WO2002081415A2 - Method for inhibiting metap2 - Google Patents

Abstract

Methods of identifying inhibitors of hMetAP2 and methods of inhibiting hMetAP2 using inhibitors with certain structural, physical and spatial characteristics, are disclosed.

Description

METHOD FOR INHIBITING METAP2

FIELD OF THE INVENTION

This invention relates to a method of inhibiting hMetAP2 by administering compounds with certain structural, physical and spatial characteristics that allow for the interaction of said compounds with specific residues of the active site of the enzyme. This interaction between the compounds of this invention and the active site inhibits the activity of hMetAP2 and these compounds are useful for treating conditions mediated by angiogenesis, such as cancer, haemangioma, proliferative retinopathy, rheumatoid arthritis, atherosclerotic neovascularization, psoriasis, ocular neovascularization and obesity. This invention also relates to the identification of the metalloprotease catalytic active site for this enzyme and methods enabling the design and selection of inhibitors of said active site.

BACKGROUND OF THE INVENTION

In 1974, Folkman proposed that for tumors to grow beyond a critical size and to spread to form metastases, they must recruit endothelial cells from the surrounding stroma to form their own endogenous microcirculation in a process termed angiogenesis (Folkman J. (1974) Adv Cancer Res. 19; 331). The new blood vessels induced by tumor cells as their life-line of oxygen and nutrients also provide exits for cancer cells to spread to other parts of the body. Inhibition of this process has been shown to effectively stop the proliferation and metastasis of solid tumors. A drug that specifically inhibits this process is known as an angiogenesis inhibitor.

Having emerged as a promising new strategy for the treatment of cancer, the anti-angiogenesis therapy ("indirect attack") has several advantages over the "direct attack" strategies. All the "direct attack" approaches such as using DNA damaging drugs, antimetabolites, attacking the RAS pathway, restoring p53, activating death programs, using aggressive T-cells, injecting monoclonal antibodies and inhibiting telomerase, etc., inevitably result in the selection of resistant tumor cells. Targeting the endothelial compartment of tumors as in the "indirect attack", however, should avoid the resistance problem because endothelial cells do not exhibit the same degree of genomic instability as tumor cells. Moreover, anti-angiogenic therapy generally has low toxicity due to the fact that normal endothelial cells are relatively quiescent in the body and exhibit an extremely long turnover. Finally since the "indirect attack" and "direct attack" target different cell types, there is a great potential for a more effective combination therapy. More than 300 angiogenesis inhibitors have been discovered, of which about 31 agents are currently being tested in human trials in treatment of cancers (Thompson, et al., (1999) J Pathol 187, 503). TNP-470, a semisynthetic derivative of fumagillin of Aspergillus fuigatus, is among the most potent inhibitors of angiogenesis. It acts by directly inhibiting endothelial cell growth and migration in vitro and in vivo (Ingber et al. (1990) Nature 348, 555). Fumagillin and TNP-470, have been shown to inhibit type 2 methionine aminopeptidase (hereinafter MetAP2) by irreversibly modifying its active site. The biochemical activity of fumagillin analogs has been shown to correlate to their inhibitory effect on the proliferation of human umbillical vein endothelial cells (HUNEC). Although the mechanism of the selective action of fumagillin and related compounds on MetAP2-mediated endothelial cell cytostatic effect has not yet been established, possible roles of MetAP2 in cell proliferation have been suggested.

First, hMetAP-2-catalyzed cleavage of the initiator methionine of proteins could be essential for releasing many proteins that, after myristoylation, function as important signaling cellular factors involved in cell proliferation. Proteins known to be myristoylated include the src family tyrosine kinases, the small GTPase ARF, the HIV protein nef and the α subunit of heterotrimeric G proteins. A recently published study has shown that the myristoylation of nitric oxide synthase, a membrane protein involved in cell apoptosis, was blocked by fumagillin (Yoshida, et al. (1998) Cancer Res. 58(16), 3751). This is proposed to be an indirect outcome of inhibition of MetAP2-catalyzed release of the glycine-terminal myristoylation substrate. Alternatively, MetAP enzymes are known to be important to the stability of proteins in vivo according to the "Ν-end rule" which suggests increased stability of methionine-cleaved proteins relative to their Ν-terminal methionine precursors (Varshavsky, A (1996) Proc. Natl Acad. Sci. U.S.A 93, 12142). Inhibition of hMetAP2 could result in abnormal presence or absence of some cellular proteins critical to the cell cycle.

Methionine aminopeptidases (MetAP) are ubiquitously distributed in all living organisms. They catalyze the removal of the initiator methionine from newly translated polypeptides using divalent metal ions as cofactors. Two distantly related MetAP enzymes, type 1 and type 2, are found in eukaryotes, which at least in yeast, are both required for normal growth; whereas only one single MetAP is found in eubacteria (type 1) and archaebacteria (type 2). The Ν-terminal extension region distinguishes the methionine aminopeptidases in eukaryotes from those in procaryotes. A 64-amino acid sequence insertion (from residues 381 to 444 in hMetAP2) in the catalytic C-terminal domain distinguishes the MetAP-2 family from the MetAP- 1 family. Despite the difference in the gene structure, all MetAP enzymes appear to share a highly conserved catalytic scaffold termed "pita-bread" fold (Bazan, et al. (1994) Proc. Natl. Acad. Sci. U.S.A. 91, 2473), which contains six strictly conserved residues implicated in the coordination of the metal cofactors.

Mammalian type 2 methionine aminopeptidase has been identified as a bifunctional protein implicated by its ability to catalyze the cleavage of N-terminal methionine from nascent polypeptides (Bradshaw, et al (1998) Trends Biochem. Sci. 23, 263) and to associate with eukaryotic initiation factor 2α (eEF-2α) to prevent its phosphorylation (Ray, et al. (1992) Proc. Natl Acad. Sci. U.S.A. 89, 539). Both the genes of human and rat MetAP2 were cloned and have shown 92% sequence identity (Wu,. et al. (1993) J Biol. Chem. 268, 10796; Li, X. & Chang, Y.-H. (1996) Biochem. & Biophys. Res. Comm. 227, 152). The N-terminal extension in these enzymes is highly charged and consists of two basic polylysine blocks and one aspartic acid block, which has been speculated to be involved in the binding of eIF-2α (Gupta, et al. (1993) in Translational Regulation of Gene Expression 2 (Ilan, J., Ed.), pp405- 431, Plenum Press, New York).

The anti-angiogenic compounds, fumagillin and its analogs, have been shown to specifically block the exo-aminopeptidase activity of hMetAP2 without interfering with the formation of the hMetAP2 : eIF2α complex (Griffith, et al., (1997) Chem.

Biol. 4, 461; Sin, et al. (1997) Proc. Natl. Acad. Sci. U.S.A. 94, 6099). Fumagillin and its analogs inactivate the enzymatic activity of hMetAP2 with a high specificity, which is underscored by the lack of effect of these compounds on the closely related type 1 methionine aminopeptidase (MetAP 1) both in vitro and in vivo in yeast (Griffith, et al., (1997) Chem. Biol. 4, 461; Sin, et al. (1997) Proc.Natl.Acad.Sci. U.S.A. 94, 6099). The extremely high potency (IC50 < 1 nM) of these inhibitors appears to be due to the irreversible modification of the active site residue, His231, of hMetAP2 (Liu, et al. (1998) Science 282, 1324). Disturbance of MetAP2 activity in vivo impairs the normal growth of yeast (Griffith, et al., (1997) Chem. Biol. 4, 461; Sin, et al. (1997) Proc. Natl. Acad. Sci. U.S.A. 94, 6099; In-house data) as well as Drosophila (Cutforth & Gaul (1999) Mech. Dev. 82, 23). Most significantly, there appears to be a clear correlation between the inhibition effect of fumagillin related compounds against the enzymatic activity of hMetAP2 in vitro and the suppression effect of these compounds against tumor-induced angiogenesis in vivo (Griffith, et al., (1997) Chem. Biol. 4, 461). Cancer is the second leading cause of death in the U.S., exceeded only by heart disease. Despite recent successes in therapy against some forms of neoplastic disease, other forms continue to be refractory to treatment. Thus, cancer remains a leading cause of death and morbidity in the United States and elsewhere (Bailar and Gornik ( 1997) N Engl J Med 336, 1569). Inhibition of hMetAP2 provides a promising mechanism for the development of novel anti-angiogenic agents in the treatment of cancers.

Surprisingly, it has been found that a broad, structurally diverse series of compounds have structural, physical and spatial characteristics that allow for the interaction of said compounds with specific residues of the active site of hMetAP2 and are useful for treating diseases mediated by angiogenesis, such as cancer, haemangioma, proliferative retinopathy, rheumatoid arthritis, atherosclerotic neovascularization, psoriasis, ocular neovascularization and obesity. Thus, this invention relates to the method of inhibiting hMetAP2 using compounds having the characteristics hereinbelow defined.

SUMMARY OF THE INVENTION

In one aspect, the present invention provides a method for inhibiting hMetAP2 by administering compounds with certain structural, physical and spatial characteristics that allow for the interaction of said compounds with specific residues of the active site of the enzyme. This interaction inhibits the activity of hMetAP2 and, thus, enables treatment of diseases in which angiogenesis is a factor, for example, cancer, haemangioma, proliferative retinopathy, rheumatoid arthritis, atherosclerotic neovascularization, psoriasis, ocular neovascularization and obesity. In another aspect, the invention provides a method for identifying inhibitors of the compositions described above which method involves the steps of: providing the coordinates of the metalloprotease structure of hMetAP2 to a computerized modeling system; identifying compounds which will bind to the structure; and screening the compounds or analogs derived therefrom identified for hMetAP2 inhibitory bioactivity.

In yet another aspect, this invention provides crystallized molecules and molecular complexes which comprise one or more of the active site binding pockets of hMetAP2 or close structural homologues to the binding pockets.

In still another aspect, this invention provides a data storage medium encoded with the corresponding structure coordinates of those crystallized molecules or molecular complexes. Such data storage material is capable of displaying such molecules and molecular complexes as a graphical three-dimensional representation on a computer screen.

In a further aspect, this invention provides methods of using the structure coordinates and atomic details of hMetAP2 to screen, evaluate computationally, design and synthesize inhibitors that bind to hMetAP2, its mutants or homologues thereof, and that avoid the undesirable physical and pharmacologic properties of hMetAP2.

Other aspects and advantages of the present invention are described further in the following detailed description of the preferred embodiments thereof.

Brief Description of the Drawings Figure 1 is a ribbon diagram of hMetAP2. The amino and carboxyl-termini are indicated by N and C. The drawing was produced using the program MOLSCRIPT [Kraulis, P., J. Appl. Crystallogr., 24, 946-950 (1991)]. Figure 2 is an illustration of the active site of hMetAP2.

Figure 3 is a stereoview of the active site of hMetAP2. For clarity, no hydrogen atoms or water molecules are shown.

Figures 4, 6, 8, 10, 12, 14, 16, 18 and 20 are illustrations of the active site of hMetAP2 in complex with novel inhibitors of hMetAP2. (Figure 4: Inhibitor = 4-(4- methylphenyl)-lH-l,2,3-triazole; Figure 6: Inhibitor = 3-anilino-5-[2-(phenyl)ethyl]- 1,2,4-triazole; Figure 8: Inhibitor = 3-methylacetate-3-anilino-5-benzylthio- 1,2,4- triazole; Figure 10: Inhibitor = 3-(2-isopropyl-anilino)-5-(thiophen-2-ylthio)- 1,2,4- triazole; Figure 12: Inhibitor = 4-(3-methylphenyl)-lH-l,2,3-triazole; Figure 14: Inhibitor = 4-(2-chlorophenyl)-lH-l,2,3-triazole; Figure 16: Inhibitor = 3-Benzyl-5- (benzylthio)-l,2,4-triazole; Figure 18: Inhibitor = 3-anilino-5-benzylthio- 1,2,4- triazole; Figure 20: Inhibitor = lH-naptho[l,2-J]-l,2,3-triazole. These views depict the interaction of each inhibitor with all atoms of residues of the active site of human methionineaminopeptidase-2 within 5 A of the inhibitors. For clarity, no hydrogen atoms or water molecules are shown. The 2 active site metal atoms are represented as spheres.

Figures 5, 7, 9, 11, 13, 15, 17, 19 and 21 are stereoviews of the active site of human methionineaminopeptidase-2 in complex with novel inhibitors of human methionineaminopeptidase-2. (Figure 5: Inhibitor = 4-(4-methylphenyl)-lH- 1,2,3- triazole; Figure 7: Inhibitor = 3-anilino-5-[2-(phenyl)ethyl]-l,2,4-triazole; Figure 9: Inhibitor = 3-methylacetate-3-anilino-5-benzylthio-l ,2,4-triazole; Figure 11 : Inhibitor = 3-(2-isopropyl-anilino)-5-(thiophen-2-ylthio)-l,2,4-triazole; Figure 13: Inhibitor = 4-(3-methylphenyl)-lH-l,2,3-triazole; Figure 15: Inhibitor = 4-(2-chlorophenyl)-lH- 1,2,3-triazole; Figure 17: Inhibitor = 3-Benzyl-5-(benzylthio)-l,2,4-triazole; Figure 19: Inhibitor = 3-anilino-5-benzylthio-l,2,4-triazole; Figure 21: Inhibitor = 1H- naptho[l,2-d]-l,2,3-triazole. These figures are stereo drawings of the interaction of each inhibitor with all atoms of residues of the active site of human methionineaminopeptidase-2 within 5 A of the inhibitors. Water molecules and the 2 active site metal atoms are shown as crosses in the figures.

Table I provides the three dimensional protein coordinates of the human methionineaminopeptidase-2 crystalline structure of the invention. Tables II-X provide the three dimensional coordinates for the human methionineaminopeptidase-2 complex with specific inhibitors of the present invention; Table II 4-(4-methylphenyl)-lH-l,2,3-triazole; Table III: Inhibitor = 3- anilino-5-[2-(phenyl)ethyl]-l,2,4-triazole; Table IV: Inhibitor = 3-methylacetate-3- anilino-5-benzylthio-l,2,4-triazole; Table V: Inhibitor = 3-(2-isopropyl-anilino)-5- (thioρhen-2-ylthio)-l,2,4-triazole; Table VI: Inhibitor = 4-(3-methylphenyl)-lH- 1,2,3- triazole; Table VII: Inhibitor = 4-(2-chlorophenyl)-lH-l,2,3-triazole; Table VIII: Inhibitor = 3-Benzyl-5-(benzylthio)-l,2,4-triazole; Table IX: Inhibitor = 3-anilino-5- benzylthio-l,2,4-triazole; Table X: Inhibitor = lH-naptho[l,2- ]-l,2,3-triazole.

DETAILED DESCRIPTION OF THE INVENTION

The present invention provides a method of using a crystalline form of the hMetAp2 protein to form an inhibitor complex at the protein's active site with a protein inhibitor, wherein such method utilizes the crystalline form and the active site to identify protein inhibitor compounds. The term "binding pocket" as used herein refers to a region of a molecule or molecular complex, that, as a result of its shape, favorably associates with another chemical entity or compound.

The terms "active site binding pocket" or "active site of hMetAP2" as used herein, independently refer to the site where N-terminal methionine cleavage from a peptide substrate occurs. In resolving the crystal structure of hMetAP2, applicants have determined that hMetAP2 amino acids are situated close enough to a peptide molecule present in the active site (within 5A) to interact with it. It will be readily apparent to those of skill in the art that the numbering of amino acids in other isoforms of hMetAP2 may be different than that isolated from human endothelial cells. The terms "associating with" or "association between" as used herein, independently refer to a condition of proximity between a chemical entity or compound, or portions thereof, and an hMetAP2 molecule, or portions thereof. The association may be non-covalent - wherein the juxtaposition is energetically favored by hydrogen bonding or van deer Walls or electrostatic interactions - or it may be covalent.

The term "electrophilic atom" as used herein refers to an electron deficient atom. This term includes, an oxygen, nitrogen or sulfur atom.

The term "hydrogen bonding" as used herein refers to an association between a hydrogen atom of one molecule and two unshared electrons of another molecule, wherein the intra-atomic distance is between 3.0 - 6.0 angstroms (hereinafter "A"). The term "hydrophobic interaction" as used herein refers to a contact between hydrophobic groups or atoms, such as non-polar or polarizable atoms, e.g., aromatic ring atoms, such as C, N, O or S, or aliphatic non-polar atoms, such as C, H, or S, with a residue where contact defines an interatomic distance between 3.3 - 5.5A. Amino Acid Abreviations :

A = Ala = Alanine T = Th = Threonine

V = Val = Valine C = Cys = Cysteine

L = Leu = Leucine Y = Thr = Tyrosine

I = lie = Isoleucine N = Asn = Asparagine P = Pro = Proline Q = Gin = Glutamine

F = Phe = Phenylalanine D = Asp = Aspartic Acid

W = Trp = Tryptophan E = Glu = Glutamic Acid

M = Met = Methionine K = Lys = Lysine

G = Gly = Glycine R = Arg = Arginine S = Ser = Serine

The design of compounds that bind to or inhibit hMetAP2 according to this invention generally involves consideration of two factors. First, the compound must be capable of physically and structurally associating with hMetAP2. Non-covalent molecular interactions important in the association of hMetAP2with its substrate include hydrogen bonding, van der Waals and hydropobic interactions.

Second, the compound must be able to assume a conformation that allows it to associate with hMetAP2. Although certain portions of the compound will not directly participate in this association with hMetAP2, those portions may still influence the overall conformation of the molecule. This may have a significant impact on potency. Such conformational requirements include the overall three-dimensional structure and orientation of the chemical entity or compound in relation to all or a portion of the binding sites, e.g., active site or accessory binding site of hMetAP2, or the spacing between functional groups of a compound comprising several chemical entities that directly interact with hMetAP2. Specifically, the inhibitors of hMetAP2 used in the present invention comprise one or two heteroatoms, wherein the inhibitors interact with any one or more of the following:

1. interaction, singly, or jointly as a pair, to one or both metals in the active site of hMetAP2, wherein the metals are selected from cobalt, zinc, manganese, iron and nickel, and wherein the heteroatoms are 1.5 - 3.5A from the closest metal;

2. hydrogen bonding interactions with histidine 231 ;

3. hydrophobic interactions with the atoms of two or more of the amino acid residues selected from tyrosine 444, histidine 231, histidine 382, alanine 414, tyrosine 383, phenylalanine 219, proline 220, methionine 384, glycine 222, and isoleucine 338;

4. hydrophobic interactions with one or more of the residues selected from histidine 339, isoleusine 338 or tyrosine 444;

5. hydrogen bonding interactions with asparagine 315; and

6. hydrophobic interactions with one or more of the residues selected from leucine 328, leucine 447, histidine 231 , or alanine 230.

Preferably, the inhibitors of hMetAP2 used in the present invention interact with any two or more of the above-identified regions of the active site.

Suitably, the compounds used in the methods of the present invention include a 5- or 6-membered aromatic heterocyclic ring structure, wherein there is at least one heteroatom in the ring.

With respect to the hydrophobic interaction with His 339 it will be understood that His 339 of hMetAP2 may be found in multiple confirmations. Therefore, an interaction at the His 339 residue may be with any one of the various sidechain rotomeric angle confirmations of His 339. The key structural features of the inhibitors of the present invention include a heterocycle group, preferably a 1,2,3-triazole or a 1,2,4-triazole ring system, and a hydrophobic group. These features must be able to make the appropriate interactions with the hMetAP2 active site.

Suitably, the method of inhibiting hMetAP2 of the present invention comprises administering to a mammal, preferably a human, in need thereof a compound that fits spatially into the active site of hMetAP2, said compound comprising one or two heteroatoms, wherein the compound has any one or more of the following interactions. i) An interaction singly, or jointly as a pair, to one or both metals in the active site of hMetAP2, wherein said heteroatom is 1.5 - 3.5A from the closest metal. Preferably the heteroatom is 1.7 - 2.4A from the closest metal. ii) An atom capable of hydrogen bonding such as oxygen, nitrogen or sulfur, that interacts with histidine 231 , such that the distance between the atom and histidine 231 is 2.2 - 4.5A, preferably 2.4 - 3.2A. iii) A hydrophobic group that interacts with a residue selected from tyrosine 444, histidine 231, histidine 382, alanine 414, tyrosine 383, phenylalanine 219, proline 220, methionine 384, isoleucine 338, and glycine 222, such that the distance between the hydrophobic group atom and the residue is 2.2 - 4.5A, preferably 2.4 - 3.2 A. iv) A hydrophobic group that interacts with isoleucine 338, tyrosine 444 or histidine 339, wherein histidine 339 may exist in one of at least three different conformations selected from the following pairs of sidechain rotameric angles chi- 1 and chi-2: (-164,177), (-150,-133), or (-70,-149). v) A group capable of hydrogen bonding such as a carbonyl oxygen or an ether oxygen that interacts with asparagine 315. vi) A hydrophobic group such as a methyl group in contact with leucine 328, leucine 447, histidine 231, or alanine 230, such that the distance between the hydrophobic group and the residue is 3.4 - 5.θA.

Suitably, the method of inhibiting hMetAP2 of the present invention comprises administering to a mammal, preferably a human, in need thereof, a compound that fits spatially into the active site of hMetAP2, said compound comprising one or two heteroatoms and which has the following interactions (i) an interaction, singly, or jointly as a pair, to one or both metals in the active site of hMetAP2, wherein the metals are selected from cobalt, zinc, manganese, iron and nickel, and wherein the heteroatoms are 1.5 - 3.5A from the closest metal, or (ii) a hydrophobic interaction with a residue selected from tyrosine 444, histidine 231, histidine 382, alanine 414, tyrosine 383, phenylalanine 219, proline 220, methionine 384, isoleucine 338, and glycine 222, such that the distance between the hydrophobic group atom and the residue is 2.2 - 4.5A, preferably 2.4 - 3.2A. Preferably, the metal in the active site is cobalt or zinc. Alternatively, the method of inhibiting hMetAP2 of the present invention comprises administering to a mammal, preferably a human, in need thereof, a compound that fits spatially into the active site of hMetAP2, said compound comprising one or two heteroatoms and which has the following interactions: (1) (i) an interaction, singly, or jointly as a pair, to one or both metals in the active site of hMetAP2, wherein the metals are selected from cobalt, zinc, manganese, iron and nickel, and wherein the heteroatoms are 1.5 - 3.5A from the closest metal, or (ii) a hydrophobic interaction with a residue selected from tyrosine 444, histidine 231 , histidine 382, alanine 414, tyrosine 383, phenylalanine 219, proline 220, methionine 384, isoleucine 338, and glycine 222, such that the distance between the hydrophobic group atom and the residue is 2.2 - 4.5A, preferably 2.4 - 3.2A; and (2) an additional interaction selected from: (i) a hydrogen bonding interaction with histidine 231 ; (ii) a hydrophobic interaction with isoleucine 338, tyrosine 444 or histidine 339, wherein histidine 339 may exist in one of at least three different conformations selected from the following pairs of sidechain rotameric angles chi-1 and chi-2:(-164,177),

(-150,-133), or (-70,-149); (iii) a hydrogen bonding interaction wherein a group such as a carbonyl oxygen or an ether oxygen interacts with asparagine 315; and (vi) a hydrophobic interaction bewteen a group such as a methyl group in contact with leucine 328, leucine 447, histidine 231, or alanine 230, such that the distance between the hydrophobic group and the residue is 3.4 - 5.0 A.

Alternatively, the method of inhibiting hMetAP2 of the present invention comprises administering to a mammal, preferably a human, in need thereof, a compound that fits spatially into the active site of hMetAP2, said compound comprising one or two heteroatoms and which has the following interactions: (1) (i) an interaction, singly, or jointly as a pair, to one or both metals in the active site of hMetAP2, wherein the metals are selected from cobalt, zinc, manganese, iron and nickel, and wherein the heteroatoms are 1.5 - 3.5A from the closest metal, or (ii) a hydrophobic interaction with a residue selected from tyrosine 444, histidine 231, histidine 382, alanine 414, tyrosine 383, phenylalanine 219, proline 220, methionine 384, isoleucine 338, and glycine 222, such that the distance between the hydrophobic group atom and the residue is 2.2 - 4.5A, preferably 2.4 - 3.2A; and (2) and at least two additional interactions selected from: (i) a hydrogen bonding interaction with histidine 231; (ii) a hydrophobic interaction with isoleucine 338, tyrosine 444 or histidine 339, wherein histidine 339 may exist in one of at least three different conformations selected from the following pairs of sidechain rotameric angles chi-1 and chi-2:(-164,177), (-150,-133), or (-70,-149); (iii) a hydrogen bonding interaction wherein a group such as a carbonyl oxygen or an ether oxygen interacts with asparagine 315; and (vi) a hydrophobic interaction bewteen a group such as a methyl group in contact with leucine 328, leucine 447, histidine 231, or alanine 230, such that the distance between the hydrophobic group and the residue is 3.4 - 5.θA. Alternatively, the method of inhibiting hMetAP2 of the present invention comprises administering to a mammal, preferably a human, in need thereof, a compound that fits spatially into the active site of hMetAP2, said compound comprising one or two heteroatoms and which has the following interactions: (1) (i) an interaction, singly, or jointly as a pair, to one or both metals in the active site of hMetAP2, wherein the metals are selected from cobalt, zinc, manganese, iron and nickel, and wherein the heteroatoms are 1.5 - 3.5A from the closest metal, or (ii) a hydrophobic interaction with a residue selected from tyrosine 444, histidine 231, histidine 382, alanine 414, tyrosine 383, phenylalanine 219, proline 220, methionine 384, isoleucine 338, and glycine 222, such that the distance between the hydrophobic group atom and the residue is 2.2 - 4.5A, preferably 2.4 - 3.2A; and (2) at least one additional interaction selected from: (i) a hydrogen bonding interaction with histidine 231; (ii) a hydrophobic interaction with isoleucine 338, tyrosine 444 or histidine 339, wherein histidine 339 may exist in one of at least three different conformations selected from the following pairs of sidechain rotameric angles chi-1 and chi-2:(-164,177), (-150,-133), or (-70,-149); (iii) a hydrogen bonding interaction wherein a group such as a carbonyl oxygen or an ether oxygen interacts with asparagine 315; and (vi) a hydrophobic interaction bewteen a group such as a methyl group in contact with leucine 328, leucine 447, histidine 231, or alanine 230, such that the distance between the hydrophobic group and the residue is 3.4 - 5.θA. Compounds used in the method of the present invention include, but are not limited to, the following: 4-(4-methylphenyl)-lH-l,2,3-triazole; 3-anilino-5-[2-(phenyl)ethyl]-l,2,4-triazole; 3-methylacetate-3-anilino-5-benzylthio- 1 ,2,4-triazole; 3-(2-isopropyl-anilino)-5-(thiophen-2-ylthio)- 1 ,2,4-triazole; 4-(3-methylphenyl)- IH- 1 ,2,3-triazole; 4-(2-chlorophenyl)- IH- 1 ,2,3-triazole; 3-Benzyl-5-(benzylthio)-l,2,4-triazole; 3-anilino-5-benzylthio- 1 ,2,4-triazole; and lH-naptho[l,2- ]-l,2,3-triazole, or a pharmaceutically active salt or solvate thereof. The compounds used in the method of the present invention include, but are not limited to, the compounds of formula (I), or a pharmaceutically active salt or solvate thereof:

Formula I wherein: n is 1 or 2;

A, B, D and E are independently selected from C, O, N, and S; R is up to 5 variables selected independently from -H, -OH, Ar-C()-6alkyl-,

Het'-Co-6 alkyl-, optionally substituted Cι _6alkyl, C₂_6alkenyl, C₂_galkynyl, optionally substituted Het-Crj-όalkyl-, C3_7cycloalkyl-Co-6alkyl-, Ci .galkoxy, -S-C^.galkyl, optionally substituted Ar -Cø-όalkoxy-, Het'-C₍)-6alkoxy-, -NR4R5₅ Hef-S-Co-βalkyl-, -(CH₂)i-₆OH, -(CH₂)I _₆NR4R5, -O(CH₂)ι.₆NR⁴R⁵, -(CH₂)o-6CO₂R⁶, -O(CH₂)₁.₆CO₂ R6, -(CH₂)i-6SO₂R⁶,

-SR^, -OR , -CF3 -OCF3, or halogen and Ph or Het' are substituted with one or more of C galkyl, Ci .galkoxy, -(CH₂)!.₆NR⁴R⁵, -O(CH₂)i-6NR⁴R⁵, -CO₂R⁶, CF₃ or halogen; or R is -C₀-6alkyl-C(O)XAB, -C()-6alkyl-S(O)₂X'AB, -CQ-6alkyl-X'AB, wherein X' is O, S, C or N, and wherein, A and B are independently selected from H, optionally substituted Ci .galkyl, C3_6alkenyl, C3_6alkynyl, optionally substituted Ar-Co-6^alkyl-, optionally substituted Het-Co-6 lkyl-, or C3_7cycloalkyl-Cθ-6^alkyl-; or two R groups can be connected to form a 5- to 7-membered staurated or unsaturated, carbocyclic or heterocyclic ring; or R is a moiety of formula (II),

Formula II

wherein Q is a 5- or 6-membered monocyclic ring optionally containing up to two heteroatoms selected from N, O, or S, or an 8- to 11-membered fused bicyclic ring optionally containing up to four heteroatoms selected from N, O, or S; Ri and R^ are independently selected from H-, Ph-Co-6^alkyl-, Het-Co-6 alkyl-, Chalky!-, Cι _6alkoxy-, -S-C galkyl-, Ph-Cø-όalkoxy-, Het-CQ-6alkoxy-, HO-, R⁴R5N-, Het-S-Co_6alkyl-, Ph-S-CQ-όalkyl-, HO(CH₂)ι_6-, R⁴R⁵N(CH₂) .₆-, R R (CH₂)₂.₆O-, R6cO₂(CH₂)o-6-, R⁶CO₂(CH₂)₁.₆O-, R6SO₂(CH₂)!.₆-, -CF3, -OCF3, or halogen, and Ph or Het are substituted with up to five of C₂_6alkyl-, Cι _₆alkoxy-, R⁴R⁵N(CH₂)!_₆-, R⁴R⁵N(CH₂)2-6⁰-> -CO₂R⁶, -CF3 or, halogen; R⁴, R5, and R° are independently selected from H-, optionally substituted Ci .galkyl, C3_galkenyl, C3_6alkynyl, optionally substituted Ar-C()-6^alkyl-, optionally substituted Het-C()-6alkyl-, or C3_7cycloalkyl-Co-6alkyl-, -C()-6alkyl-C(O)X'AB, -Co-6alkyl-S(O)₂X'AB, -Cθ-6alkyl-X'AB, wherein X' is O, S, C or N; A and B are independently H, optionally substituted Ci .galkyl, C3_ alkenyl, C3_6alkynyl, optionally substituted Ar-C()-6alkyl-, optionally substituted Het-Cø-galkyl-, or C3-7cycloalkyl-Cθ-6alkyl-; and

R⁷ is optionally substituted Cι _6alkyl, C3_6alkenyl, C3_6alkynyl, optionally substituted Ar-C()-6^alkyl-, optionally substituted Het-Co_6alkyl-, C3-7cycloalkyl-Cθ-6^alkyl-.

The term "Ci -6alkyl" as used herein at all occurrences means a substituted and unsubstituted, straight or branched chain radical of 1 to 6 carbon atoms, unless the chain length is limited thereto, including, but not limited to methyl, ethyl, n-propyl, isopropyl, n-butyl, isobutyl and t-butyl, pentyl, n-pentyl, isopentyl, neopentyl and hexyl and the simple aliphatic isomers thereof. Any Ci-6alkyl group may be optionally substituted independently by one or more of -OR⁴, -R⁴, -NR⁴R5. CQalkyl means that no alkyl group is present in the moiety. Thus, Ar-Cgalkyl- is equivalent to Ar. The term "C3_7cycloalkyl" as used herein at all occurrences means substituted or unsubstituted cyclic radicals having 3 to 7 carbons, including but not limited to cyclopropyl, cyclopentyl, cyclohexyl and cycloheptyl radicals.

The term "C₂-6alkenyl" as used herein at all occurrences means an alkyl group of 2 to 6 carbons wherein a carbon-carbon single bond is replaced by a carbon-carbon double bond. C₂-6alkenyl includes ethylene, 1-propene, 2-propene, 1-butene, 2-butene, isobutene and the several isomeric pentenes and hexenes. Both cis and trans isomers are included within the scope of this invention. Any C₂-6alkenyl group may be optionally substituted independently by one or more of Ph-Co-6^alkyl-, Het -Co-6 alkyl-, Cj.galkyl,

-S-Cι.6alkyl, Ph-Cθ-6^alkoxy-, Het'-Cø-ό^koxy-, -OH, -NR⁴R5, Het'-S-C₀-6^alkyl-, -(CH^j^OH, (CH₂)!.₆NR R5, -O(CH₂)!.₆NR⁴R5, -(CH₂)₀.₆CO₂R6, -θ(CH₂)ι _₆CO₂R⁶, -(CH₂)₁.₆SO₂R⁷, -CF₃, -OCF3 or halogen.

The term "C2-6 lkynyl" as used herein at all occurrences means an alkyl group of 2 to 6 carbons wherein one carbon-carbon single bond is replaced by a carbon-carbon triple bond. C -6 alkynyl includes acetylene, 1-propyne, 2-propyne, 1-butyne, 2-butyne, 3-butyne and the simple isomers of pentyne and hexyne.

The terms "Ar" or "aryl" as used herein interchangeably at all occurrences mean phenyl and naphthyl, optionally substituted by one or more of Ph-C()-6^aikyl, Het'-Co-6 alkyl-, Cι _6alkyl, Ci .βalkoxy-, -S-Cj.όalkyl, Ph-C()-6^alkoxy-, Het'-C₀-6alkoxy-, -OH, -NR⁴R⁵, Het -S-C₀-6alkyl-, -(CH₂)i_6OH,

-(CH₂)!.₆NR⁴R5, -O(CH₂)!.₆NR⁴R5, -(CH₂)₀.₆CO₂R6, -O(CH₂) _I _₆CO₂R6, -(CH₂) 6SO₂, -CF3, -OCF3 or halogen; Ph and Het may be optionally substituted with one or more of Ci .galkyl, Ci .galkoxy-, -OH, -(CH₂)ι_6NR⁴R⁵, -O(CH₂)i _6NR⁴R⁵, -CO₂R⁶, -CF3, or halogen; two Cι _6^alkyl or Ci .galkoxy groups may be combined to form a 5-7 membered ring, saturated or unsaturated, fused onto the Ar ring (e.g., to form a divalent alkylene or alkylenedioxy moiety attached to adjacent positions on the Ar ring).

The terms "Het" or "heterocyclic" as used herein interchangeably at all occurrences, mean a stable 5- to 7-membered monocyclic, a stable 7- to 10-membered bicyclic, or a stable 11- to 18-membered tricyclic heterocyclic ring all of which are either saturated or unsaturated, and which consist of carbon atoms and from one to three heteroatoms selected from the group consisting of N, O and S, and wherein the nitrogen and sulfur heteroatoms may optionally be oxidized, and the nitrogen heteroatom may optionally be quaternized, and including any bicyclic group in which any of the above-defined heterocyclic rings is fused to a benzene ring. The heterocyclic ring may be attached at any heteroatom or carbon atom which results in the creation of a stable structure, and may optionally be substituted with one or more of C^alkyl, C₁.₆alkoxy, -OH, -(CH )!_₆NR R⁵, -O(CH₂)ι _₆NR⁴R⁵, -CO R⁶, -CF3, or halogen. Examples of such heterocycles include, but are not limited to piperidinyl, piperazinyl, 2-oxopiperazinyl, 2-oxopiperidinyl, 2-oxopyrrolodinyl, 2-oxoazepinyl, azepinyl, pyrrolyl, 4-piperidonyl, pyrrolidinyl, pyrazolyl, pyrazolidinyl, imidazolyl, pyridinyl, pyrazinyl, oxazolidinyl, oxazolinyl, oxazolyl, isoxazolyl, morpholinyl, thiazolidinyl, thiazolinyl, thiazolyl, quinuclidinyl, indolyl, quinolinyl, isoquinolinyl, benzimidazolyl, benzopyranyl, benzoxazolyl, furyl, pyranyl, tetrahydrofuryl, tetrahydropyranyl, thienyl, benzoxazolyl, benzofuranyl, benzothiophenyl, thiamorpholinyl sulfoxide, thiamorpholinyl sulfone, and oxadiazolyl, triazolyl, thiadiazolyl, oxadiazolyl, isoxazolyl, isothiazolyl, imidazolyl, pyridazinyl, pyrimidinyl and triazinyl which are available by routine chemical synthesis and are stable. Het' is defined as for Het and may be optionally substituted by one or more of

Cι _₆alkyl, Ci^alkoxy-, -OH, -(CH₂)!_₆NR⁴R⁵, -O(CH₂)!_6NR⁴R⁵, -CO₂R⁶,

-CF3, or halogen.

The terms "hetero" or "heteroatom" as used herein interchangeably at all occurrences mean oxygen, nitrogen and sulfur. The terms "halo" or "halogen" as used herein interchangeably at all occurrences mean F, Cl, Br, and I.

Here and throughout this application the term CQ denotes the absence of the substituent group immediately following; for instance, in the moiety ArCQ-6alkyl-, when C is 0, the substituent is Ar, e.g., phenyl. Conversely, when the moiety ArCø-6alkyl- is identified as a specific aromatic group, e.g., phenyl, it is understood that C is 0.

Further, it will be understood that when a moiety is "optionally substituted" the moiety may have one or more optional substituents, each optional substituent being independently selected. Compounds of formula (I) include substituted heterocyclic moieties, including, but not limited to, pyrrole, pyrazole, imidazole, oxazole, thiazole, isoxazole, isothiazole, 1,2,3-triazole, 1,2,4-triazole, 1,2,3-oxadiazole,

1,2,4-oxadiazole, 1,2,5-oxadiazole, 1,3,4-oxadiazole, 1,2,3-thiadiazole,

1,2,4-thiadiazole, 1,2,5-thiadiazole, 1,3,4-thiadiazole, pyridine, diazine, pyrimidine, pyrazine, 1,2,3-triazine, 1,2,4-triazine, 1,3,5-triazine. It will be understood that the R groups defined above can be attached at any carbon atom of the heterocycles forming part of this invention.

Methods of Preparation Compounds of the formula (I) wherein A, D and E are each Nitrogen, B is

Carbon, R is independently -NR⁴R5 and -SR⁷, and n is 1, were prepared by methods analogous to those described in Scheme 1. Scheme 1

2

a) Thiourea, NaOH, H₂O/CH₃CN; b) Etl, Et₃N, DMF; c) H₂NNH₂, EtOH; d) R⁷X (X = halogen), K₂CO₃, DMF; e) ClCH₂OCH₂CH₃, NaH, THF; f) R⁵CH₂Br, NaH, DMF; g) TFA.

An isothiocyanate (such as phenyl isothiocyanate) (1 -Scheme 1) was treated with thiourea and sodium hydroxide in acetonitrile/water to provide 2-Scheme 1, which was treated with iodoethane and triethylamine in DMF to afford 3-Scheme 1. Treatment of 3-Scheme 1 with hydrazine in ethanol provided 4-Scheme 1, which was treated with an alkyl halide (such as benzyl bromide or 4-chlorobenzyl chloride) and potassium carbonate in DMF to give 5-Scheme 1. Triazole 5-Scheme 1 is protected as the methoxy methylethyl ether to afford 6-Scheme 1. Alkylation of 6-Scheme 1 with an alkyl halide (such as methyliodide, ethyliodide, /-isobutyl iodide, n- propyliodide, butyliodide, allylbromide, benzylbromide, and methyl bromoacetate) afforded the desired tertiary amine 7-Scheme 1. Deprotection of the MOM-ether 7- Scheme 1 with trifluoroacetic acid (TFA) provided the desired product 8-Scheme 1.

Compounds of the formula (I) wherein A, D and E are each Nitrogen, B is Carbon, R is independently -NR⁴R^ and -OR⁷, and n is 1, may be prepared by methods analogous to those described in Scheme 2. Scheme 2

a) Thiourea, Etl, EtOH; b) NH₂NH₂, EtOH c) 1 , 1 "-Carbonyldiimidazole, EtOH; d) R⁷X (X = halogen), K₂CO₃, DMF; e) ClCH₂OCH₂CH₃, NaH, THF; f) R⁵CH₂Br, NaH, DMF; g) TFA.

A thiourea (such as phenylthiourea) (8-Scheme 2) may be treated with ethyl iodide and refluxed in EtOH, and the resulting S-ethyl thiourea is then heated in the presence of hydrazine to provide 9-Scheme 2. The hydrazine 9-Scheme 2 is treated with carbonyldiimidazole and heated to afford 10-Scheme 2. Treatment of 10- Scheme 2 with an alkyl halide (such as benzyl bromide or 4-chlorobenzyl chloride) and potassium carbonate in DMF gives 11-Scheme 2. Triazole 11-Scheme 2 is protected as the methoxy methylethyl ether to afford 12-Scheme 2. Alkylation of 12- Scheme 2 with an alkyl halide (such as methyliodide, ethyliodide, j^'-isobutyl iodide, n- propyliodide, butyliodide, allylbromide, benzylbromide, and methyl bromoacetate) affords the desired tertiary amine 13-Scheme 2. Deprotection of the MOM-ether 13- Scheme 2 with trifluoroacetic acid (TFA) provides the desired product 14-Scheme 2.

Compounds of the formula (I) wherein B, D and E are each Nitrogen, A is Carbon, R is a moiety of formula (II), and n is 1, were prepared by methods analogous to those described in Scheme 3.

P(O)(OMe)₂C(N₂)C(O)CH₃ , K₂CO , MeOH b) 1. Me₃SiN₃, PhCH₃, 110 °C; 2. H₂O.

An aldehyde (such as 2-thiophenecarboxaldehyde) (1-Scheme 3) was treated with l-diazo-2-oxopropylphosphonate and potassium carbonate in dry methanol to provide 2-Scheme 3. Treatment of the acetylene (such as 2-ethynylthiophene) (2- Scheme 3) with azidotrimethylsilane in refluxing toluene, followed by addition of water afforded 3-Scheme 3.

Compounds of the formula (I) wherein B, D and E are each Nitrogen, A is Carbon, R is a moiety of formula (II), n is 1, and R^ is NHR⁴ were prepared by methods analogous to those described in Scheme 4.

Scheme 4

a) R4-C(O)H, Na(OAc)₃BH, C1CH₂CH₂C1, AcOH b) 1. Me₃SiN₃, PhCH₃, 110 °C; 2. H₂O.

An alkynyl aniline (such as 3-ethynylphenylamine) was substituted by a reductive amination reaction with an aldehyde to provide 5-Scheme 4. Treatment of the acetylene (5-Scheme 4) with azidotrimethylsilane in refluxing toluene, followed by addition of water afforded 6-Scheme 4.

Compounds of the formula (I) wherein wherein A, D and E are each Nitrogen, B is Carbon, R is independently -NR⁴R5 and optionally substituted Ci .galkyl, C₂_ 6alkenyl, C₂_6^alkynyl, optionally substituted Ar-Ci .galkyl, optionally substituted Het-Cι _6^alkyl, or optionally substituted C3_7cycloalkyl-Cι _6alkyl, and n is 1, were prepared by methods analogous to those described in Scheme 5. Scheme 5

³ a) Etl,

Et₃N, DMF; b) R³CONHNH₂, pyridine, 85 °C; c) R³CO₂H, HOBT, DCC, CH₂C1₂; d) NH₂NH₂, acetonitrile, 85 °C. A thiourea (such as l-(2-methylphenyl)thiourea, l-(4-methylphenyl)-thiourea, l-(4-fluorophenyl)thiourea, l-(4-methoxyphenyl)thiourea, l-(2-pyridyl)thiourea, l-(2- isopropylphenyl)-thiourea, 3,4-dihydro-2H-quinoline-l-carbothioic acid amide) (1- Scheme 5) was treated with iodoethane and triethylamine in DMF to afford 2-Scheme 5. Treatment of 2-Scheme 5 with an acyl-hydrazide (such as 3-phenyl-propionic hydrazide and thiophen-2-ylsulfanyl-acetic acid hydrazide) in pyridine provided the triazole I-Scheme 5. Alternatively, the S-ethylisothiourea 2-Scheme 5 could be acylated with a carboxylic acid (such as 2-methyl-3-phenyl-propanoic acid, 3- cyclohexylpropionic acid, 3-(2-thienyl)propanoic acid, phenylsulfanyl-acetic acid) under standard coupling conditions to afford the amide 3-Scheme 5. Treatment of amide 3-Scheme 5 with hydrazine in ethanol afforded the triazole I-Scheme 5. Compounds of the formula I wherein A, D and E are each Nitrogen, B is Carbon, R is independently -SR⁷, -OR⁷ or optionally substituted Ci _6alkyl, C₂- galkenyl, C₂.galkynyl, optionally substituted Ar-Co-6^alkyl, optionally substituted Ηet-C()-6alkyl, or optionally substituted C3_7cycloalkyl-Cθ-6^alkyl, and n is 1 , are prepared by methods analogous to those described in Scheme 6. Scheme 6

a)

HCl, MeOH; b) NH₂NH₂, MeOH; c) N-benzoyl isothiocyanate or N-benzoyl isocyanate EtOH, 85 °C; d) 4 N NaOH, EtOH, 85 °C; e) NaH, R-CH₂-SR⁷ or R-CH₂-OR⁷, DMF.

A carboxylic acid (such as 2-methyl-phenyl acetic acid, 3-methyl-phenyl acetic acid, 2-methoxy-phenyl acetic acid, 4-methoxy-phenyl acetic acid, 4-chloro- phenyl acetic acid, 2-pyridyl acetic acid, 4-dimethylamino-phenyl acetic acid, 1- indancarboxylic acid, and 2-thiophene acetic acid) (1-Scheme 6) was heated in cone. HCl and MeOH to afford the corresponding methyl ester. The ester was subsequently treated with anhydrous hydrazine in MeOH to provide the hydrazide 2-Scheme 6. The hydrazide 2-Scheme 6 was then treated with N-benzoyl isothiocyanate or N- benzoyl isocyanate to afford the carbazide 3-Scheme 6. Treatment of carbazide 3- Scheme 6 with 4 NaOH in ethanol afforded the mercapto-triazole 4-Scheme 6. Treatment of the triazole 4-Scheme 6 with NaH and an alkyl halide in DMF (such as benzyl bromide, 4-fluoro-benzyl bromide, 2-chloromethyl-furan, 3-chloromethyl- furan, 2-chloromethyl-3-methyl-thiophene, 2-chloromethyl-5-methyl-thiophene, 2- chloromefhylthiophene, 3-chloromethyl-thiophene, except 2-chloromethyl-5-chloro- thiophene, bromomethylcyclohexane, and 1-bromohexane) afforded the alkylated triazole I- Scheme 6.

According to the present invention the crystal structure of human MetAP2 has been determined in complex with nine separate inhibitors at resolutions from 3.0 - 2.2A. The structures were determined using the method of molecular replacement and refined to R_c values ranging from 0.190 - 0.267. Further refinement of the atomic coordinates will change the numbers in Table

I. Refinement of the crystal structure from another crystal form will result in a new set of coordinates, determination of the crystal structure of another metalloprotease will also result in different set of numbers for coordinates in Table I which has an experimental error of approximately 0.4A. Also for example, the amino acid sequence of the metalloproteases can be varied by mutation derivatization or by use of a different source of the protein. Table I discloses the protein coordinates of hMetAP2. These data are reported for the crystal structures described herein. The data are reported in Angstroms with reference to an orthogonal coordinate system in standard format, illustrating the atom, i.e., nitrogen, oxygen, carbon, sulfur (at , β, γ, δ, or ε, positions in the amino acid residues); the amino acid residue in which the atom is located with amino acid number, and the coordinates X, Y and Z in Angstroms (A) from the crystal structure. Note that each atom in the active site and the entire structure has a unique position in the crystal. The data also report the B or Temperature Factor values, which indicate the degree of thermal motion of the atom in root mean square displacement measurements (A^). The three dimensional structure of hMetAP2 is clearly useful in the structure- based design of enzyme inhibitors, which may be used as therapeutic agents against diseases in which inhibition of angiogenesis is indicated. The discovery of the inhibitor-enzyme complexes at the catalytic site permits the design of potent, highly selective protease inhibitors. Another aspect of this invention involves a method for identifying inhibitors of hMetAP2 characterized by the crystal structure and the active site described herein, and the inhibitors themselves. The novel protease crystal structure of the invention permits the identification of inhibitors of protease activity. Such inhibitors may bind to all or a portion of the active site of hMetAP2; or even be competitive or non- competitive inhibitors. Once identified and screened for biological activity, these inhibitors may be used therapeutically or prophylactically to block protease activity.

One design approach is to probe the hMetAP2 of the invention with molecules composed of a variety of different chemical entities to determine optimal sites for interaction between candidate hMetAP2 inhibitors and the enzyme. For example, high resolution X-ray diffraction data collected from crystals saturated with solvent allows the determination of where each type of solvent molecule sticks. Small molecules that bind tightly to those sites can then be designed and synthesized and tested for their hMetAP2 inhibitor activity.

This invention also enables the development of compounds that can isomerize to short-lived reaction intermediates in the chemical reaction of a substrate or other compound that binds to or with hMetAP2. Thus, the time-dependent analysis of structural changes in hMetAP2 during its interaction with other molecules is permitted. The reaction intermediates of hMetAP2 can also be deduced from the reaction product in co-complex with hMetAP2. Such information is useful to design improved analogues of known metallo-protease inhibitors or to design novel classes of inhibitors based on the reaction intermediates of the hMetAP2 enzyme and hMetAP2 inhibitor co-complex. This provides a novel route for designing hMetAP2 inhibitors with both high specificity and stability.

Another approach made possible by this invention, is to screen computationally small molecule databases for chemical entities or compounds that can bind in whole, or in part, to the hMetAP2 enzyme. In this screening, the quality of fit of such entities or compounds to the binding site may be judged either by shape complementarity [R. L. DesJarlais et al., J. Med. Chem. 31:722-729 (1988)] or by estimated interaction energy [E. C. Meng et al, J. Comp. Chem., 13:505-524 (1992)]. Because hMetAP2 may crystallize in more than one crystal form, the structure coordinates of hMetAP2, or portions thereof, as provided by this invention are particularly useful to solve the structure of those other crystal forms of hMetAP2. They may also be used to solve the structure of hMetAP2 mutants, hMetAP2 co- complexes, or of the crystalline form of any other protein with significant amino acid sequence homology to any functional domain of hMetAP2. One method that may be employed for this purpose is molecular replacement.

In this method, the unknown crystal structure, whether it is another crystal form of hMetAP2, a hMetAP2 mutant, or a hMetAP2 co-complex, or the crystal of some other protein with significant amino acid sequence homology to any functional domain of hMetAP2, may be determined using the hMetAP2 structure coordinates of this invention as provided in Table I. This method will provide an accurate structural form for the unknown crystal more quickly and efficiently than attempting to determine such information ab initio.

Thus, the hMetAP2 structure provided herein permits the screening of known molecules and/or the designing of new molecules which bind to the protease structure, particularly at the active site, via the use of computerized evaluation systems. For example, computer modeling systems are available in which the sequence of the protease, and the protease structure (i.e., atomic coordinates of hMetAP2 and/or the atomic coordinate of the active site cavity, bond angles, dihedral angles, distances between atoms in the active site region, etc.) as provided by Table I may be input. Thus, a machine readable medium may be encoded with data representing the coordinates of Table I in this process. The computer then generates structural details of the site into which a test compound should bind, thereby enabling the determination of the complementary structural details of said test compound.

More particularly, the design of compounds that bind to or inhibit hMetAP2 according to this invention generally involves consideration of two factors. First, the compound must be capable of physically and structurally associating with hMetAP2. Non-covalent molecular interactions important in the association of hMetAP2 with its substrate include hydrogen bonding, van der Waals and hydrophobic interactions.

Second, the compound must be able to assume a conformation that allows it to associate with hMetAP2. Although certain portions of the compound will not directly participate in this association with hMetAP2, those portions may still influence the overall conformation of the molecule. This, in turn, may have a significant impact on potency. Such conformational requirements include the overall three-dimensional structure and orientation of the chemical entity or compound in relation to all or a portion of the binding site, e.g., active site or accessory binding site of hMetAP2, or the spacing between functional groups of a compound comprising several chemical entities that directly interact with hMetAP2.

The potential inhibitory or binding effect of a chemical compound with hMetAP2 may be estimated prior to its actual synthesis and testing by using computer modeling techniques. If the theoretical structure of the given compound suggests insufficient interaction and association between it and hMetAP2, synthesis and testing of the compound is obviated. However, if computer modeling indicates a strong interaction, the molecule may then be synthesized and tested for its ability to bind to hMetAP2 in a suitable assay. In this manner, synthesis of inoperative compounds may be avoided. An inhibitory or other binding compound of hMetAP2 may be computationally evaluated and designed by means of a series of steps in which chemical entities or fragments are screened and selected for their ability to associate with the individual binding pockets or other areas of hMetAP2.

One skilled in the art may use one of several methods to screen chemical entities or fragments for their ability to associate with hMetAP2 and more particularly with the individual binding pockets of the hMetAP2 active site or accessory binding site. This process may begin by visual inspection of, for example, the active site on the computer screen based on the hMetAP2 coordinates in Table I. Selected fragments or chemical entities may then be position hMetAP2. Docking may be accomplished using software such as Quanta and Sybyl, followed by energy minimization and molecular dynamics with standard molecular mechanics forcefields, such as CHARMM and AMBER.

Specialized computer programs may also assist in the process of selecting fragments or chemical entities. These include: • GRID [P. J. Goodford, "A Computational Procedure for Determining

Energetically Favorable Binding Sites on Biologically Important Macromolecules", J. Med. Chem., 28:849-857 (1985)]. GRID is available from Oxford University, Oxford, UK.

• MCSS [A. Miranker and M. Karplus, "Functionality Maps of Binding Sites: A Multiple Copy Simultaneous Search Method", Proteins: Structure, Function and Genetics, 11:29-34 (1991)]. MCSS is available from Molecular Simulations, Burlington, MA.

• AUTODOCK [D. S. Goodsell and A. J. Olsen, "Automated Docking of Substrates to Proteins by Simulated Annealing", Proteins: Structure, Function, and Genetics, 8: 195-202 (1990)]. AUTODOCK is available from Scripps Research Institute, La Jolla, CA.

• DOCK [I. D. Kuntz et al, "A Geometric Approach to Macromolecule- Ligand Interactions", J. Mol. Biol., 161:269-288 (1982)]. DOCK is available from University of California, San Francisco, CA. Additional commercially available computer databases for small molecular compounds includes Cambridge Structural Database and Fine Chemical Database, for a review see Rusinko, A., Chem. Des. Auto. News 8, 44-47 (1993).

Once suitable chemical entities or fragments have been selected, they can be assembled into a single compound or inhibitor. Assembly may be proceeded by visual inspection of the relationship of the fragments to each other on the three- dimensional image displayed on a computer screen in relation to the structure coordinates of hMetAP2. This would be followed by manual model building using software such as Quanta or Sybyl.

Useful programs to aid one of skill in the art in connecting the individual chemical entities or fragments include:

• CAVEAT [P. A. Bartlett et al, "CAVEAT: A Program to Facilitate the Structure-Derived Design of Biologically Active Molecules", in Molecular Recognition in Chemical and Biological Problems", Special Pub., Royal Chem. Soc. 78, pp. 182-196 (1989)]. CAVEAT is available from the University of California, Berkeley, CA. • 3D Database systems such as MACCS-3D (MDL Information Systems, San Leandro, CA). This area is reviewed in Y. C. Martin, "3D Database Searching in Drug Design", J. Med. Chem., 35:2145-2154 (1992).

• HOOK (available from Molecular Simulations, Burlington, MA). Instead of proceeding to build a hMetAP2 inhibitor in a step-wise fashion one fragment or chemical entity at a time as described above, inhibitory or other type of binding compounds may be designed as a whole or "de novo" using either an empty active site or optionally including some portion(s) of a known inhibitor(s). These methods include: • LUDI [H.-J. Bohm, "The Computer Program LUDI: A New Method for the De Novo Design of Enzyme Inhibitors", J. Comp. Aid. Molec. Design, 6:61-78 (1992)]. LUDI is available from Biosym Technologies, San Diego, CA.

• LEGEND [Y. Nishibata and A. Itai, Tetrahedron, 47:8985 (1991)]. LEGEND is available from Molecular Simulations, Burlington, MA. • LeapFrog (available from Tripos Associates, St. Louis, MO).

Other molecular modeling techniques may also be employed in accordance with this invention. See, e.g., N. C. Cohen et al, "Molecular Modeling Software and Methods for Medicinal Chemistry", J. Med. Chem., 33:883-894 (1990). See also, M. A. Navia and M. A. Murcko, "The Use of Structural Information in Drug Design", Current Opinions in Structural Biology, 2:202-210 (1992). For example, where the structures of test compounds are known, a model of the test compound may be superimposed over the model of the structure of the invention. Numerous methods and techniques are known in the art for performing this step, any of which may be used. See, e.g., P.S. Farmer, Drug Design, Ariens, E.J., ed., Vol. 10, pp 119-143 (Academic Press, New York, 1980); U.S. Patent No. 5,331,573; U.S. Patent No. 5,500,807; C. Verlinde, Structure, 2:577-587 (1994); and I. D. Kuntz, Science, 257: 1078-1082 (1992). The model building techniques and computer evaluation systems described herein are not a limitation on the present invention.

Thus, using these computer evaluation systems, a large number of compounds may be quickly and easily examined, and expensive and lengthy biochemical testing avoided. Moreover, the need for actual synthesis of many compounds is effectively eliminated.

Once identified by the modeling techniques, the protease inhibitor may be tested for bioactivity using standard techniques. For example, structure of the invention may be used in binding assays using conventional formats to screen inhibitors. Suitable assays for use herein include, but are not limited to, the hMetAP2 activity assay defined below. Other assay formats may be used; these assay formats are not a limitation on the present invention.

The following examples illustrate various aspects of this invention. These examples do not limit the scope of this invention which is defined by the appended claims.

A. Method of Detecting Inhibitors

The three dimensional atomic structure can be readily used as a template for selecting potent inhibitors. Various computer programs and databases are available for the purpose. A good inhibitor should at least have excellent steric and electrostatic complementarity to the target, a fair amount of hydrophobic surface buried and sufficient conformational rigidity to minimize entropy loss upon binding. The approach usually comprises several steps:

1) Defining a region to target. The active site cavity of hMetAP2 can be selected, but any place that is essential to the protease activity could become a potential target. Since the crystal structure has been determined, the spatial and chemical properties of the target region is known.

2) Docking a small molecule onto the target. Many methods can be used to archive this. Computer databases of three-dimensional structures are available for screening millions of small molecular compounds. A negative image of these compounds can be calculated and used to match the shape of the target cavity. The profiles of hydrogen bond donor-acceptor and lipophilic points of these compounds can also be used to complement those of the target. Anyone skilled in the art would be able to identify many small molecules or fragments as hits.

3) Linking and extending recognition fragments. Using the hits identified by above procedure, one can incorporate different functional groups or small molecules into a single, larger molecule. The resulting molecule is likely to be more potent and have higher specificity. It is also possible to try to improve the "seed" inhibitor by adding more atoms or fragments that will interact with the target protein.

The originally defined target region can be readily expanded to allow further necessary extension.

A limited number of promising compounds can be selected through the process. They can then be synthesized and assayed for their inhibitory properties.

The success rate can sometimes be as high as 20%, and it may still be higher with the rapid progresses in computing methods. B. Preparation of Inhibitors Example 1 Preparation of 4-(4-methylphenyl)-l /-l,2,3-triazoIe

To a stirring solution of 4-ethynyltoluene (0.92 g, 7.8 mmol) in 8 ml of toluene under an inert atmosphere was added trimethylsilylazide (2 ml, 15 mmol). The resulting solution was heated to reflux for 2 days. To this mixture was added water (2 ml) and after evaporation, the resulting residue was purified by preparative HPLC and the title compound was prepared as a white solid (14 %). 1H-NMR (400MHz, CDC1₃): 57.96 (s, IH), 7.73 (d, J = 8.0 Hz, 2H), 7.28-7.30 (m, 2H), 1.57 (s, 3H). MS (ESI) 160.2 (M+H)⁺. (This procedure was adapted from Tanaka, Y.; Velen, S. R.; Miller, S. I. Tetrahedron, 1973, 29, 3271.)

Example 2 Preparation of 3-anilino-5-[2-(phenyl)ethyl]-l,2,4-triazole

To a stirring solution of 3-phenyl-propionic hydrazide (0.20 g, 1.22 mmol) (Verma, R.; Ghosh, S. K. J. Chem. Soc. Perkin Trans. /, 1998, 15, 2377) in 8 ml of pyridine was added S-ethyl- 1-phenylisothiourea hydroiodide(0.33 g, 1.83 mmol)

(Shearer, B. G.; Lee, S.; Oplinger, J. A.; Frick, L. W.; Garvey, E. P.; Furfine, E. S. J.

Med. Chem. 1997, 40, 1901). The reaction mixture was heated at 115 °C for 15 h, concentrated to dryness, and then purified by preparative HPLC to yield the title compound as a white solid (47 mg, 15%). MS (ESI) 265.2 (M+H)⁺. 1H-NMR

(400MHz, d4-MeOH): •• • 1.08 (2H, J=6.8 Hz), 3.02 (2H, m), 6.88 (IH, m), 7.17-

7.28 (6H, m), 7.37 (m, 2H).

Example 3

Preparation of 3-anilino-5-benzylthio-l,2,4-triazole a) l-Phenyl-2,4-dithiobiuret

To a stirring solution of NaOH (0.52 g, 13.1 mmol) in 60 mL of 10% H₂O:CH₃CN was added thiourea (1.0 g, 13.1 mmol). The resulting suspension was heated to 40 °C for 20 min. and then cooled to RT. To this mixture was added phenylisothiocyanate (1.5 ml, 13.1 mmol), and the clear yellow solution was stirred overnight. After stirring for 12 h, 1 N HCl was added until a white precipitate formed. The precipitate was filtered, washed with H O, and dried under vacuum to produce the title compound as a light yellow powder (0.78 g, 30%). Η-NMR (400MHz, d6-DMSO) δ- 7.25 (t, 2H, J=7.3 Hz), 7.40 (t, 2H, j=7.9 Hz), 7.56 (d, IH, J=7.9 Hz), 9.13-9.29 (broad singlet, IH), and 10.26-10.79 (broad singlet, 2H). b) 2-Ethyl- 1 -phenyl-2-isodithiobiuret To a stirring solution of the compound of Example 1(a) (150 mg, 0.70 mmol) in 4 mL of DMF was added triethylamine (57 uL, 0.70 mmol). The resulting yellow/green solution was stirred for 10 min at RT. To this solution was added ethyl iodide (100 uL, 0.70 mmol), and the reaction mixture was stirred for 2 h at RT. The yellow solution was poured into 20 mL of H₂O and extracted four times with EtOAc. The organic extracts were dried over Na₂SO₄, filtered, concentrated, and the crude residue was subjected to column chromatography (silica gel; ethyl acetate/hexane) to afford the title compound as a white crystalline solid (108 mg, 64%). Η-NMR (400MHz, d6-DMSO) δl.22 (t, 3H, J=7.2 Hz), 2.96 (quartet, 2H, J=7.2 Hz), 6.85 (d, IH, J=7.6 Hz), 7.16 (t, IH, J=7.2 Hz), 7.29-7.41 (m, 3H), 8.27 (broad singlet, IH), 9.89 (broad singlet, IH), and 10.99 (broad singlet, IH). c) 3-anilino-5-mercapto- 1 ,2,4-triazole

To a stirring solution of the compound of Example 1(b) in 2 mL of EtOH was added 50 uL of anhydrous hydrazine. The reaction mixture was heated at 80 °C for 1 h, concentrated to dryness, and then purified by preparative HPLC to yield the title compound as a white solid (30 mg, 37%). MS (ESI) 190.90 (M-H)⁺. d) 3-anilino-5-benzylthio- 1 ,2,4-triazole

To a stirring solution of the compound of Example 1(c) (23 mg, 0.12 mmol) in 1.2 mL of DMF was added K₂CO₃ (17 mg, 0.12 mmol), followed by benzyl bromide (20 mg, 0.12 mmol). The mixture was stirred overnight, filtered, and purified by preparative HPLC to afford the title compound as a white solid (30 mg, 70%). Η- NMR (400MHz, d6-DMSO) δ9.30 (broad singlet, IH), 7.47 (d, 2H, J=8.1 Hz), 7.39 (d, 2H, J=7.3 Hz), 7.31 (t, 2H, J=7.3 Hz), 7.23 (quartet, 3H, J=7.3 Hz), 6.82 (t, IH, J=7.3 Hz), and 4.3 (s, 2H).

Example 4 Preparation of 3-methylacetate-3-anilino-5-benzylthio-l,2,4-triazole a) 3-anilino-5-benzylthio-l or/2-methyl ethyl ether- 1,2,4-triazole To a stirring solution of 3-anilino-5-benzylthio- 1,2,4-triazole (0.68 g, 2.41 mmol) in 8 mL DMF was added NaH (0.125 g, 3.13 mmol). To this mixture was added chloromethyl ethyl ether (0.251 g, 2.65 mmol), and the solution was stirred overnight. The reaction mixture was poured into 50 ml H₂O and extracted three times with EtOAc. The EtOAc extracts were dried over Na₂SO₄, filtered, and concentrated down. The crude mixture was subjected to column chromatography (silica gel, EtOAc/hexane) to provide the title compounds as a mixture of regioisomers as a light yellow oil (0.58 g, 71%). Η-NMR (400MHz, d6-DMSO) compound 1: δ9.33 (broad singlet, IH), 7.51 (d, 2H, J=8.3 Hz), 7.42-7.22 (m, 8H), 5.23 (s, 2H), 4.47 (s, 2H), 3.43 (q, 2H, J=7.2 Hz), 1.04 (t, 3H, J=7.0 Hz). Compound 2: δ9.20 (broad singlet, IH), 7.63 (d, 2H, J=7.6 Hz), 7.42-6.93 (m, 8H), 5.44 (s, 2H), 4.30 (s, 2H), 3.51 (q, 2H, J=7.1 Hz), 1.07 (t, 3H, J=7.0). MS (ESI) 341 (M+H)⁺. b) Methyl [(5-benzylsulfanyl-l,2,4-triazolyl-3-yl)phenylamino]acetate

To a stirring solution of 3-anilino-5-benzylthio-l or/2-methyl ethyl ether- 1,2,4-triazole (50 mg, 0.15 mmol) in 1 ml THF was added NaH (11.8 mg, 0.30 mmol), and to this solution was added methyl bromoacetate (0.054 ml, 0.57 mmol). The reaction mixture was stirred overnight. THF was removed and 0.5 ml TFA was added to the residue and stirred overnight. TFA was removed under vacuum and the mixture was purified by preparative HPLC to afford the title compound as a white solid. 1H-NMR (400MHz, d6-DMSO) hi.31-1. 2 (m, 10H), 4.59 (s, 2H), 4.26 (s, 2H), 3.74 (s, 3H). MS (ESI) 355 (M+H)⁺.

Example 5

Preparation of 3-(2-isopropyl-anilino)-5-(thiophen-2-yIthio)-l,2,4-triazole

Following the procedure of Example 3(a)-3(d) except substituting 2- isopropylphenyl isothiocyanate for phenyl isothiocyanate in step (a), and 2- chloromethylthiophene for benzyl bromide in step (d), the title compound was prepared as a white solid. MS (ESI) 331.2 (M+H)⁺.

Example 6 Preparation of 4-(3-methylphenyl)-lH-l,2,3-triazoIe

To a stirring solution of 3-ethynyltoluene (0.46 g, 4.0 mmol) in 4 ml of toluene under an inert atmosphere was added trimethylsilylazide (1 ml, 8 mmol). The resulting solution was heated to reflux for 3 days. To this mixture was added water (1 ml) and after evaporation, the resulting residue was purified by preparative HPLC to afford the title compound as a white solid (23 %). Η-NMR (400MHz, CD3OD): δ 8.14 (s, IH), 7.67 (s, IH), 7.62 (d, J=7.7 Hz, IH), 7.34 (t, J=7.6 Hz, IH), 7.20 (d, J=7.6 Hz, IH), 2.41 (s, 3H). MS (ESI) 160.2 (M+H)⁺. Example 7 Preparation of 4-(2-chlorophenyl)-l/7-l,2,3-triazole

To a stirring solution of l-chloro-2-ethynylbenzene (0.55 g, 4.0 mmol) in 4 ml of toluene under an inert atmosphere was added trimethylsilylazide (1 ml, 8 mmol). The resulting solution was heated to reflux for 3 days. To this mixture was added water (1 ml) and after evaporation, the resulting residue was purified by preparative HPLC to afford the title compound was prepared as a white solid (35 %). Η-NMR (400MHz, CD₃OD): δ 8.29 (s, IH), 7.90 (d, J=7.0 Hz, IH), 7.53-7.56 (m, IH), 737- 7.44 (m, 2H). MS (ESI) 180.0 (M+H)⁺.

Example 8 Preparation of 3-Benzyl-5-(benzylthio)-l,2,4-triazole a) Phenylacetic acid methyl ester

To a stirring solution of phenyl acetic acid (4.79 g, 35.16 mmol) in MeOH (250 ml) was added cone. HCl (2.5 ml). The mixture was heated at reflux for 24 h, cooled to rt., then concentrated. The crude ester was dissolved in CH₂C1₂ and washed with 10% aqueous sodium bicarbonate. The CH₂CL layer was discarded, and the bicarbonate layer was acidified to pH < 2 with cone. HCl. The acidic aqueous layer was extracted three times with EtOAc (100 ml), and the EtOAc extracts were dried over Na SO4, filtered, and concentrated to provide the ester as a clear oil (4.14 g, 79%). b) Phenylacetic acid hydrazide

To a stirring solution of phenylacetic acid methyl ester (4.14 g, 27.56 mmol) in MeOH (250 ml) was added anhydrous hydrazine (4.33 ml, 137.82 mmol). The mixture was stirred at rt. for 24 h, and concentrated to provide the hydrazide as a white solid (4.14 g, 100%). c) 1 -N-Phenylacetyl-4-N-benzoyl-thiosemicarbazide

To a stirring solution of phenylacetic acid hydrazide (3.86 g, 25.73 mmol) in EtOH (35 ml) was added Ν-benzoyl isothiocyanate (3.46 ml, 25.73 mmol) (Amir, M.; Shahani, S. Indian J. Heterocyclic Chem. 1998, 8, 707-710.). The mixture was heated at 85 °C for 2h, and concentrated to a slurry. The solid was filtered, washed with cold EtOH, and was collected to provide the title compound as a white solid (6.81 g, 84%). d) 3-Benzyl-5-mercapto- 1 ,2,4-triazole To a stirring solution of l-N-phenylacetyl)-4-N-benzoyl-thiosemicarbazide

(6.81 g, 21.72 mmol) in EtOH (40 ml) was added 4 Ν aqueous ΝaOH (17 ml). The mixture was heated at reflux for 1 hr, and then cooled to rt. The mixture was then concentrated to half of the original volume, and then was acidified to pH 4 with AcOH. The precipitate was filtered, washed with cold EtOH and water, and dried in vacuo to provide the title compound as a white solid (2.78 g, 67%). e) 3-Benzyl-5-(benzylthio)- 1,2,4-triazole

To a stirring solution of 3-benzyl-5-mercapto- 1,2,4-triazole (48 mg, 0.25 mmol) in DMF (1 ml) was added NaH (10 mg, 0.25 mmol). The mixture was stirred for 5 min, and benzyl bromide (Berry, J. M.; Watson, C. Y.; Whish, W. J. D.; Threadgill, M. D. J. Chem. Soc. Perkin Trans. 1 1997, 8, 1147) was added via syringe (44.5 mg, 0.26 mmol). The mixture was stirred for 15 h at rt., filtered, and the crude triazole was purified by preparative HPLC to afford the title compound as a white solid (25%). MS (ESI) 282.2 (M+H)⁺.

Example 9 Preparation of lH-naptho[l,2-rf]-l,2,3-triazole

The procedure of Morgan, G.; J. Chem. Soc. 1910, 97, 1719, was followed to afford the title compound. MS (ESI) 170.0 (M+H)⁺.

C. CRYSTALLOGRAPHIC DATA Crystallization and structure solution of the protein -inhibitor complexes

Two protein samples were used for preparation of crystals for studies of inhibitor complexes. The entire native sequence of the protein purified as described [S.Liu, J.Widom, C.W.Kemp, C.M.Crews, J.Clardy, Structure Of Human Methionine Aminopeptidase-2 Complexed With Fumagillin Science 282 ,1324 (1998)] and a clone of human methionineaminopeptidase-2 consisting of residues 110- 474 expressed in E. coli., purified in the same manner. Complexes were prepared by introducing solid inhibitor into the crystal mother liquor after crystal formation and allowed to incubate at 4°C for 24 to 48 hours.

Crystals of human methionineaminopeptidase-2 complexed with inhibitor grew to a size of approximately 0.1 - 0.2 mm³ in about six days at 4°C. The concentration of inhibited human methionineaminopeptidase-2 used in the crystallization was approximately 10 - 15 mg./ml. The method of vapor diffusion in sitting drops was used to grow crystals from the solution of human methionineaminopeptidase-2. Crystals grew at 4°C from drops containing protein in a solution of 10% glycerol in lOmM Hepes buffer at pH 7.4 containing 0.15M NaCl. This solution was mixed in equal volumes with a reservoir solution of 15 - 20% tert- butyl alcohol containing 0.4 - 0.1 M NaCitrate at pH 5.5. Crystals of the complex are orthorhombic, space group C222ι, with cell constants of a=89.7, b=99.7, and c=100.6 Angstroms. The crystals contain one molecule in the asymmetric unit and approximately 54% solvent with a V_m value of 2.75 A³/Dalton. X-ray diffraction data were measured from a single crystal for each inhibitor complex using synchrotron radiation provided by beamline 17-ID at the Advance Photon Source, Argonne National Laboratory. The protein structures for all complexes were determined by molecular replacement using CNX ( Molecular Simulations Inc). The starting model consisted of all protein atoms of the published structure of human methionineaminopeptidase-2 published by LIU et al [S.Liu, J.Widom, C.W.Kemp, CM. Crews, J.Clardy , Structure Of Human Methionine Aminopeptidase-2 Complexed With Fumagillin Science 282 ,1324 (1998)]. This model was refined by rigid-body refinement, and the resulting phases were used to calculate Fourier maps with coefficients IF₀-F_CI and I2F₀-F_CI, into which the atomic model of human methionineaminopeptidase-2 was built using the molecular graphics system XtalView (Molecular Simulations Inc). Conventional positional refinement was carried out during protein model building using CNX. The density corresponding to the inhibitors was fit to difference Fourier electron density maps with XtalView and the resulting inhibitor complex structure refined using CNX to a final R_c values of 0.22 to 0.32 for the various inhibitor complexes. The resolution range for the various inhibitor complex structures varied from 1.8 to 2.5 Angstroms resolution. Abbreviations mM, milHMolar R_C = ΣI(F₀ - F_C)I / F₀ F₀ = observed structure amplitude F_c = calculated structure amplitude D. Biological Data

Direct Spectrophotometric Assays of hMetAP2 The hMetAP2 activity can be measured by direct spectrophotometric assay methods using alternative substrates, L-methionine-/?-nitroanilide (Met-pNA) and L-methionine-7- amido-4-methylcoumarin (Met- AMC). The formation of -nitroaniline (pNA) or 7- amido-4-methylcoumarin (AMC) was continuously monitored by increasing absorbance or fluorescence at 405 nm and 460 nm, respectively, on a corresponding plate reader. All assays were carried out at 30°C. The fluorescence or spectrophotometric plate reader was calibrated using authentic pNA and AMC from Sigma, respectively. For a typical 96-well plate assay, the increase in the absorbance (at 405 nm for pNA) or the fluorescence emission (λ_ex = 360 nm, λ_em = 460 nm, for AMC) of a 50 μL assay solution in each well was used to calculate the initial velocity of hMetAP2. Each 50 μL assay solution, contained 50 mM Hepes Na⁺ (pH 7.5), 100 mM NaCl, 10-lOOnM purified hMetAP2 enzyme, and varying amounts of Met-AMC (in 3% DMSO aqueous solution) or Met-pNA. Assays were initiated with the addition of substrate and the initial rates were corrected for the background rate determined in the absence of hMetAP2. Coupled Spectrophotometric Assays of hMetAP2 The methionine aminopeptidase activity of hMetAP2 can also be measured spectrophotometrically by monitoring the free L-amino acid formation. The release of N- terminal methionine from a tripeptide (Met-Ala-Ser, Sigma) or a tetrapeptide (Met-Gly- Met-Met, Sigma) substrate was assayed using the L-amino acid oxidase (AAO) / horse radish peroxidase (HRP) couple (eq. l-3a,b). The formation of hydrogen peroxide (H₂O₂) was continuously monitored at 450nm (absorbance increase of o-Dianisidine (Sigma) upon oxidation, Δε = 15,300 MAπr¹)² and 30 °C in a 96- or 384-well plate reader by a method adapted from Tsunasawa, S. et al.(1997) (eq. 3a). Alternatively, formation of H₂O₂ was followed by monitoring the fluorescence emission increase at 587nm (Δε = 54,000 MAmA λ_ex = 563 nm, slit width for both excitation and emission was 1.25 mm) and 30 °C using Amplex Red (Molecular Probes, Inc) (Zhou, M. et al. (1997) Anal. Biochem. 253, 162) (eq. 3b). In a total volume of 50 μL, a typical assay contained 50 mM Hepes Na+, pH 7.5, 100 mM NaCl, 10 μM CoCl₂, 1 mM o-Dianisidine or 50 μM Amplex Red, 0.5 units of HRP (Sigma), 0.035 unit of AAO (Sigma), 1 nM hMetAP2, and varying amounts of peptide substrates. Assays were initiated by the addition of hMetAP2 enzyme, and the rates were corrected for the background rate determined in the absence of hMetAP2.

-Met-Ala-Ser HMAP-2 _{> L}._{Methionine +} H,N-Ala-Ser (1)

Co⁺⁺

AAO -Methionine + H₂0 + 0₂ — _*■ 2-oxo-acid + NH₃ + H₂0₂ (2)

(o-Dianisidine)

Kinetic Data Analysis

Data were fitted to the appropriate rate equations using Grafit computer software. Initial velocity data conforming to Michaelis-Menton kinetics were fitted to eq. 4. Inhibition patterns conforming to apparent competitive and non-competitive inhibition were fitted to eq. 5 and eq. 6, respectively. v = VA/(K_a + A) (4) v = VA/[K_a(l + I/K_is) + A] (5) v = V A/[K_a( 1 + I/K_is) + A( 1 + I/Kjj)] (6)

In eqs 4 - 6, v is the initial velocity, V is the maximum velocity, K_a is the apparent Michaelis constant, I is the inhibitor concentration, and A is the concentration of variable substrates. The nomenclature used in the rate equations for inhibition constants is that of Cleland (1963), in which Kj_s and Kjj represent the apparent slope and intercept inhibition constants, respectively. Cell growth inhibition assays

The ability of hMetAP2 inhibitors to inhibit cell growth was assessed by the standard XTT microtitre assay. XTT, a dye sensitive to the pH change of mitochondria in eukaryotic cells, is used to quantify the viability of cells in the presence of chemical compounds. Cells seeded at a given number undergo approximately two divisions on average in the 72 hours of incubation. In the absence of any compound, this population of cells is in exponential growth at the end of the incubation period; the mitochondrial activity of these cells is reflected in the spectrophotometric readout (A450). Viability of a similar cell population in the presence of a given concentration of compound is assessed by comparing the A450 reading from the test well with that of the control well. Flat-bottomed 96-well plates are seeded with appropriate numbers of cells (4-6 x 10^ cells/well in a volume of 200 ul) from trypsinized exponentially growing cultures. In the case of HUVECs, the wells are coated with matrigel prior to establishing the cultures. To "blank" wells is added growth medium only. Cells are incubated overnight to permit attachment. Next day, medium from wells that contain cells is replaced with 180 ul of fresh medium. Appropriate dilutions of test compounds are added to the wells, final

DMSO concentration in all wells being 0.2 %. Cells plus compound are incubated for an additional 72 hr at 37°C under the normal growth conditions of the cell line used. Cells are then assayed for viability using standard XTT/PMS (prepared immediately before use: 8 mg XTT (Sigma X-4251) per plate is dissolved in 100 ul DMSO. 3.9 ml H₂O is added to dissolve XTT and 20 ul of PMS stock solution (30 mg/ml) is added from frozen aliquoted stock solution (10 mg of PMS (phenazine methosulfate, Sigma P-9625) in 3.3 ml PBS without cations. These stocks are frozen at -20°C until use). 50 ul of XTT/PMS solution is added to each well and plates incubated for 90 minutes (time required may vary according to cell line, etc.) at 37°C until A₄₅₀ is >1.0. Absorbance at 450 nM is determined using a 96-well UV plate reader. Percent viability of cells in each well is calculated from these data (having been corrected for background absorbance). ICso is that concentration of compound that reduces cell viability to 50% control (untreated) viability.

The compounds of this invention show hMetAP2 inhibitor activity having IC50 values in the range of 0.0001 to 100 uM. The full structure/activity relationship has not yet been established for the compounds of this invention. However, given the disclosure herein, one of ordinary skill in the art can utilize the present assays in order to determine which compounds of this invention are inhibitors of hMetAP2 and which bind thereto with an IC50 value in the range of 0.0001 to 100 uM. All publications, including, but not limited to, patents and patent applications cited in this specification, are herein incoφorated by reference as if each individual publication were specifically and individually indicated to be incoφorated by reference herein as though fully set forth.

The above description fully discloses the invention including preferred embodiments thereof. Modifications and improvements of the embodiments specifically disclosed herein are within the scope of the following claims. Without further elaboration it is believed that one skilled in the art can, given the preceding description, utilize the present invention to its fullest extent. Therefore any examples are to be construed as merely illustrative and not a limitation on the scope of the present invention in any way. The embodiments of the invention in which an exclusive property or privilege is claimed are defined as follows.

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156 ARG NH2 16. .38 13. .14 -0 .05 26. .18

156 ARG C 22, .94 18. .46 1 .03 24. .19

156 ARG 0 23. .95 18. .11 1. .63 24. .16

157 GLU N 22. .95 19, .37 0 .06 23. .80

157 GLU CA 24, .19 20, .05 -0 .31 23. .44

157 GLU CB 23. .96 20, .95 -1 .53 23. .61

157 GLU CG 25. .13 21. .88 -1 .83 24. .10

157 GLU CD 24, .92 22, .73 -3 .06 24. .41

157 GLU OEl 23. .75 22, .93 -3 .48 25. .31

157 GLU OE2 25. .92 23. .23 -3, .61 25. .12

157 GLU C 24. .68 20. .88 0. .87 22. .85

157 GLU 0 25. .88 20. .91 1, .16 22. .47

158 ALA N 23, .76 21. .55 1, .55 22. .46

158 ALA CA 24, .13 22. .36 2, .71 22. .06

158 ALA CB 22. .95 23. .20 3. .15 22. .39

158 ALA C 24, .59 21. .45 3. .85 22. .10

158 ALA 0 25, .49 21. .80 4. .61 21. .99

159 ALA N 23, .97 20. .28 3. .97 21. .94

159 ALA CA 24, .33 19. .32 5. .02 21. .96

159 ALA CB 23, .30 18. .20 5. .08 22. .32

159 ALA C 25, .72 18. .73 4 .80 22. .15

159 ALA 0 26. .48 18. .52 5. .76 21. .99

160 GLU N 26. .06 18. .43 3 .55 21. .94

160 GLU CA 27. .36 17, .87 3 .25 21. .86

160 GLU CB 27. .43 17, .48 1 .77 22. .19

160 GLU CG 28. .73 16, .81 1. .36 23, .25

160 GLU CD 29. .04 15, .54 2 .17 23. .32

160 GLU OEl 28. .10 14, .88 2 .66 24. .30

160 GLU OE2 30. .23 15, .21 2 .30 24, .01

160 GLU C 28 .44 18, .90 3 .56 21, .43

160 GLU 0 29 .52 18, .55 4 .04 21, .05

161 ALA N 28 .14 20, .17 3 .29 20, .98

161 ALA CA 29 .09 21. .23 3 .58 20, .87

161 ALA CB 28 .55 22. .58 3 .07 20. .41

161 ALA C 29 .29 21. .27 5 .09 20, .71

161 ALA 0 30 .41 21. .36 5 .57 20, .73

162 HIS N 28 .19 21 .18 5 .83 20, .43

162 HIS CA 28 .25 21. .20 7 .29 20, .55

162 HIS CB 26 .82 21. .17 7 .87 20, .26

162 HIS CG 26 .74 21. .57 9 .31 20, .49

162 HIS CD2 26. .27 22. .70 9 .89 20. .22 h- h- H> H> H> t-» h- H¹ h- H> - H¹ h-> - h- h- h- h-> h- h- h- H h-> H> h-> h~ h- h-> h- cn on on cn cn on cn cn cn cn cn cn cn on on Ol on cn on on cn on on cn cn cn cn cn on cn cn cn cn cn cn cn cn cn cn cn cn on on cn cn cn cn

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197 ASN ODl 26..44 34..61 -6..18 27..55

197 ASN ND2 24. .94 32. .95 -6. .42 27. .52

197 ASN C 25. .73 34. .37 -3. .08 25. .89

197 ASN 0 24. .59 33. .97 -3. .35 25. .78

198 GLY N 25. .97 35. .50 -2, .41 25. .54

198 GLY CA 24. .88 36. .34 -1. .97 25. .27

198 GLY C 23, .88 35. .60 -1, .11 25. .04

198 GLY 0 24, .25 34. .92 -0, .16 25, .00

199 LEU N 22, .60 35. .72 -1. .46 24. .72

199 LEU CA 21. .54 35. .05 -0, .70 24. .53

199 LEU CB 20. .31 35. .96 -0. .65 24. .41

199 LEU CG 20. .51 37. .29 0. .08 24. .41

199 LEU CDI 19. .26 38. .14 -0. .08 24. .34

199 LEU CD2 20. .82 37. .05 1. .56 24. .47

199 LEU C 21. .17 33. .69 -1. .30 24. .35

199 LEU 0 20. .29 33. .00 -0. .79 24. .48

200 ASN N 21. .85 33. .30 -2. .38 24. .18

200 ASN CA 21, .58 32. .03 -3. .04 23, .93

200 ASN CB 21, .95 32. .11 -4, .52 24, .75

200 ASN CG 20, .96 32. .94 -5, .33 25. .24

200 ASN ODl 21, .35 33. .80 -6. .12 26. .30

200 ASN ND2 19, .68 32, .68 -5. .12 25, .87

200 ASN C 22, .32 30, .87 -2, .37 23, .50

200 ASN 0 21, .95 29, .70 -2. .53 23, .18

201 ALA N 23, .36 31. .19 -1. .61 23, .00

201 ALA CA 24, .13 30. .17 -0. .92 22, .12

201 ALA CB 24, .90 29, .32 -1. .92 22, .35

201 ALA C 25, .10 30, .86 0, .03 21, .56

201 ALA 0 25 .76 31, .82 -0. .35 21 .30

202 GLY N 25 .19 30, .37 1 .26 21 .05

202 GLY CA 26 .11 31, .01 2 .19 20 .12

202 GLY C 25 .97 30, .52 3 .60 19 .53

202 GLY 0 25 .55 29, .39 3 .84 19 .25

203 LEU N 26 .32 31, .38 4 .55 18 .95

203 LEU CA 26 .23 31 .03 5 .97 18 .85

203 LEU CB 27 .32 31 .76 6 .76 18 .91

203 LEU CG 28 .73 31 .74 6 .13 19 .06

203 LEU CDI 29 .74 32 .45 7 .03 19 .50

203 LEU CD2 29 .14 30 .30 5 .89 19 .58

203 LEU C 24 .86 31 .45 6 .47 18 .67

203 LEU 0 24 .46 32 .60 6 .33 18 .63

204 ALA N 24 .13 30. .50 7 .05 18 .50 204 ALA CA 22..77 30..76 7..55 18..53

204 ALA CB 22. .07 29. .44 7. .83 18. .49

204 ALA C 22. .73 31. .65 8. .78 18. .40

204 ALA O 21. .81 32. .45 8. .95 18. .86

205 PHE N 23. .72 31. .50 9, .64 17. .89

205 PHE CA 23. .79 32. .31 10. .84 17. .33

205 PHE CB 22. .76 31. .85 11. .89 17. .44

205 PHE CG 22. .77 30. .37 12, .17 18. .07

205 PHE CDI 23. .68 29. .82 13. .06 17. .91

205 PHE CD2 21. .86 29. .53 11. .52 17. .63

205 PHE CEl 23. .69 28. .45 13, .31 18. .26

205 PHE CE2 21. .87 28. .16 11, .76 18. .35

205 PHE CZ 22. .79 27. .61 12, .65 17. .97

205 PHE C 25, .21 32. .27 11, .40 16. .91

205 PHE O 26. .02 31, .42 11, .00 16. .88

206 PRO N 25. .54 33 , .20 12, .29 16. .86

206 PRO CD 24, .69 34, .31 12, .75 16. .67

206 PRO CA 26, .87 33 , .29 12, .91 16. .64

206 PRO CB 26, .72 34. .45 13, .90 16. .66

206 PRO CG 25, .71 35, .31 13 .26 16, .90

206 PRO C 27, .30 32, .02 13, .63 16, .58

206 PRO O 26, .47 31, .22 14, .06 16, .19

207 THR N 28, .61 31, .84 13 .75 16, .38

207 THR CA 29, .16 30, .68 14 .41 16, .44

207 THR CB 30, .66 30, .48 14 .03 16. .70

207 THR OGl 30, .77 30, .33 12 .62 15. .71

207 THR CG2 31, .23 29, .23 14 .71 16, .48

207 THR C 29. .05 30, .77 15 .93 16, .41

207 THR O 29. .76 31, .55 16 .58 16. .40

208 GLY N 28. .15 29, .99 16 .50 16, .16

208 GLY CA 28. .04 30. .00 17 .94 15. .90

208 GLY C 29. .20 29. .20 18 .53 15. .85

208 GLY O 29. .56 28. .14 18 .01 15. .91

209 CYS N 29. .78 29. .71 19 .60 15. .51

209 CYS CA 30 .86 29 .00 20 .29 15. .34

209 CYS CB 32 .25 29. .42 19 .75 15, .57

209 CYS SG 32 .49 31. .20 19 .64 15, .55

209 CYS C 30 .73 29 .26 21 .78 15. .16

209 CYS O 31 .72 29 .41 22 .48 15 .30

210 SER N 29 .48 29 .29 22 .25 14 .88

210 SER CA 29 .12 29 .52 23 .66 14 .96

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CO CO eo to co to ro CO to CO to OJ oo oo 00 OJ OJ Ul 0J t CO CO CO eo eo co oo oo 0J CO OJ 0J J 0J J 00 OJ 00 01 cn on vo VD vo vo 00 vo CO vo on on lb OJ eo o o oo VD 00 vo vo 00 vo vo h-¹ o o VD o CO 00 lb lb

Ul Ul vo on lb o eo to o o CO lb lb o OJ o CO J OJ vo Ul UI lb Ul on oo Ul OJ 00 Ol ~0 o on OJ Ul O lb Ul cn eo VD 00 vo CO o oi o o OJ on ui 00 1 lb oo ui Ol vo co CO ^1 00 00 o 01

OJ OJ 00 OJ OJ OJ Ul 00 J OJ OJ OJ 0J oo OJ 0J Ul eo CO eo ro CO CO eo co eo eo eo CO CO CO CO CO eo 0J OJ J Ul Ul o o o o o o o o o o σ on on Ul lb eo o vo 00 vo 00 oo 00 00 CO CO 00 vo 00 oo oo oo oo vo 0J to eo o o CO CO on o 00 Ui lb o o on CO vo on on ^1 o CO vo OJ ^■J Ul Ul 01 o 00 00 vo 00 ^1 CO Ul lb

^ OJ lb 01 vo Ol ui eo H o vo Ul J lb vo vo CO CO VD vo oo ^1 oo on o VD vo cn o CO lb 00 01

OJ OJ OJ OJ 00 J OJ OJ OJ OJ ui ui ui J Ul Ul Ul Ui Ul Ul Ui Ul Ul Ul Ul OJ OJ l Ul Ul Ul Ul Ul OJ OJ OJ OJ OJ OJ OJ OJ l-» h- H¹ h- H> h- H-> H> H> - h- t-^ w H> h- H> h- l-> h- h- H> (-> h- h-> H> vo VD VO VD VO vo VO 00 00 00 00 00 00 ^1 ! ^1 ^1 ~J S ^1 Ol 01 01 01 on Ul ui Ul ui Ul oπ on φ. lb lb lb *. lb lb

H H t- H H H H CΛ Cn cn cn cn cn EC EC EC EC EC EC EC EC EC EC Ω Ω Ω Ω > > > > > P P P P P P P

P P P P P P P tS LS tS ES ES LS H H H H H H H H H H P P P P cn cn cn cn CΛ in CΛ cn LS ts IS LS ts ES ES

ES Ls ts Es ts rs Er| 33 33 33 33 33 33 CΛ CΛ cn ω cn cn ω cn cn cn Ki Ki Ki 2 2 2 2 2 2 2 2 G G G G G G G

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I-¹ h- - I-¹ h- H> h- h- h- h- h- t-¹ h- h-> h- h- t^ h- H¹ h- h- H> H¹ h- h- h- h- h- h- h¹ h- h- h-> on lb oo to - h- h- CO vo o O co H» cn Ul Ib Ul Ul to co CO to OJ 00 lb φ- H^> to CO co OJ φ- φ- φ. s vo ^1 on Ul

O oo Ul Ul 1 lb σi on 00 Ul o lb -O 01 CO H¹ Ol 00 o vo lb VO 00 vo VO ^ vo eo 0J OJ o lb vo O! o Ol ~J CO -J oo J

CO cn o vo vo cn Ul lb Ul o ι h- vo co o OJ h- Ul ^J 1 vo Ul H¹ lb lb ^1 lb o OJ ^1 00 o o eo o co t OJ

CO eo CO CO CO CO to CO CO CO to CO CO t eo CO to CO CO to to CO eo CO CO to to to CO to to CO CO CO CO CO to CO CO to CO to

Ol lb lb on on ui lb Ol on Ul lb lb lb OJ lb 01 Ol Ol Ol cn cn lb 0J lb 0J CO OJ on lb cn Ol ui lb lb on lb Ul 00 Ol ] Ol 01

O o CO 00 o ~0 00 00 co ^1 lb CO Ul on h- OJ lb Ul CO t o on ] cn 00 VD -¹ o CO lb on oo lb co J Ul OJ to 00 00 h- on

CO OJ o Ol 0J eo 00 00 on cn lb 01 oo CO VD ui o Ul Ul OJ ^ to 00 o cn 00 -J oo o to 00 Ul 00 lb OJ ^1 ^1 lb cn oo to h- t-> 1-" κ> h- h- H> h- l-» - h-^> !-> to CO CO to CO CO eo CO CO to eo CO eo to CO CO

00 o o CO vo vo o eo CO eo CO Φ> lb lb Ul lb lb Ol on en Ol on oo CO VD o o UJ h- CO CO CO 0J ui lb lb on ui ui on on on o Ul Ul oo ^1 lb vo cn 00 _^! t-^> I-¹ -J ^J lb ui O CO CO h- VD VD eo O lb lb O on oπ ui ^1 ui to CO on lb 00 Ol ui 0J lb lb CO h- o Ul eo on Ul o 00 lb lb vo on to vo lb o Ol cn VD Ul o ^3 O to vo n 00 Ol -J 00 lb Ol lb VD on cn oo H> o

CO CO CO co CO to CO to CO CO eo CO CO CO CO to t CO CO ro CO CO eo eo CO CO to OJ co OJ OJ J OJ 0J OJ OJ 0J CO ro to to to lb lb lb lb lb lb Ul Ul Ul Ol on Ol on ^1 1 00 00 CO 00 CO CO -J oo 00 00 00 vo o vo to CO κ> o o o o o vo VD vo VD VD vo lb 0J J ui vo o 01 CO oo o h- vo CO OJ vo 00 CO vo l CO l h-> CO lb -0 OJ eo vo O to Ol 00 CO o o o ^1 lb ui 00 VD l-> ui OJ n cn on 0J ^J eo eo oo vo to H" o lb o ui 00 CO vo Ol ~0 lb cn OJ o to -J o vo o lb Ol vo 0J oo o l-> to to

OJ OJ OJ OJ OJ OJ oo OJ OJ oo OJ OJ OJ OJ OJ OJ J OJ OJ OJ OJ OJ Ul OJ oo 00 OJ OJ oo OJ UJ OJ OJ OJ OJ OJ OJ UI OJ OJ OJ to CO ro to CO to CO t to to to to to CO eo eo to to CO to CO t to to co to CO to to to to to to eo to io to to to to lb lb lb lb OJ J OJ OJ OO 00 J OJ OJ OJ OJ to to to CO eo t to to to CO CO CO l-» l-^» l-^> l-» l-> 0 0 0 0 o

H H H H > > > > > > > β >-3 ι-3 ri ri ri >-3 ι-3 ri r Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω H

P P P P 33 33 33 33 33 33 33 33 33 33 33 j Ki Ki Ki Ki Ki Ki K; P P P P P P P P P P P P P P t ES t LS Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 33 33 33 33 33 33 33 33 33 33 33 33 2 2 2 2 2 2 2 2 2 κi κ; κ; κ; ts

Ω Ω Ω 2 O Ω 2 2 Ω 2 Ω Ω Ω Ω 2 O Ω O Ω Ω Ω Ω Ω Ω 2 O Ω 2 O Ω Ω Ω Ω 2 0 Ω Ω 2 O Ω 03 > EC EC ts ts O Ω 03 EC CS ts D ts Ω 03 > ts t O Ω 03 to CO t-r co to t-^r α Ω Ω - to

h-> h-> l-> H> t-¹ l-> t-¹ I-¹ H¹ -> H" )-> 1-"

01 O Ul on oo OJ 1 ^1 co vo vo H> to 0J lb ^3 Ul on 1 Ul lb on lb CO Ul UJ CO 00 t OJ to H¹

CO ^J Ul O OJ vo co 0J OJ CO OJ o ui oo <! oo o. o CO ~J vo CO cn Ul Ul ^1 Ol CO OJ oo vo vo lb CO to 00 o

CO lb VO on 00 oo h-> OJ ] oo vo en CO ui CO o CO Ul oo VD lb lb ui vo lb Ul lb lb OJ CO o o o OJ o o ui lb J OJ to OJ to 0J OJ OJ OJ OJ 0J Ul Ul OJ OJ 0J ui Ul Ul Ul 0J 00 0J 0J 0J oo 00 Ul Ul CO CO CO to to CO CO CO eo to eo CO

O VD o vo o lb Ul OJ oo CO eo h-> OJ CO CO CO CO eo CO CO CO CO H o l-> o vo vo vo VD vo vo 00 00 00 ^1 ^J ui

O lb ^J l 00 lb Ul on o co OJ o Ul on CO J CO eo lb Ul Ul CO vo 00 vo 00 01 Ul lb o Ul lb Ol t-> o Ul lb CO Ol CO

OJ 00 ^J on to o 1 on o vo ι Ol o 1 oo ui oo ] o vo lb VD lb o eo lb on vo to Ul ^J l o co on Ol ui lb h-> h-> 1 1 1 1

CO l-» O vo vo vo vo o O VD vo co 00 01 01 01 o o H¹ CO CO 0J lb lb lb lb h-> o o H to 00 lb 01 Ul 01 00 00 on ^3 VO vo OJ CO J OJ UJ CO lb H ro vo Ol CO o l-> J 00 on Ul 00 00 OJ lb eo o lb to to ^1 on OJ VD 00 o o t Ul on CO o J o oo ui on on 00 Ul CO CO eo cn vo 00 to cn on lb on Ul o ^1 vo CO lb vo OJ OJ o Ol o

OJ OJ OJ to to ro OJ OJ OJ OJ 00 Ul CO co co co eo ro to CO eo to co co CO CO CO ro CO co co to to to CO CO to to to CO to

H> VD 00 vo OJ OJ OJ CO o VD 00 -J O cn CO Ul CO J CO OJ OJ lb Ul Ul Ul Ul σi -o on cn Ul on Ul lb Ul Ul lb on

O l-» VD 00 J Ol on 01 01 lb 0J on CO o eo -J o oo H> ^1 CO lb OJ lb o Ul CO 0J VD Ul o o o vo D Ol to on oo on Ul vo lb -J 01 o oo Ul on 00 OJ -o. 0J on VD on 00 Ul lb t-¹ VD Ol to vo on oo ~J -O. CO Ol VD

324 ILE CGI 17..37 29..40 12..69 30..95

324 ILE CDI 18. .22 28. .38 11. .98 31. .31

324 ILE C 14, .52 29, .25 11, .91 31. .92

324 ILE 0 14, .57 28, .09 12, .31 32. .01

325 HIS N 13, .56 30, .09 12, .28 33. .14

325 HIS CA 12, .48 29, .68 13, .18 34. .53

325 HIS CB 12, .65 30, .36 14, .54 35. .51

325 HIS CG 11, .82 29, .74 15, .63 36. .36

325 HIS CD2 10, .64 29, .09 15, .59 36. .61

325 HIS NDl 12, .20 29, .78 16. .95 36. .73

325 HIS CEl 11. .28 29. .17 17, .69 36. .85

325 HIS NE2 10. .32 28. .74 16. .89 36. .99

325 HIS C 11. .14 30. .06 12. .56 35. .06

325 HIS 0 10. .70 31. .20 12, .64 35. .18

326 ALA N 10. .49 29. .07 11, .95 35. .43

326 ALA CA 9. .22 29, .25 11, .27 35. .85

326 ALA CB 8, .90 28, .00 10, .44 35. .99

326 ALA C 8. .03 29, .59 12, .15 36. .14

326 ALA 0 7, .24 30, .48 11, .82 36. .64

327 GLY N 7. .89 28, .90 13. .28 36. .03

327 GLY CA 6. .78 29, .19 14. .18 35. .84

327 GLY C 6. .50 28. .12 15 .23 35. .85

327 GLY 0 6. .04 28 .44 16 .32 36, .08

328 LYS N 6. .77 26 .86 14 .90 35. .54

328 LYS CA 6. .54 25 .78 15 .84 35, .41

328 LYS CB 6. .12 24 .51 15 .11 35, .57

328 LYS CG 4 .71 24 .56 14 .55 35, .61

328 LYS CD 4 .31 23 .23 13 .93 35, .74

328 LYS CE 2 .90 23 .27 13 .38 35. .82

328 LYS NZ 2 .53 21 .96 12 .77 36. .07

328 LYS C 7. .80 25 .50 16 .66 35. .31

328 LYS 0 8. .91 25 .52 16 .13 35 .07

329 THR N 7 .62 25 .24 17 .95 35 .05

329 THR CA 8. .76 24 .97 18 .83 34 .90

329 THR CB 8. .81 25 .97 20 .00 35 .22

329 THR OGl 7 .68 25 .76 20 .86 35 .65

329 THR CG2 8 .77 27 .40 19 .48 35 .57

329 THR C 8 .68 23 .56 19 .41 34 .50

329 THR 0 7 .60 23 .08 19 .75 34 .54

330 VAL N 9 .83 22 .91 19 .51 33 .85

330 VAL CA 9 .91 21 .56 20 .05 33 .19

330 VAL CB 10 .79 20 .65 19 .16 33 .37 OJ Ul Ul OJ oo J OJ 00 OJ OJ OJ oo 00 00 OJ OJ 00 OJ 00 OJ J OJ oo OJ Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ui Ul Ul J OJ J

OJ Ul Ul OJ oo J OJ OJ OJ OJ 00 00 oo oo OJ OJ OJ J 00 OJ J OJ 00 OJ Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul OJ OJ OJ

Ol Ol ui ui on ui lb lb lb lb lb lb lb lb lb oo OJ oo OJ OJ oo 00 00 CO eo eo CO CO CO eo to h-> h-> h-> H> h-> o O o o

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Ki j Ki Ki Ki CΛ CΛ cn cn in cn CΛ CΛ in rs rs ES ts LS t ts ES LS LS LS IS ts ts LS ES O O O O O O O P P P P

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I-¹ oo cn on ^1 on 00 00 vo o CO l-» ^ 01 1 on -J Ul l CO vo oo Ul VD eo lb lb CO -J ~J OJ 01 eo oo cn oo lb lb on ib ~J 01

01 oo o to on 00 h- 00 OJ Ol o -J lb ~J H 00 h- Ol o vo 00 Ul h- cn 01 on I-¹ oo o CO cn cn CO ^1 ui vo CO lb o OJ

00 Ul Ul 00 OJ OJ OJ oo Ul OJ Ul oo oo 00 OJ OJ 0J Ul Ui OJ OJ oo OJ 00 OJ OJ OJ J J OJ OJ Ul oo 00 00 Ul OJ OJ OJ OJ OJ OJ

^1 ^3 ^1 ^1 Ol Ul on Ul ] cn 01 Ul lb lb lb to OJ lb Ul OJ OJ to eo h- co to h- I-" κ> h-» CO CO eo CO to CO CO OJ 0J vo lb Ul M on 00 t to CO ui h-> 01 O ] O vo UJ o Ul o vo lb <S o o co ^1 CO 00 ^1 to CO lb to o oo l Ul ^1 Ul CO

Ol h-> Ul oo co VD 00 cn lb lb vo o ~o CO CO cn lb o on t-¹ on 00 00 on ^1 lb on CO CO 00 - eo cn o -J vo ] on CO VD Ul CO

OJ OJ Ul Ul Ul Ul oo 00 Ul Ul Ul Ul Ul OJ OJ OJ OJ 0J oo OJ OJ OJ 00 Ul Ul 00 J OJ OJ OJ OJ oo OJ OJ 00 OJ J 00 Ul l UJ Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb OJ OJ OJ OJ Ul Ul OJ J OJ OJ OJ OJ OJ OJ OJ OJ OJ OJ oo Ul ui Ul J h- h- h- h- o o o o O O O o O O o vo VD vo vo VD VD VD 00 00 00 00 00 ^1 ι ^1 -J -J o o on cn

IS IS IS IS !Ss ErsS srs IrS > s > > l l > > > > H H H H ι-3 1-3 H > > > > Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ts rs rs rs r 33 31 31 31 31 31 33 33 33 33 33 EC EC EC EC EC EC EC P P P P P P P P P P P P P P P P r β H H β H H 63 63 63 63 63 63 63 63 63 63 63 33 33 33 33 33 33 33 > > > > G G G G G G G G G Ki K; o Ω Ω rn Ω Ω Ω 2 O Ω 2 2 Ω 2 Ω Ω Ω Ω 3 O Ω Ω O Ω Ω 2 Ω Ω Ω Ω 2 Ω Ω Ω O Ω Ω Ω Ω 2 O Ω rs O 63 03 EC EC IS ts D 63 ω > 63 63 03 > 03 > LS LS Ω 03 >

CO h- CO CO h-

1 1 1 1 1 1 1 1 1 1 1

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VO h- H> h- h-> h- h- h- h- h- h- h-" h- h- h- H¹ CO CO eo CO to h- h-> h-> ro CO to CO CO CO eo to to to to CO

Ol ~J ^3 σi O ! 1 VD 00 φ. σi on ib Ul αi -J 00 vo vo vo CO 00 CO o o oo VD oo vo o o o Ol Ol Ul lb Ul to to h-> on Ul Ul CO CO o VD on Ul lb Ul lb h- ~J ui 0J o o H¹ CO 01 00 h- o -J lb lb OJ 01 Ul CO oo OJ o ^1 Ol U) h~ o o ui vo Ul Ul cn Ul 00 OJ ui OJ ~J CO ] cn o CO o 00 Ul CO h- o o 00 CO l 01 lb o 01 00 ui CO on lb ui OJ I-¹ o 00 on Ul h-> h- H l-ⁱ h- -> h¹ h-¹ - h-¹ t-¹ h- - to I to to eo CO CO eo to CO t to CO co to

CO CO ui on lb OJ OJ lb lb φ- 00 CO - ui Ol on ui Ol 00 1 cn 00 oo 00 vo vo o t h- to CO CO eo h- to OJ to Ul lb on Ul

H> oo o CO on lb Ul CO 00 VD Ul h- o vo on lb vo Ol UJ 00 cn 00 h- lb CO oi OJ 00 00 O 1 -J φ. lb UJ O Ul CO o lb on on CO CO co cn Ul 0J 1b oo 00 00 co o CO lb on 00 en CO o lb l co lb CO 01 00 VD VD ro vo to h- φ. OJ lb o to _^J ui vo

OJ J OJ OJ 00 OJ UJ 0J OJ lb lb oo OJ 0J 0J 0J Ul Ul UJ OJ oo 00 00 OJ 00 OJ UJ 0J Ul Ul J 0J ib φ~ lb lb UJ Ul OJ J OJ on cn on on ui on on 1 -J O o o vo vo VD 00 00 ^ ^ 00 00 CO 00 oo oo oo oo 00 CO 00 00 00 00 I-¹ h> t-¹ o vo vo 00 00 CO

^ CO on ^1 vo lb ^J oo lb o CO co cn o ^1 1 oo o o 00 h- h- lb lb Ul Ol Ol o 00 VD vo ~J OJ ^1 ^ 00 00 OJ vo lb on to vo CO Ol CO lb lb H> o -J CO on lb J VD h- oo o oo ] Ul vo cn o lb on lb to on 00 l UJ vo lb OJ -J

oo 00 J Ul Ul Ul oo OJ OJ 00 OJ J OJ Ul Ul 0J 0J OJ J 00 OJ 00 00 l Ul Ul Ul UJ 00 00 00 00 OJ J OJ OJ OJ OO OJ oo 00 o lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

^1 ^■J ^1 -J cn cn on Ol 01 Ol Ol ui ui Ul ui on Ul on on ui lb lb lb lb Ul Ul UJ Ul OJ oo oo oo OJ eo CO CO CO CO CO CO to CO

¹-3 ¹-3 ¹-3 ι-3 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω

Ki Ki Ki P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P

33 33 33 33 P P P P P P P G G G G G G G G G Ki Ki G G G G G G G G G σ G G G G G G G G

Ω Ω Ω 3 o Ω Ω Ω Ω Ω 3 O Ω O O Ω Ω Ω Ω 3 O Ω Ω 3 O Ω O O Ω Ω Ω Ω 3 Ω O Ω Ω Ω 03 > Ω Ω 03 LS LS O Ω 03 o Ω Ω 3 ES o ES Cl Ω 03

CO > - to > > IS LS CJ Ω 03 eo h- > CO >

h- l-^> t-r h- - h- 1

O h- CO eo h- eo OJ CO o VD VD lb Ul on Ul ^1 o -J oo -o cn on lb lb ro ro OJ Ul lb OJ on 0J o o o CO CO oo lb 00 Ol lb OJ -J eo VD lb Ul h- OJ CO h- oo to Ol vo o 01 ^1 Ol o o OJ h- vo Ol h- Ul co co vo on

CO VD co on to ^1 oo h- lb lb OJ OJ h- OJ VD lb Ul oo o on o ui CO ^J CO ui oo ^1 h- Ol CO o to o vo 01 OJ 0J VD oo

CO - eo eo t CO eo CO CO CO to h- h* CO CO to CO CO CO h- to l-> H¹ H h- h- t-> h> t^ to to CO h-¹ H H o VO o o to t-^r h- h- O O 00 VD CO o σ o o VO o VD co oo ^3 00 Ul 1b Ul on O Ol ^1 to VD VD oo oo o cn cn CO h- - o Ul Φ- cn CO on CO lb lb J VD 0J to ro OJ to OJ Ul ui o o 00 o cn lb VD on o o o 1 eo o OJ

CO vo OJ 00 oo h- CO OJ 00 Ul lb VD on O VO co CO 1 lb VD h- VD o OJ CO to to o OJ h- lb Ul Ol 01 cn 1 VD lb

J 00 to o o VD cn ] o 00 00 ^1 ^J o h-¹ O 00 oo ~J 01 lb on lb on Ul ui OJ OJ oo lb on Ol ~J 00 00 O 00 O o VO vo H¹ eo o ^1 oo vo l-> vo Ul Ul to -J 00 OJ CO OO VD Ol ~J 00 lb on OJ Ul 1 OJ o on lb Ol on ^1 -J ^1 ^1 vo O lb 0J oo o

OJ vo 00 oo vo cn 1 vo Ul Ul OJ 1 0J o Ul lb o CO cn O ^1 on OJ o 00 lb on lb cn Ol on h-> CO ^1 h- H-" vo J vo eo CO CO CO eo to t to ro to t to co OJ OJ OJ 0J 00 OJ OJ oo 00 OJ J OJ OJ OJ O OJ 0J OJ OJ OO OJ 00 00 lb 00 00 OJ OJ OJ on o ui cn on Ol ^1 ] ι -j 00 VD vo to o o co co OJ lb Ul Ul ^3 oo ^1 ^1 cn on cn cn Ol VO o vo 00 ^J Ol σi h- o 00 to h- 00 lb ui ui lb OJ OJ on OJ 01 ^J Ul vo OJ ib CO 00 H OJ o o vo o ^l O lb 1 H> lb 01 ^J H" lb ! on VD 00 o on 00 lb φ- lb CO lb ui 00 00 _^) H Ul ^1 OJ on h-> o on vo vo OJ h-> Ol 00 on cn CO VD lb co VD t-- Ul vo ^J lb O OJ on o

OJ OJ OJ OJ OJ OJ 00 OJ OJ 00 OJ OJ oo OJ 00 J OJ OJ J OJ OJ J OJ 0J OJ OJ 00 00 OJ UJ CO oo 00 on on on on on on on n on on on Ul on n on on Ul on n on on lb lb lb lb lb lb lb lb lb lb lb lb eo eo eo eo eo - h- h- h- O O O O O o O o o VO vo vo vo VO vo VD VD 00 00 00 00

TJ TJ TJ TJ TJ ¹-3 ri ι-3 ri β •-3 Ω O Ω Ω Ω Ω Ω Ω Ω H H H H H H H H > r ri r r ri <- h h EC EC EC EC EC EC EC EC EC EC EC EC P P P P P P P P P P P P P P P P P P > > > P >P P t-i ι κ; κ; κi κ; κi κi κ; LS LS LS LS ES 33 33 33 33 33 33 33 G σ G G G G G G G ts rs rs ts is LS IS LS > > > > 33 33 33 33 33 31 33 33

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O to H h-> H H -> h-> vo vo vo o vo vo o o co co eo ro o o o o o on on on on t o vo vo o o on cn oo o on t ui eo cn cn ui ro vo vo on o vo on on vo vo to on

I-¹ (-> oo to o vo o o o o vo o vo on co eo o o vo vo cn on o oo h-> vo cn on o on vo on cn o vo vo eo vo on vo cn ui to to co eo oo on o on ι on o to o _^) en -J to to to eo eo to eo to ro to eo to to t to t to eo to to to cn o l _^) on oi on to to co oo oo cn vo ui on on o oo on o on o on o oo o vo o on vo vo to on o H> on on o o o cn to o on vo o o

463 ASP CG 30..34 14..05 12..85 25..15

463 ASP ODl 29. .20 13. .70 12. .48 25. .12

463 ASP OD2 30. .86 15. ,13 12. .49 24. ,47

463 ASP C 29. .44 11. ,74 14. .98 25. ,68

463 ASP 0 29. .60 11. ,25 16. .09 25. ,79

464 TYR N 28. .29 12. .29 14. .60 24. .97

464 TYR CA 27. .14 12. .31 15. .49 24. .70

464 TYR CB 27. .25 13. .44 16, .53 24. .16

464 TYR CG 27. .20 14. .84 15, .97 24. .00

464 TYR CDI 28. .33 15. .43 15, .40 23. .55

464 TYR CEl 28. .29 16. .72 14, .87 23. .53

464 TYR CD2 26. .01 15. .59 15, .99 23. .58

464 TYR CE2 25. .96 16. .89 15, .46 23. .24

464 TYR CZ 27. .11 17. .44 14 .90 23. .25

464 TYR OH 27, .08 18. .72 14 .39 22. .87

464 TYR C 25, .85 12. .49 14 .70 24. .66

464 TYR 0 25, .95 12, .75 13 .49 24, .49

464 TYR OT 24, .76 12, .36 15 .30 24, .83

511 HOH 0 37. .02 20. .72 28, .34 16. .29

512 HOH 0 17. .56 6. .43 29 .39 21. .50

513 HOH 0 41, .15 19. .20 18 .05 19. .37

514 HOH 0 24, .50 8. .04 34 .47 25, .80

515 HOH 0 14, .63 21. .75 33 .70 31, .88

516 HOH 0 13, .96 19, .88 20 .48 27, .66

517 HOH 0 32, .78 12, .33 34 .79 24, .30

518 HOH 0 3, .96 16, .92 28 .16 34, .38

519 HOH 0 36, .42 17, .56 6 .50 29, .12

520 HOH 0 35, .66 23, .59 34 .91 24, .19

521 HOH 0 21, .25 6 .70 36 .71 35, .17

522 HOH 0 30 .02 11 .55 35 .31 33 .90

523 HOH 0 18 .06 9 .13 16 .64 29 .50

524 HOH 0 35 .72 15 .47 37 .56 33 .08

525 HOH 0 42 .78 15 .35 28 .76 31 .87

526 HOH 0 27, .92 12, .09 2 .87 34, .09

527 HOH 0 8, .76 23, .46 8 .59 29, .45

528 HOH 0 44 .92 16 .70 17 .45 34, .93

529 HOH 0 39 .14 14 .72 34 .16 34, .41

530 HOH 0 31 .27 15 .23 9 .72 22 .41

531 HOH 0 30 .80 11 .41 25 .59 29 .36

532 HOH 0 25 .79 12 .90 45 .62 28 .92

533 HOH 0 12 .08 8 .79 26 .40 28 .64

534 HOH 0 31 .07 14 .59 18 .18 51 .87 535 HOH O 38..18 17.,97 21..35 32..20

536 HOH O 30. ,23 14. .36 32. .72 21. .47

537 HOH 0 33. .10 11. .85 32. .15 31. .08

538 HOH 0 45. ,10 23. ,95 16. .49 23. .20

539 HOH 0 34. .09 16. .46 23. .17 33. .89

540 HOH 0 34. .21 13. .17 24. .89 37. .22

541 HOH 0 30. ,85 8. .17 41. .37 32. .60

542 HOH 0 35. .29 14. .03 14. .38 45. .19

543 HOH 0 18. .71 6. .93 35. .90 36. .48

544 HOH 0 38. .16 15. .63 12. .87 32. .34

545 HOH 0 21. .55 19. .57 36. .95 43. .52

546 HOH o 11. .09 24. .31 5, .41 31. .28

547 HOH 0 23. .17 8. .66 21. .35 37. .61

548 HOH 0 27. .65 23. .36 14. .36 43. .10

549 HOH 0 35. .03 13. .91 40. .11 30. .35

550 HOH 0 37. .17 18. .09 18, .78 44. .07

551 HOH 0 6. .51 9. .28 18, .43 43. .12

552 HOH 0 37. .36 11. .11 26, .58 29. .49

553 HOH 0 18. .87 5. .98 27, .00 30. .77

554 HOH 0 19, .61 6, .14 5, .30 37. .52

555 HOH 0 33. .27 22. .04 38, .55 38, .49

556 HOH 0 8. .96 23, .20 4, .45 53 , .16

557 HOH 0 39, .92 17, .69 35 .90 41, .09

558 HOH o 5, .38 23, .61 23 .55 47, .42

559 HOH 0 19, .36 7, .54 21 .28 65, .37

560 HOH 0 31, .57 25. .20 38 .48 37, .31

561 HOH 0 26, .10 24. .51 38 .99 40, .50

562 HOH 0 39. .08 20. .08 36 .12 45, .19

563 HOH 0 7. .95 20 .98 32 .74 30, .69

564 HOH 0 42. .66 16 .34 32 .93 36, .84

565 HOH 0 14 .06 16 .36 39 .50 66, .57

566 HOH 0 25 .80 7 .84 9 .99 50, .12

567 HOH 0 10 .71 5 .54 18 .25 75, .65

568 HOH 0 0. .04 8 .17 13 .54 82 .20

569 HOH 0 35 .23 9 .47 30 .47 58 .53

570 HOH 0 32 .99 9 .54 38 .11 53 .12

571 HOH 0 27 .05 8 .68 13 .96 63 .38

572 HOH 0 9 .94 19 .77 33 .96 39 .70

573 HOH 0 32 .92 17 .34 47 .17 69 .89

574 HOH 0 30 .14 13 .91 4 .95 41 .95

575 HOH 0 15 .65 9 .74 36 .94 76 .61

576 HOH 0 18 .05 17 .93 38 .67 38 .20 577 HOH O 38..32 19,.93 42,.16 78..97

578 HOH O 42. .07 20, .93 34, .81 32. .14

579 HOH O 21, .46 17, .46 40, .59 60. .75

580 HOH O 21, .42 10, .80 40, .45 40. .30

581 HOH O 12, .35 12, .40 34, .39 38. .96

582 HOH O 22, .51 13, .40 18, .93 44. .54

583 HOH O 32, .38 13, .04 1, .47 89. .58

584 HOH O 24, .68 9, .26 23, .68 38. .96

585 HOH O 29, .92 12, .75 8, .84 55. .60

586 HOH O 37, .77 22, .71 38, .66 73. .57

587 HOH O 43 .56 16 .41 14 .79 41, .10

588 HOH O 28 .63 7 .94 16, .05 73. .48

589 HOH O 24 .20 23 .80 40 .95 73. .37

590 HOH O 4 .45 9 .67 25 .72 84. .34

591 HOH O 27 .64 16 .05 44, .98 34. .20

592 HOH O 13 .36 6 .33 27, .96 61, .60

593 HOH O 25 .61 24 .54 44, .90 45. .26

594 HOH O 22 .95 7 .42 11, .36 63. .72

595 HOH O 24 .54 10 .79 6 .76 41, .40

596 HOH O 44 .64 23 .84 9, .87 38. .95

597 HOH O 32 .37 16 .16 19, .82 86. .87

598 HOH O 35 .35 16 .87 20, .95 71. .97

599 HOH O 24 .67 10 .47 17, .15 32. .45

600 HOH O 37, .03 14 .15 41, .78 59. .50

601 HOH 0 20, .68 14 .90 41, .24 58. .95

602 HOH 0 36. .82 17 .43 3, .85 37. .59

603 HOH 0 26, .43 7. .22 23, .86 89. .46

604 HOH 0 1, .57 20 .86 6, .54 89. .62

605 HOH 0 4, .34 18, .37 1, .72 64. .54

606 HOH 0 31, .73 10 .48 17, .61 57. .73

607 HOH 0 7, .87 5 .80 7, .11 43. .37

608 HOH 0 10, .27 11, .82 32, .80 94. .28

609 HOH 0 43, .48 20, .10 7, .66 88. .71

610 HOH 0 39, .63 14, .93 18, .05 83. .51

611 HOH 0 0, .60 16, .45 8, .19 35. .85

612 HOH 0 17, .19 16, .93 36, .46 46. .16

613 HOH 0 43, .66 26, .07 29, .55 18. .12

614 HOH 0 42, .28 16, .27 25, .18 63. .83

615 HOH 0 5, .04 23, .67 21, .02 52. .73

616 HOH 0 12, .92 16, .86 37, .13 63. .03

617 HOH 0 8, .87 10, .06 31, .03 60. .85

618 HOH 0 10 .67 5 .28 15 .51 65. .27 619 HOH O 23..41 14..14 42..38 48..81

620 HOH O 25. .21 11. .40 4. .08 46. .71

621 HOH O 9. .49 13. .80 31. .06 37. .89

622 HOH O 2. .36 11. .99 19. .88 40. .49

623 HOH O 33. .93 8. .58 43. .14 54. .55

624 HOH O 17. .50 7. .98 14. .06 39. .91

625 HOH O 2. .44 11. .81 29, .67 56. .31

626 HOH O 16. .43 13. .60 41, .20 75. .96

627 HOH O 4, .11 7. .32 4, .56 53. .60

628 HOH O 8. .37 10. .05 28, .40 63, .95

629 HOH O 37. .33 10. .92 15. .23 91. .42

630 HOH O 9. .64 5. .21 5. .31 52. .21

631 HOH O 33. .46 9. .21 14. .81 68. .93

632 HOH O 27. .85 8. .82 34. .77 86. .73

633 HOH O 18. .68 5. .14 19. .66 80. .89

634 HOH O 10. .79 15. .35 35. .49 58. .17

635 HOH O 12. .07 19. .38 36. .56 55. .32

636 HOH O 33, .87 19. .27 45, .43 79, .65

637 HOH O 42, .31 17. .83 34, .93 52, .48

638 HOH O 1, .04 25. .20 11, .43 89, .66

639 HOH O 15, .84 19. .96 39, .95 63, .43

640 HOH O 31, .07 20. .39 39, .28 38, .60

641 HOH O 28, .05 22. .85 37, .73 23, .52

642 HOH 0 11, .39 6. .95 13 .68 33, .06

643 HOH 0 17 .73 3. .89 30, .79 30, .25

644 HOH o 25 .41 6. .97 32 .27 26, .55

645 HOH 0 26, .50 10. .23 46 .83 31, .96

646 HOH 0 38 .87 17, .27 7 .77 29 .75

647 HOH 0 23 .23 13 .22 46 .16 27 .43

648 HOH 0 45 .47 20 .96 16 .35 24 .00

649 HOH 0 37 .94 14 .04 26 .27 55 .21

650 HOH 0 31 .80 6 .41 39 .36 58 .75

651 HOH 0 3 .10 10 .44 5 .03 53 .53

652 HOH Ό 45 .24 19 .91 13 .51 46 .30

653 HOH 0 42 .99 13 .11 30 .31 40 .19

654 HOH 0 31 .01 8 .48 26 .34 48 .42

655 HOH 0 40 .79 17 .73 20 .37 32 .62

656 HOH 0 22 .91 7 .97 16 .44 50 .02

657 HOH 0 19 .31 3 .90 7 .35 73 .87

658 HOH 0 21 .31 3 .79 27 .43 40 .39

659 HOH 0 13 .96 3 .36 20 .59 48 .49

660 HOH 0 32 .70 8 .56 6 .18 74 .60 661 HOH O 39.,32 9..63 28..64 63..83

662 HOH O 16. .68 6. .17 24. .76 54. .77

663 HOH O 35. .44 12. .66 36. .06 45. .82

664 HOH O 35. ,78 15. .08 2. .09 37. .44

665 HOH O 22. .94 4. .86 23. .61 70. .32

666 HOH O 20. .31 7. .40 16. .79 43. .08

667 HOH O 28. .96 11. .27 23. .55 52. .42

668 HOH O 24. .08 20. .84 42. .96 54. .91

669 HOH O 28. .59 18. .29 46. .77 36. .18

670 HOH O 29. .29 12. .15 20. .69 53. .01

671 HOH O 39. .99 14. .80 14. .59 54. .18

672 HOH O 36. .25 9. .12 24. .96 73. .99

673 HOH O 11. .16 8. .09 23. .64 69. .96

674 HOH O 37. .93 24. .56 36. .14 53. .57

675 HOH O 29. .62 23. .91 40. .55 95. .52

676 HOH O 9. .72 23. .22 35. .79 43. .07

677 HOH O 4. .04 15, .47 36. .41 72. .37

678 HOH O 37. .50 12. .61 34. .19 35. .04

679 HOH O 28. .72 10, .53 0. .98 49. .26

680 HOH O 28. .00 13 , .87 46. .67 80. .42

681 HOH O 6. .06 9, .00 22, .47 80. .15

682 HOH O 44, .27 26, .13 14, .08 31. .89

683 HOH O 14, .67 23, .84 35, .47 68, .57

684 HOH 0 4, .74 21, .37 5. .37 53. .42

685 HOH 0 9. .70 24, .87 1. .25 78. .07

686 HOH 0 41. .86 13, .65 33, .27 69, .37

687 HOH 0 11, .64 24, .78 38, .83 61, .83

688 HOH 0 14, .34 6, .28 14, .33 79, .84

689 HOH 0 1, .62 10, .35 25, .02 65. .21

690 HOH 0 28. .38 8, .46 3, .47 77. .51

691 HOH 0 39, .42 11. .69 9, .12 49. .63

692 HOH 0 18, .18 4, .55 9, .98 50. .65

693 HOH 0 26, .98 28, .19 20. .69 14. .71

694 HOH 0 34, .40 15 .70 27. .91 19. .89

695 HOH 0 30, .21 39 .34 16. .08 18. .23

696 HOH 0 30, .38 32 .05 25. .86 20. .97

697 HOH 0 37 .53 30 .73 27 .96 21. .75

698 HOH 0 30, .67 27 .72 34. .20 24 .40

699 HOH 0 41 .26 25 .17 31 .92 16. .15

700 HOH o 22 .28 56 .80 3 .40 20 .27

701 HOH 0 29 .64 39 .53 5 .95 22 .14

702 HOH 0 16 .22 33 .18 9 .35 22 .20 703 HOH O 38..22 35.,80 21.,08 17.,52

704 HOH O 42. .23 36. .75 17. ,95 26. ,40

705 HOH O 23. .98 9. .15 47. ,77 22. ,30

706 HOH O 32. .47 39. .84 22. ,20 16. ,86

707 HOH O 24. .77 30. .99 16. .52 18. ,29

708 HOH O 32. .36 43. .26 16. .01 21. .18

709 HOH O 23. .65 35. .27 7. .01 17. ,70

710 HOH O 15. .14 26. .62 5. .34 25. .25

711 HOH O 28. .65 28. .47 8. .46 23. .98

712 HOH O 33. .48 27. .27 34. .27 28. ,30

713 HOH O 23. .86 33. .85 2. .26 21. .90

714 HOH O 24. .05 50. .02 0. .00 21. .44

715 HOH O 13. .03 25. .54 3. .65 29. .22

716 HOH O 28. .54 30. .42 10. .78 20. .82

717 HOH O 22, .69 14. .85 3. .54 23. .72

718 HOH O 16, .72 41. .13 1. .05 28. .05

719 HOH O 39, .06 41. .84 16. .71 24. .49 720 HOH O 29, .95 37. .75 2, .18 27. .15

721 HOH O 39, .71 27. .11 32. .97 26. .49

722 HOH O 45 .08 38, .90 25, .16 21. .44

723 HOH O 35 .21 40, .68 10. .93 26. .19

724 HOH O 25 .82 54, .45 13. .70 21. .29

725 HOH O 45 .08 19, .45 25, .16 21. .44 726 HOH O 9 .18 27, .93 3, .95 32. .98 727 HOH O 27 .91 39, .31 3, .24 27, .39

728 HOH O 37 .71 40, .67 25, .65 29, .41 729 HOH O 26 .44 35, .90 5, .60 24, .56

730 HOH O 39 .85 27 .78 7, .20 29, .62

731 HOH O 17 .40 4, .23 33. .59 30, .37

732 HOH O 40 .34 33 .95 28 .03 23, .41

733 HOH O 11 .67 23 .34 26 .57 25, .85

734 HOH O 29 .34 47 .71 3 .07 27, .79 735 HOH O 28 .88 23 .96 -3 .01 30, .33

736 HOH O 34 .15 47 .84 11 .91 32, .38

737 HOH O 35 .70 42 .21 13 .11 24. .47

738 HOH O 26 .54 26 .20 -3 .92 30 .32 739 HOH O 13 .54 44 .67 18 .01 29 .96

740 HOH O 19 .90 14 .16 -3 .33 34 .69

741 HOH O 28 .78 36 .40 -2 .15 41 .02

742 HOH O 17 .31 47 .36 0 .65 31 .40

743 HOH O 15 .27 25 .59 -2 .68 38 .33

744 HOH O 19 .25 32 .40 10 .23 30 .67 745 HOH O 20..86 42..51 23..77 36..96

746 HOH O 15. .36 45. .41 20. .46 34. .61

747 HOH O 12. .13 37. .09 12. .85 32. .71

748 HOH O 20. .42 16. .95 -11. .58 32. .35

749 HOH O 16. .72 35. .81 22. .90 28. .92

750 HOH O 18. .18 42. .17 24. .01 40. .35

751 HOH O 12. .29 45. .60 2. .14 57, .84

752 HOH O 26. .61 35. .78 1. .01 32, .30

753 HOH O 33. .20 50. .56 13. .94 40, .34

754 HOH O 26. .26 45. .45 0. .53 35, .67

755 HOH O 18, .69 21. .47 -6. .01 33 .67

756 HOH O 15, .16 32. .80 25. .82 44 .93

757 HOH O 14, .76 58. .38 2. .14 54 .33

758 HOH O 32, .40 38 .03 26. .02 46 .82

759 HOH O 24. .61 29. .61 -5. .87 36 .83

760 HOH O 43. .16 13. .36 35. .83 50 .52

761 HOH O 16, .92 51. .43 3. .85 28 .22

762 HOH O 1, .57 3. .25 18 .25 55 .76

763 HOH O 34, .45 28 .24 -3. .19 33 .06

764 HOH O 30. .41 32. .47 30. .99 38 .16

765 HOH 0 45, .48 35 .62 22. .83 34 .52

766 HOH 0 0, .86 5 .93 4. .60 66. .63

767 HOH 0 16, .93 37 .24 30. .48 35 .56

768 HOH 0 24, .65 52 .37 20. .36 37. .24

769 HOH 0 2, .24 5 .49 -1. .44 57. .13

770 HOH 0 31, .50 52 .71 7, .83 41 .02

771 HOH 0 29, .51 38. .60 24, .43 33, .23

772 HOH 0 27, .05 50. .02 0, .00 21, .44

773 HOH 0 25. .16 44 .34 23, .89 34 .93

774 HOH 0 10. .96 43 .07 16, .03 26, .69

775 HOH 0 43. .34 28. .59 32, .42 45, .41

776 HOH 0 15. .07 53 .48 3, .07 33 .25

777 HOH 0 28. .34 17. .28 -15, .04 50, .72

778 HOH 0 35, .34 43. .42 22, .24 38, .73

779 HOH 0 6, .13 4. .98 2, .07 57 .03

780 HOH 0 -0. .18 0 .97 15, .05 57, .46

781 HOH 0 11, .17 45. .43 19, .13 36, .91

782 HOH 0 26, .92 55 .23 6, .56 34, .90

783 HOH 0 39. .64 39 .53 13, .06 53 .79

784 HOH 0 33. .44 46 .63 15, .46 37, .57

785 HOH 0 4. .22 1 .68 4, .92 61, .91

786 HOH 0 20 .43 29 .29 14 .83 42 .99 oo oo oo 00 oo 00 00 00 00 00 00 CO 00 CO CO 00 00 00 00 00 00 00 00 00 00 00 00 00 00 ^1 ] ] ^1 ^1 ^1 _^I ^j ^1 ^1 ^1 ^1 ^I

CO eo CO eo CO CO CO CO to v v v v v v H> O o o o o o o o o o VD o vo vo vo vo vo vo VD VD 00 00 00

00 ^1 cn on lb OJ CO J^V o VO CO ^1 01 ui lb OO CO v O VD 00 ^J cn on lb oo eo v o vo oo o on Ul lb oo CO v o VD 00 -J

EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC

(3 Ω O O (3 o C) O O o o o O C) CJ (3 O <) o o O C) () o o o C) (3 Ω O o O O O (3 o O O O Ω

EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC

O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O

oo 1 v OJ eo H> OJ lb Ul v 00 OJ CO co v co 00 OJ 00 lb CO to OJ OJ 00 to co OJ 00 co 00 lb v o H> o cn lb OO OJ to OJ vo vo CO ^1 ^3 CO 00 vo vo lb on lb CO cn vo OJ -J on |v on OJ on o o CO lb ui on vo ^1 vo ui oo

VD oo v eo Ul OJ on lb OJ o lb o Ul ^1 00 1 vo CO ^1 co ] Ui on vo O σ to vo lb o lb co vo 00 O oi lb OJ cn CO Ol

CO v lb Ul o lb 00 ^1 vo to CO OJ ^1 lb o v Ol OJ oo Ol v 00 oo 00 o to 00 on lb VO ~J lb o eo vo OJ ^1 o ui v J CO CO lb oo Ul OJ CO lb Ul lb to CO on H Ul CO Ul on OJ lb oo OJ oo oo CO oo oo 0J CO oo lb 0J OJ oo CO t VD ] Ol v 00 on to lb o cn VO lb Ul eo VD lb co ι oo o oo oo CO o o ι oo ι on ui o 00 on vo CO ^j CO ^1 o 00 OJ oi OJ to H> OJ to OJ o CO lb CO CO Ol | O cn o eo lb |v lb Ul 00 00 OJ on vo OJ 00 Ul 00 on on Ul eo o o oo vo lb CO

Ul VD v CO OJ cn Ul o CO CO lb h-> CO CO _^) ^1 00 o Ul h-> |v 00 VD o vo CO o v 00 cn ~J Ol o eo lb o co Ol 00

1 eo CO H> CO 00 CO CO v 1 1 1 eo 1 h-> v OJ OJ eo |v eo oo eo t->

00 CO VO OJ CO 00 vo on on 1 o OJ en oo 00 lb lb oo 00 l lb CO on CO lb VO oo lb eo lb CO 01 vo vo vo eo -j lb H lb lb Ol Ul CO VO |v CO eo cn OJ en ] O ] J on H> cn CO -j Ul VD o oo eo 1 oo VO lb eo « vo o CO h-> H> H> lb cn 00 vo 00

Ol Ol v O CO lb eo on OJ on o Ul en on CO VO v o V lb lb v o v VD on v cn o v lb o 01 eo lb v cn lb vo ui CO

OJ oi Ul OJ Ul on cn on lb on lb ^1 Ul Ol Ul Ul Ol lb OJ Ul lb Ul Ul 00 lb 0J ro OO CO 00 CO CO CO CO to CO lb on oo CO lb on

|v Ui VO vo h> on OJ CO H> o v lb VO Ul 00 ^1 o v cn Ul Ul eo ^1 cn O CO oo O 00 lb Ol on CO lb v v oo vo 00 01 co

Ol 00 00 ui Ul h-> lb to vo on OJ CO ui 00 lb 00 VD Ol lb ui VD lb ui CO oo oo 00 oo ! vo o 01 cn v lb oo CO to 00 -j u H> o Ul o |v CO on v CO o to ι lb 01 lb 00 v Ol CO vo v lb vo oo v ! on o on CO o CO vo o ] 0J 00 VD -j o 00 Ul on

829 HOH O 38..20 44,.59 5,.74 62..07

830 HOH O 46. .06 32. .20 19, .90 32. .86

831 HOH O 43. .31 37. .29 23, .62 41. .34

832 HOH O 1. .49 6. .11 15, .18 77. .21

833 HOH O -3. .42 18. .63 16, .74 62. .93

834 HOH O 40. .18 35. .20 8. .11 73. .67

835 HOH O 28, .07 6. .88 30, .22 55. .93

836 HOH O 25, .12 50. .63 22, .46 56. .46

837 HOH O 30, .21 49. .96 14, .96 41. .53

838 HOH O 44, .21 0. .18 26, .37 51. .60

839 HOH O 27 .08 28. .88 -5. .17 40. .75

840 HOH O 12 .73 37. .91 18, .65 55, .99

841 HOH O 13 .44 43. .29 1, .64 51, .55

842 HOH O 9 .57 25. .25 25, .56 53, .84

843 HOH O 15 .72 36. .43 0, .93 51, .34

844 HOH O 12 .34 32 .36 28, .93 42, .29

845 HOH O 19 .58 -1. .60 2, .75 55, .03

846 HOH O 45 .27 35 .63 15, .01 58, .11

847 HOH O 32 .14 49. .18 1, .56 49, .83

848 HOH O 21 .29 41 .71 26, .48 37, .86

849 HOH O 41 .98 21 .65 -9, .25 54, .57

850 HOH O 23 .22 7. .82 3, .13 59, .35

851 HOH O 8 .36 37 .44 13, .12 49, .05

852 HOH O 28 .55 34 .08 34, .80 51, .12

853 HOH 0 14 .27 10. .19 33, .86 53, .28

854 HOH 0 8, .48 -1. .75 20, .52 58, .93

855 HOH 0 16 .62 24. .66 -6, .06 47, .50

856 HOH 0 14 .67 35. .19 30, .05 53. .25

857 HOH 0 11 .60 12. .79 43, .47 61, .63

858 HOH 0 30 .08 40. .59 27, .57 52, .19

859 HOH 0 4 .15 43. .67 3, .87 69, .86

860 HOH 0 45. .15 30. .11 34, .05 49. .01

861 HOH 0 40, .84 43. .87 22, .46 41. .60

862 HOH 0 2 .63 28. .30 7, .81 55. .81

863 HOH 0 6, .60 24, .12 28, .98 58. .17

864 HOH 0 43 .55 -6, .33 30, .03 53, .88

865 HOH 0 32 .98 34, .16 0, .06 41, .47

866 HOH 0 11, .37 48, .34 20, .86 58, .27

867 HOH 0 38 .22 37, .67 1, .55 65, .48

868 HOH 0 34, .01 14, .34 -0, .64 62, .22

869 HOH 0 13, .79 47, .34 1, .16 42, .06

870 HOH 0 17 .98 12 .53 -4 .92 53 .77 871 HOH 0 14.,03 35..24 -1..32 44..68

872 HOH 0 35. .81 47. .30 19. .11 63. .46

873 HOH O -2. ,33 24. .71 22. .87 40. .14

874 HOH O 10. .84 58. .34 2. .74 57. .44 875 HOH O 5. .09 41. .36 5. .50 58. .67 876 HOH O 32. ,85 51. .09 3. .47 53. .39 877 HOH O 31. .57 15. .93 -14. .27 46. .86 878 HOH O 24. .70 -0. .82 3. .17 60. .76 879 HOH O 20. .65 12. .11 -11. .81 47. .04

880 HOH O 25. .80 7. .82 20. .08 51. .66

881 HOH 0 36. .81 14. .16 -12. .68 65. .41

882 HOH O 24. .84 1. .75 23. .73 56. .81

883 HOH 0 42. .39 37. .36 15. .33 37, .67

884 HOH O 41. .02 29. .46 33. .28 54. .43

885 HOH O 16. .79 27, .52 21. .27 55. .18

886 HOH O 40. .61 6, .26 26. .82 68. .63

887 HOH O 36. .77 31, .38 -5. .77 72, .57

888 HOH 0 4. .90 24, .64 18. .38 63, .63

889 HOH O 8. .68 41, .02 18. .25 55, .39

890 HOH O 4. .87 -0, .68 10, .32 63, .34

891 HOH O 32. .04 35, .42 -3 , .25 49, .88

892 HOH O 15. .71 -1, .17 22, .01 63, .21

893 HOH 0 37. .28 26, .57 31, .92 38, .76

894 HOH O 30. .70 32, .76 33 , .77 40, .74

895 HOH O 39, .22 44, .28 15, .16 41, .71

896 HOH O 13 , .63 39. .11 20, .92 58, .91

897 HOH O 28, .75 4 .89 31. .86 49, .77

898 HOH 0 34, .88 32 .07 0. .02 35, .71

899 HOH O 2, .52 0 .39 11. .84 49, .97

900 HOH O 43, .35 38 .66 21. .34 33, .45

901 HOH O 41, .88 8 .59 33. .60 55. .67

902 HOH O 2, .85 -2 .93 19. .30 71 .90

903 HOH O 26, .88 9 .88 -2. .88 59 .48

904 HOH O 29, .66 52 .44 16. .68 43 .78

905 HOH O 24, .51 24 .36 -5. .84 59 .86

906 HOH O 45 .08 13 .34 25 .16 21 .44

907 HOH O 7 .66 6 .77 25 .74 64 .07

908 HOH O 11 .48 19 .55 -6 .71 45 .45

909 HOH O 5 .42 23 .94 34 .08 62 .49

910 HOH O 36 .30 46 .52 2 .79 54 .02

911 HOH O 14 .38 28 .95 22 .18 45 .03

912 HOH O 39 .13 46 .54 21 .17 64 .00 913 HOH O 36..50 7..45 -2..17 59..88

914 HOH O 37. .15 53. .99 9. .63 67. .94

915 HOH O 7. .72 49. .06 18. .51 72, .23

916 HOH O 46. .12 24. .28 13. .89 45, .24

917 HOH O -1. .64 13. .01 8. .19 59, .95

918 HOH O -0. .99 7. .79 21. .97 80, .39

919 HOH O 45. .08 -8. .89 25, .16 21, .44

920 HOH O 9, .89 48. .57 26, .68 63, .97

921 HOH O 18, .89 -1, .59 16, .41 68, .79

922 HOH O 6. .15 41, .73 20, .92 60, .82

923 HOH O 37. .27 0. .00 0. .00 21, .44

924 HOH O 31. .19 5. .33 -7. .09 56. .82

925 HOH O 2. .85 15. .18 -6. .35 52. .94

926 HOH O 7. .68 19. .52 -8. .30 47. .61

927 HOH O 26. .76 39. .19 -0. .32 37, .35

928 HOH O 26. .25 30. .33 40. .77 41, .95

929 HOH O 11. .54 35. .82 24. .62 68, .93

930 HOH O 37. .69 40. .53 6, .89 36, .36

931 HOH O 45. .50 39, .74 17, .36 51, .63

932 HOH O 24. .98 28, .66 -8, .57 52 .98

933 HOH O 27. .65 35, .32 40, .24 67. .21

934 HOH 0 7. .61 31, .84 6, .33 45 .19

935 HOH 0 7. .62 61, .01 4, .16 51 .86

936 HOH 0 30, .37 44, .12 -0, .01 51 .67

937 HOH 0 2. .63 8, .57 -9, .04 63 .26

938 HOH 0 13 .17 39 .66 24. .60 70 .47

939 HOH 0 6 .01 50 .02 0. .00 21 .44

940 HOH 0 31 .64 5 .24 14 .68 69 .24

501 C02 CO+2 21 .48 25 .85 16 .14 53 .61

502 C02 CO+2 18 .46 25 .70 16 .30 53 .08

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CO CO 00 Ol VD ^1 co lb o |v 00 v lb oo on on o Ul OJ |v to o ^1 oo OJ Ul lb vo to eo OJ oo lb CO |v CO o to o vo lb lb CO o oo VD ui 00 00 vo 00 o lb Ul vo on 01 oo on ^J 00 Ul vo on 00 00 vo v 00 cn VO lb on VD vo

1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 cn oo ^1 VD 00 vo cn Ul lb lb co CO CO oo 0J lb lb v 00 CO OJ lb on ^1 cn 00 Ol on ui VD 00 ^J on on lb OJ CO oo

VD v OJ Ul Ol 1 v vo oo on lb Ul vo Ul Ul 00 lb VD CO 00 1 Ol 00 ^1 CO cn on OJ OJ on Ol OJ CO v vo OJ Ul vo CO v ^ ^1 cn v VD on Ol on VD o Ul on to Ul lb to OJ vo oo VD co co o cn lb vo lb Ol vo o v to v on vo eo O lb on ^1 ^1 t ^1 ^1 1 ^1 ^J ^1 ^1 o ^1 ^1 ^1 ^1 ^1 ^j J 1 1 ^1 ^1 vo o o on on OJ v CO CO CO eo eo eo eo OJ OJ 00 v to to OJ OJ 00 OJ lb lb on on Ul Ol cn cn cn on on on ^1 ui o ui Ul ^1 vo 00 Ol t 00 to OJ Ul lb lb 00 cn o Ul v lb on CO o Ul CO Ol OJ on CO vo o on ^3

Ol lb on OJ lb Ol ui lb vo v CO 00 to o vo lb o oo eo v lb o VD 00 00 ^j Ul oo OJ o lb on CO CO 00 Ol lb oi CO ib

v H> v t-> H¹ v v v v v t-> |v v v v v v v v en 01 O Ol Ol 01 O Ol Ol 01 01 cn 01 Ol Ol 01 01 01 Ol 01 01 Ol 01 01 01 Ol Ol 01 Ol cn cn cn cn Ol on Ol Ol Ol 01 Ol Ol 01 cn 01 01 Ol Ol on on on Ul ui Ul Ul Ul ui lb lb lb lb lb lb lb lb lb OJ 00 00 00 00 oo 00 o oo to CO to to CO to v |v

H i-i H H H H H H H H H H H H Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω CΛ CΛ CΛ CΛ CΛ CΛ > D > >

33 33 3J 33 33 33 P P P P P P P P P P P P P P P P P P P P P P P P P P ts rs rs rs rs rs P I-" P P

TJ TJ TJ TJ T3 TJ ts ts ts LS LS LS ES LS G G G G G G G G G G G G G G G G G G 33 33 33 33 33 33 > >

Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω o Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω

LS Cl 63 03 D 63 63 03 ts LS σ 63 03 ES ts α 63 00 > 63 03 > 03 >

v v v v v v v | v l-^> | v v v v v v eo OJ lb Ul lb on lb O to to lb 00 Ol on 00 lb lb lb lb lb oo on lb Ul OJ lb lb OJ OJ CO vo vo VD CO 00 cn ^J

CO on OJ OJ cn on 0J on Ol o VD v O v Ul o ui lb 00 VD |v cn VD ui to o vo CO o ro oo o cn lb H 01 OJ Ol o Ol v to CO vo l co VD o Ul oi on on v lb co 0J cn o vo Ul ui 0J 00 co 1 co OJ Ol 00 CO vo lb o 00 Ol on v

N> v v v CO to CO CO eo CO CO CO CO CO CO CO I CO CO CO v v v v v v v H ^3 ^1 Ol ^1 00 vo v O eo CO CO v v O v 0J eo |v o vo CO lb OJ lb Ul cn ^1 00 00 vo 00 00 VD CO

O Ul CO O lb lb VD ^J lb 00 cn O CO VD CO o o lb OJ to vo 1 on on lb o Ul Ul to on vo 1 00 |v CO o ^1 OJ cn o |v on |v CO OJ CO Ul on VD CO on ^1 on VD oo to lb Ul 00 co lb Ol CO vo lb 00 v cn VD 1 Ol v VD o eo

1

1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 O O CO eo CO 0J v eo CO lb lb on O VD VD oo 01 01 on Ul Ul ui ui ^J Ul Ul OO lb 00 00 lb on O ^1 ui lb lb lb to O co OJ o J vo 00 01 O 01 ^1 oo lb lb lb |v ^1 o vo v o oo ^1 _^ lb lb oo on eo 1 o 0J

00 Ol 00 VD 00 ^1 Ul lb on 0J v oo cn v 1 on o vo oi to 00 oo on CO vo Ol o vo oo vo 01 on Ul CO OJ 01 vo lb v co on on Ul Ul on on Ul Ul on on on on on on on on 01 on cn 01 O O Ol on on cn Ol Ol cn Ol Ol cn 01 en cn 01 cn 01 01 Ol on en

CO CO CO |v CO CO lb cn on on on lb cn ^1 oo cn lb o o Ol Ol ui lb OJ CO oo lb lb Ul lb Ul 01 1 VD co lb eo on on ^J vo 0J Ul vo Ol CO vo oo 01 O ui lb 01 co 00 oo ^1 01 vo vo lb VD VD lb CO vo | lb 01 CO o on o 01 en CO VD vo o on eo Ol oo o v on to VD VD H to 01 00 00 | CO CO lb v o CO ^1 o 00 cn CO vo 00 00 00

H h-> -> t-^> H h->

_^) ~J -J on cn cn cn on cn cn on en cn σ on o o o o o o vo o vo vo vo co -o ι -o o cn cn oi oi

> > > > > > > TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ > > > > > > > > i 1- ι-3 ι-3 ι-3

33 33 33 33 33 33 33 EC EC EC EC EC EC EC EC EC EC EC CΛ C >Λ CΛ in C >Λ cn C >Λ CΛ in C >Λ cn cn cn ω > > > cn cn 33 33 33 33 33 33 33 33 Ω Ω Ω Ω Ω Ω Ω ts ts ts ts ts t t t ts ts ts TJ TJ TJ TJ TJ TJ TJ TJ 3 3 3 3 3 3 3 3 T3 TJ TJ TJ TJ TJ TJ TJ

Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω 3 Ω Ω ts ts D Ω 03 > t ts ts LS O ES

t-» v eo H v 00 vo o o o o on on o vo oo oo oo o vo o o oo o o eo eo

vo to⁾ to v v eo to eo eo to eo ro eo eo ui vo o o to CO v o eo o vo vo vo oo oo cn o co |v vo co lb o o on o oo o vo cn -0 lb cn cn lb vo ui o co vo o eo on o on o cn Ul vo CO oo vo Ul o oo lb CO lb

1 1 1 1 1 O o o o o |v oo to oo o o o lb eo OJ on on on o eo o co o o Ul v vo o en on o co oo on on on to on o co lb on vo on o on oo vo on oo vo Ol OJ lb lb oo lb lb lb lb lb lb lb lb on Ul on on ui on on

O o vo o co t o o o o o o co on Ol o o eo co to eo to on on 01 lb on vo Ul o on o on co o oo o 01 ui lb oo ui oo o oo cn eo v on on on lb cn

170 ARG NHl 17..42 14..21 -3..02 39..92

170 ARG NH2 16. .01 13. .65 -1. .30 41. .34

170 ARG C 22. .64 18. .79 0. .07 38. .62

170 ARG 0 23. .68 18. .40 0. .61 38. .42

171 GLU N 22. .63 19. .73 -0. .86 36. .88

171 GLU CA 23. .87 20. .39 -1. .22 35. .59

171 GLU CB 23. .64 21. .39 -2. .34 36. .52

171 GLU CG 24. .85 22. .24 -2. .67 36. .80

171 GLU CD 24. .59 23. .12 -3. .87 37. .50

171 GLU OEl 23. .41 23. .41 -4. .13 37. .92

171 GLU OE2 25. .57 23. .52 -4, .54 37. .31

171 GLU C 24. .33 21. .10 0, .05 34. .35

171 GLU 0 25, .50 21. .02 0. .45 32. .83

172 ALA N 23, .39 21 .79 0. .70 33. .72

172 ALA CA 23, .68 22 .51 1. .94 33. .39

172 ALA CB 22, .45 23 .26 2, .40 32. .51

172 ALA C 24, .16 21 .57 3 , .06 34. .02

172 ALA 0 25, .00 21 .96 3, .88 35 .18

173 ALA N 23. .64 20 .35 3. .10 33 .75

173 ALA CA 24. .04 19 .40 4. .15 33 .40

173 ALA CB 23. .03 18 .28 4. .26 32 .22

173 ALA C 25. .42 18 .83 3. .92 33 .28

173 ALA 0 26, .17 18 .59 4. .86 32 .26

174 GLU N 25, .75 18 .60 2. .65 33 .13

174 GLU CA 27 .05 18 .04 2. .32 32 .77

174 GLU CB 27, .11 17 .69 0. .83 32 .98

174 GLU CG 28 .33 16 .89 0. .38 33 .51

174 GLU CD 28 .62 15 .66 1. .24 34 .34

174 GLU OEl 27 .68 15 .09 1. .85 35 .18

174 GLU OE2 29 .80 15 .24 1. .30 34 .29

174 GLU C 28 .11 19 .05 2. .72 32 .59

174 GLU 0 29 .14 18 .68 3. .29 33 .84

175 ALA N 27 .87 20 .33 2, .44 31 .24

175 ALA CA 28 .83 21 .36 2. .82 30 .51

175 ALA CB 28 .34 22 .76 2. .37 30 .00

175 ALA C 29 .01 21 .32 4 .34 29 .85

175 ALA 0 30 .14 21 .35 4 .83 30 .10

176 HIS N 27 .89 21 .23 5 .06 28 .89

176 HIS CA 27 .93 21 .20 6 .53 29 .29

176 HIS CB 26 .50 21 .20 7 .09 27 .34

176 HIS CG 26 .43 21 .52 8. .56 29 .82

176 HIS CD2 26 .03 22 .64 9 .21 28 .93 v v H> v jv h-> v jv h-> t-» |v |v |v v v H> K> jv co CO co 00 00 CO 00 00 00 -J ] 1 -o -O ^1 ^1 -J ~J -o ! -o. -J ] ^ l 1 -0 1 -J ] ] 1 1 ^1 ^1 ^J ^1 o o o o o o o o VO VD VD VO vo vo VD oo 00 00 00 CO CO CO CO CO l -0 1 -J l l 1 1 1 cn 01 O Ol 01

> > > > > < < < < < < < Ω Ω Ω Ω Ω Ω Ω Ω Ω ! > > > > EC EC EC EC EC

33 > 33 33 33 33 33 33 33 33 33 > > > > P P P P P P P P P 33 33 33 33 33 33 33 33 33 33 33 H H H H Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P 2 2 2 2 2 2 2 2 2 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Cn cn cn cn cn

Ω 2 2 Ω 3 Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω 2 O Ω 2 O Ω Ω Ω Ω 3 O Ω 3 2 Ω 2 Ω Ω Ω Ω 2 O Ω 2 Ω 2 EC EC LS ES O Ω no > Ω Ω 03 > ES ES D Ω 03 EC EC ts ES ti 63 03 > ts ts ti co CO v CO t-r eo jv CO j |v

oo to CO CO CO CO 00 00 0J 0J OJ oo OJ OJ 00 00 o 00 OJ 0J Ul Ul Ul 00 OO OJ oo OJ eo eo eo eo eo eo eo CO eo co CO CO CO to

OJ Ol Ol ^1 00 VD o to CO lb 00 to t to 0J eo lb OJ eo Ul to to to to H o ui lb on cn ι ι oo vo oo vo 00 Ol 01 cn on vo Ol lb O v oi lb 0J OJ OJ ro on |v o lb lb CO o 00 VD on oo cn Ol 00 to -j cn vo lb on 00 Ul on lb o |v oi 00 lb CO H> o lb on OJ 00 to VD o 00 | lb 00 cn Ol 01 vo o vo o vo o o VD lb on lb CO VD o o vo oi Ul 00 lb o _k

H h-> | j to ro CO to to to CO ro to h-> H |v tv H v v H v H H v CO CO CO CO CO vo on ] on 1 co CO VD o o -> | 00 lb 00 o VD VD ^1 oo -o ] oo 00 CO ^1 -o Ul lb lb lb lb on 01 ~J 00 o o to v o

CO lb Ol ~J o lb Ul CO OJ ~0 01 lb ] O o oo ι on ^1 v Ul ^3 Ul l on 0J lb oo -o CO ^1 lb ι lb Ol CO |v o ui 01

Ol CO VD on on 00 o lb OJ Ol eo o oo ^3 CO 00 co lb o 00 00 Ul 00 vo ] ] vo 00 ^1 00 ^1 O OO lb CO on lb on v vo ^) CO

W> h-> |v H H o o vo o o o o j o VD vo CO on CO -J ! 01 on 01 o M CO oo ui ui ^•J cn eo on lb lb on on Ol Ol cn CO ^1 o o vo

00 to ] co cn ] on cn CO on l to jv 00 OJ o cn v lb vo ^1 CO Ul ui ^ oo o o *> ι on o vo lb o o ui ^1 on eo on Ul OJ vo OJ eo oi co h-> vo lb CO CO on vo to lb o CO -J lb on cn Ul CO H Ul lb vo O on CO 03 o ι 00 vo on CO 00 J to to CO 00 OJ oo 0J oo eo ro 00 to OO eo 00 00 OJ OJ OJ oo Ul 00 00 00 CO eo eo 00 eo CO CO CO CO eo CO to CO CO oo oo CO eo oi 00 VD |v vo vo o VD v vo o o 00 ^1 cn lb CO H> VD CO vo o cn 00 vo vo 00 vo 00 00 o oo to vo on o VD o -J v ^1 VD o 01 CO ui ] oo lb CO oo CO CO H Ul 01 00 ^1 H Ol ] Ul H VD CO v en ι 00 eo 00 00 o 00 00

01 vo CO o l CO -J CO to ui ] cn OJ O vo 00 Ol -J Ul vo Ul CO OJ v VD 0J CO lb OJ oo o vo on 00 Ol 00 cn Ul vo vo lb o

180 ARG 0 34.,20 19.,24 11..86 30.,09

181 LYS N 33. .72 18. ,38 9. .84 33. .66

181 LYS CA 34. ,73 17. .33 9. .97 35. .94

181 LYS CB 34. ,65 16. .36 8. .79 38. .88

181 LYS CG 35. .39 15. .06 9. .02 43. ,68

181 LYS CD 34. .66 14. .20 10. .05 48. .41

181 LYS CE 35. .45 12. .94 10. .43 50. .38

181 LYS NZ 35. .76 12. .05 9. .26 52. .03

181 LYS C 36. .08 18. .03 9. .99 35. .06

181 LYS 0 36. .98 17. .67 10. .75 35. .40

182 TYR N 36. .21 19. .05 9, .15 34. .75

182 TYR CA 37. .43 19. .85 9, .08 35. .^"06

182 TYR CB 37. .29 20. .83 7, .90 35. .76

182 TYR CG 38. .38 21. .86 7, .77 37. .48

182 TYR CDI 39. .72 21. .51 7. .75 38. .19

182 TYR CEl 40. .72 22. .48 7. .62 39. .74

182 TYR CD2 38. .05 23, .21 7, .64 37. .42

182 TYR CE2 39. .03 24, .19 7. .50 39, .16

182 TYR CZ 40. .36 23, .81 7. .50 39. .85

182 TYR OH 41. .33 24, .79 7. .37 42. .34

182 TYR C 37, .61 20, .57 10 .43 35, .44

182 TYR 0 38, .68 20, .51 11 .04 34, .82

183 VAL N 36, .56 21, .24 10 .90 33, .95

183 VAL CA 36, .64 21, .94 12 .19 34, .26

183 VAL CB 35, .27 22, .56 12 .59 33, .06

183 VAL CGI 35, .35 23. .16 14 .01 32, .57

183 VAL CG2 34, .88 23, .63 11 .59 31, .62

183 VAL C 37, .08 21 .00 13 .31 35, .32

183 VAL 0 38, .01 21 .29 14 .05 36. .24

184 MET N 36, .41 19 .86 13 .41 37 .13

184 MET CA 36 .71 18 .87 14 .45 39 .11

184 MET CB 35 .80 17 .64 14 .29 42 .32

184 MET CG 34 .29 17 .93 14 .51 48 .05

184 MET SD 33 .08 16 .79 13 .67 55 .71

184 MET CE 32 .05 16 .20 15 .06 51 .16

184 MET C 38 .19 18 .45 14 .42 38 .79

184 MET 0 38 .70 17 .95 15 .41 38 .76

185 SER N 38 .87 18 .70 13 .30 37 .18

185 SER CA 40 .28 18 .32 13 .16 37 .59

185 SER CB 40 .64 18 .03 11 .69 37 .50

185 SER OG 41 .03 19 .21 10 .99 37 .16

185 SER C 41 .28 19 .32 13 .72 37 .55 185 SER O 42..39 18..94 14..09 40..16

186 TRP N 40. .91 20. .59 13. .80 35. .64

186 TRP CA 41. .84 21. .58 14. .31 34. .56

186 TRP CB 42. .25 22. .55 13. .19 36. .72

186 TRP CG 41. .10 23. .12 12. .40 37. .32

186 TRP CD2 40. .21 24. .16 12. .81 37. .10

186 TRP CE2 39. .28 24. .36 11. .75 38. .69

186 TRP CE3 40. .09 24. .95 13. .97 37. .70

186 TRP CDI 40. .70 22. .74 11. .15 37. .78

186 TRP NEl 39. .61 23. .48 10. .75 38. .38

186 TRP CZ2 38. .25 25. .31 11. .82 37. .90

186 TRP CZ3 39. .07 25. .90 14, .04 39, .07

186 TRP CH2 38. .16 26, .07 12. .96 38, .39

186 TRP C 41. .40 22, .36 15. .54 33, .42

186 TRP O 42. .23 22, .95 16, .21 34, .53

187 ILE N 40. .11 22, .37 15, .85 31, .34

187 ILE CA 39. .66 23 .13 17, .00 30, .04

187 ILE CB 38. .11 23 .01 17. .18 28, .68

187 ILE CG2 37. .71 21 .59 17. .58 28, .09

187 ILE CGI 37 .63 24 .05 18, .20 27, .26

187 ILE CDI 36 .14 24 .25 18, .21 29, .81

187 ILE C 40 .43 22 .64 18, .23 29, .53

187 ILE O 40 .42 21 .45 18, .55 29, .29

188 LYS N 41 .12 23 .56 18, .90 30, .60

188 LYS CA 41 .92 23 .21 20, .08 30, .69

188 LYS CB 43 .37 22 .91 19, .68 30, .85

188 LYS CG 43 .59 21 .61 18, .92 33, .39

188 LYS CD 43 .24 20 .40 19, .77 35, .09

188 LYS CE 43 .68 19 .11 19, .08 35, .90

188 LYS NZ 43 .29 19 .10 17, .64 36, .17

188 LYS C 41 .95 24 .32 21. .12 30, .29

188 LYS O 41 .83 25 .50 20. .78 28, .37

189 PRO N 42 .09 23 .96 22. .41 29, .58

189 PRO CD 42 .23 22 .62 23. .00 28. .62

189 PRO CA 42 .14 25 .01 23. .44 30. .48

189 PRO CB 42 .37 24 .23 24. .74 30 .06

189 PRO CG 41 .83 22 .85 24. .44 30. .56

189 PRO C 43 .34 25 .88 23 .09 30 .51

189 PRO O 44 .35 25 .37 22 .57 31. .45

190 GLY N 43 .26 27 .18 23 .36 31. .00

190 GLY CA 44 .36 28 .07 23 .05 30. .63

190 GLY C 43 .95 29 .02 21 .94 31 .71

H Ω Ω Ω Ω Ω Ω Ω Ω Ω H H H H H s s S rs rs ES ES S ES ts H H hi >-3 >-3 >-3 >-3 ES ES ES ES ES ES ES ES Ω

P P P P P P P P P P P P P P P P P P rs t rs ts rs rs EC EC EC EC EC EC EC rs rs LS LS LS ES LS LS P

ES G G G G G G G G G rs ts ES ts ES LS ES ES ι-3 "-M H H H H H 33 33 33 33 33 33 33 H) ι-3 ι-3 ι-3 ι-3 ι-3 H3 hi Ki

2 Ω Ω O Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω cn Ω Ω Ω 2 O Ω Ω Ω Ω Ω 2 Ω Ω Ω W Ω Ω Ω 2 0

IS rs ti 63 03 > ti 63 63 no rs ti 63 03 63 63 03 l ES D Ω no > t eo

oo oo vo to vo on on on on vo o o o o to OJ on o on eo vo vo oo to ro ^l ! oo on cn on o vo cn o eo eo on to on on o on vo vo vo o oo o on on oo oo oo oo to o co oo o eo to to oo cn cn to vo o co o o cn vo o o o eo ui oo o o eo o eo on o vo on ui o ui oo on oo eo ro o o vo cn to on ui -o ro eo vo oo to on on o on to h-> H H to to t eo eo on OJ cn on on on on on cn H o o vo o vo o vo o ui co oo on o on vo cn o o oi oo cn on o vo vo on eo o vo co o vo h-> on o o o vo vo o o on o to o oo oo oo eo to eo to to eo to to oo oo OJ oo oo ro o oo o o oi oo vo vo n o cn o oo oo

t ro eo eo eo p> o o o o o o o o o o o vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo o o o o o o o o vo vo vo vo vo -o on on cn cn

Ω Ω Ω P P P P P P P P P P P P P P P P P Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω

P P P IS rs rs rs rs IS rs ts Ki Ki i Ki P P P P P P P P P Ki Ki Ki Ki P P P P P P P

G G G G G G G G G G G CΛ cn cn ω cn cn G G G G G G G G G cn ω ω CΛ ω cn ES ES ES LS ES ES IS

Ω Ω 3 O Ω Ω Ω Ω Ω Ω 2 Ω Ω 2 Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω Ω 2 O Ω cn Ω Ω α 2 Ω Ω Ω Ω Ω Ω Ω

03 o o 63 no > LS LS D G3 no > ts ES 63 03 eo v > 63 03 > α 63 63 |v t no >

oo oo oo oo oo OJ oo oo oo OJ to to to on o vo oo -o. vo on cn cn cn oo vo o cn to oo oo ui vo eo oo to to to o o vo en oo eo oo on o t oo on o cn eo oo o on vo on vo oo o oo on vo on o o oo oo t to to to t to to to to eo eo to eo OJ oo oo OJ OJ oo eo to eo o vo co cn cn ι o oo vo o on to o vo vo to on co en en ro oo ι oo cn to on vo on to o co on on on o o o on o oo o to o vo to on on p> P> co co to o o oo vo vo o o o o oo o eo to to on oo oo cn on cn o o o on eo co to o vo o ! o o vo n on vo n vo on on o o o vo o o co to to to to ro eo oo oo oo OJ to OJ t vo vo to o vo o o cn o on oo vo to o o ui vo o oo o vo to to o cn vo vo oo vo vo o _^) oo * o on on o to eo cn cn on o o o to o cn to o to vo P> t OJ o eo to to o co co

CO CO CO eo to CO CO CO CO to to CO CO CO to eo eo co CO CO CO CO eo eo co to ro eo eo eo eo eo eo o CO CO CO CO CO to to co o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o cn cn on cn cn on on Ul Ul Ul Ul Ul on on on ui lb lb lb lb lb lb oo OO 00 00 OJ J CO ro to eo CO eo CO co P¹ P¹ P ρ> P> ρ>

P P P P P D l > > > > > tn tn cn CΛ cn rn Ω Ω Ω Ω Ω Ω > > > > > > > > Ω Ω Ω Ω Ω Ω i j Ki κ| 33 33 33 33 33 33 33 33 33 33 33 IS rs ts rs IS Ki Ki i in cn cn cn i

63 63 63 63 33 rs κ| Ki n CΛ cn cn P P P P P P cn cn cn cn cn 63 63 63 63 63 63 63 33 33 33 33 33 cn cn cn cn cn CΛ TJ TJ TJ TJ TJ TJ TJ TJ G G G G G G

Ω Ω Ω Ω 3 O Ω 2 2 Ω 2 Ω Ω Ω Ω 3 Ω O Ω Ω 2 Ω Ω cn Ω Ω 2 Ω Ω o o Ω Ω Ω 3 o Ω Ω Ω Ω Ω J 63 03 > EC EC ts ts CJ 63 03 > 63 03 > 63 no 63 to P¹ > α 03 > LS LS

CO α P> to P> α 63

0J OO OJ OJ oo oo oo OJ OJ OJ OO Ul oo 00 OJ 0J OJ 00 CO Ul 0J OJ OJ Ul OJ 00 oo Ul 0J OJ UJ l Ul oo Ul Ul oo oo 0J Ul Ul 0J cn Ol on lb 00 P" CO P> OJ P> jv eo ρ> CO P> co P» P¹ vo P> eo Ul lb lb Ul cn on on on Ul vo 00 00 ^1 en on Ul lb J^V CO jv P¹ oo oo cn CO Ol ^J lb to P> VD on CO 00 on 00 P> o on ] P> o lb | Ul VD ρ> ^1 vo 00 vo eo P> Ul on o 00 Ul o o eo 1 vo lb OJ cn ! eo oi P> 0J OJ Ol P¹ CO vo ρ> -j oo o ι 00 lb o P> O cn oo VD on o to o to cn CO VD cn lb 0J -J 00 ui 0J eo CO CO CO CO to CO 0J 00 OJ oo l 00 00 OJ CO to CO CO CO eo CO to to eo eo CO CO CO CO UJ oo Ul OJ Ul OJ Ui UJ J Ul 0J 0J vo 00 -o 00 oo vo VD ui lb lb lb l w P> o vo ! 00 -J ] o -J cn Ol lb on -J co VD VD o to ρ> o o o o UJ lb 00 P>

VD on ^3 co lb lb Ol lb vo on co 00 on P" 00 Ul o Ul 1 eo OJ lb vo OJ vo o oo ui lb to o P> o ^j cn ui Ul o o o -J o CO o vo vo oo on 0J o o on Ul on P¹ lb o -J Ol vo P> oo ro VD Ul P¹ lb -J cn P> vo i lb o OJ oo 00 00 vo IV 00 lb on

1 P¹ P P^» o o o o ρ> o P¹ Ol on on lb l 00 eo eo 00 to oo on Ul lb on Ul lb on on lb on 00 lb lb 00 lb on on on ui Ol H o o vo on o lb o P¹ o o o VD on oo l on lb CO lb on on ] vo ^1 P» CO o o ] lb lb -J P¹ Ol lb ~j on ^J ^J ^3 ui o on ~J eo o 00 ui on CO 00 1 co lb JV Ul to lb oo 01 vo o P> OJ cn o Ul Ol P> jv Ul ρ> ] o vo on lb lb o oi 1 VD ^1 00 OJ 00 lb lb oo OJ OJ 00 00 00 oo 0J 00 Ul 00 OJ oo 00 oo 00 00 0J 00 oo Ul Ul OJ oo 00 00 OJ 00 lb lb Ul OJ OJ O CO CO Ul Ul CO CO lb o vo J 01 on Ol on 1 ! Ol Ul 00 0J on 00 on lb cn lb oo lb Ul Ul oo lb 00 P^> o P> o P> CO lb to |v vo VD o o vo vo

VD -J o cn 00 00 oo Ol 1 o Ul Ol 00 on o vo -J vo on Ol 00 P¹ Ol ui o 00 Ul o vo o Ul CO CO ui eo o o 00 P¹ CO lb o o 00 vo o on 01 ^3 VD H l oo O vo on P> on P> P> o 00 CO 01 P¹ oo o ] lb CO CO ^1 cn cn lb CO CO 00 o lb _^! lb eo

to to CO CO to to eo eo to to to to to to CO t to to to ro to CO to t to to CO to CO CO CO to CO CO to to CO CO CO CO CO eo

|v H> jv v v P> P> P> iv v P> P> |v o O O o o o o o o o o O O o o o o o o O o o o o o o o o o

P» P> p> o o o o o O O O o VD VO VD vo vo vo VD VD vo 00 03 00 oo oo 00 00 CO ^3 ^1 ^1 ^1 ^1 ^1 ~J ^1 on Ol 01 01

> > > > Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P H H H H H PH H H P P P P P P P P P P P P cn cn cn CΛ P P P P P P P P P Ki Ki Ki Ki Ki << K; P P P P P P P P LS LS LS LS ts IS LS LS «! Ki Ki

3 3 3 3 G G G G G G G G G CΛ CΛ CΛ cn CΛ CΛ in CΛ CΛ ts ES ES IS ts IS ts LS G G G G G G G G cn cn cn ω

2 o Ω 2 Ω ts ts

to eo eo CO CO CO to 0J CO eo eo CO CO CO CO oo 00 oo 00 00 Ul oo CO eo CO CO CO eo to OJ 00 OJ OJ OJ oo oo 00 00 00 l OJ oo ui on on vo 00 00 o vo 00 VD 00 vo 00 vo eo o o o o o o ^1 00 cn on co CO 00 o O o lb 0J 00 CO eo OJ ui VD 00

VD oo P> oo 00 on 0J CO on CO on lb 00 eo P> lb o eo o CO 00 o cn ui p> 00 CO OJ vo oo 00 lb oo p" lb J P> |v vo to OJ ρ> 00 cn vo o 00 00 CO Ol cn oo on ^1 on CO on vo lb VD vo o o P> vo oo on P^> lb lb lb o VD ^1 CO ui

00 OJ 00 oo oo 00 OJ OJ 0J OJ oo oo 00 eo t CO CO CO eo CO CO eo ro eo CO to eo eo eo CO eo CO CO CO CO to CO CO CO eo CO 00 lb 00 00 00 CO CO lb lb lb oo eo o vo vo vo 00 ^1 CO oo ^1 1 on cn oo ^1 cn cn lb Ul 0J co 00 00 lb cn on oi vo o o vo o vo Ol vo on lb on on VD ^1 o on ^1 on CO on 01 lb eo on VD on P¹ 00 P> P> CO i lb 00 00 o 00 vo cn on Ol on lb CO ui o OJ oo CO v lb ui o CO oo H 00 vo lb oo on o ^1 lb o vo ^ cn lb vo VD oo vo vo P>

1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 on on OJ CO oo eo eo o P» o o h> IM oo eo oo CO 01 on lb eo P> to P> o o o o o o P> o o CO P o o P> o o o

CO P» 00 00 lb Ol vo iv o 00 lb 00 on 00 o o CO on Ui vo 00 o lb ^1 ^1 vo vo P eo P OJ on Ul P> o lb cn lb CO 00 on 00 P» o ^1 ^1 lb P> CO lb vo o on o cn o lb O 00 00 CO eo on P> CO on P> P CO cn CO |v VD on cn Ol ui vo lb lb lb lb lb lb ui ui on on lb lb lb lb lb lb lb lb lb lb lb lb oo Ul OJ oo 00 oo 00 00 oo OJ OJ oo oo OJ 00 00 uι lb lb

^J 00 CO to o eo lb lb 00 o on lb lb Ul lb 00 vo Ol lb OJ P^> vo VD lb on lb on ^J on ^1 cn ^1 Ol ^1 oo ^1

Ul vo vo on 00 00 P> CO to CO o P 00 CO CO lb o ^1 Ul ^3 01 to ^1 OJ vo cn o oo lb OJ 00 P> 00 CO on 0J lb o on on o eo 00 o on ^1 vo vo to oo on on O vo ^1 00 01 lb lb o P> VD eo lb lb on CO vo vo lb 00 P> cn P> 00 o i OJ CO pⁱ

211 ASN ODl 26..68 34..87 -6..81 47..86

211 ASN ND2 24. 64 33. .91 -6. .65 47. ,46

211 ASN C 25. 48 34. .71 -3. .42 41. .52

211 ASN 0 24. 35 34. .27 -3. .62 41. ,89

212 GLY N 25. .71 35. .85 -2. .78 40. ,81

212 GLY CA 24. .61 36. ,66 -2. .29 39. .59

212 GLY C 23. .61 35. ,86 -1. .50 39. .66

212 GLY 0 23. ,97 35. .06 -0. .63 38. .77

213 LEU N 22. ,33 36. .09 -1. .79 38. .72

213 LEU CA 21. ,24 35. .41 -1. .10- 38. .34

213 LEU CB 20. ,00 36. .31 -1. .08 37. .52

213 LEU CG 20. .14 37. .59 -0. .27 36. .48

213 LEU CDI 18. ,79 38. .29 -0. .17 37. .17

213 LEU CD2 20. ,66 37. .25 1. .12 36. .89

213 LEU C 20. .89 34. .06 -1. .72 39. .44

213 LEU 0 20. .00 33. .37 -1. .24 38. .87

214 ASN N 21. .60 33. .71 -2, .79 40. .03

214 ASN CA 21. .37 32. .44 -3. .49 40. .60

214 ASN CB 21. .87 32. .54 -4. .92 42. .06

214 ASN CG 21. .13 33. .59 -5. .72 43. .11

214 ASN ODl 21. .62 34. .05 -6. .75 45. .90

214 ASN ND2 19, .95 33. .97 -5. .26 44. .62

214 ASN C 22, .05 31. .25 - 2 .82 39, .85

214 ASN 0 21, .61 30. .11 -2 .96 40, .37

215 ALA N 23, .14 31. .53 -2 .10 38. .59

215 ALA CA 23, .89 30. .49 -1 .41 36. .81

215 ALA CB 24, .65 29. .63 -2 .41 37. .09

215 ALA C 24, .87 31. .14 -0 .43 35. .98

215 ALA 0 25 .48 32 .16 -0 .74 35 .38

216 GLY N 25 .02 30 .54 0 .74 34 .87

216 GLY CA 25 .93 31 .11 1 .72 35 .16

216 GLY C 25 .71 30 .61 3 .13 34 .80

216 GLY 0 25 .25 29 .48 3 .33 34 .58

217 LEU N 26 .03 31 .45 4 .10 33 .27

217 LEU CA 25 .88 31 .09 5 .51 34 .86

217 LEU CB 26 .99 31 .76 6 .32 34 .93

217 LEU CG 28 .39 31 .69 5 .69 35 .66

217 LEU CDI 29 .42 32 .21 6 .69 36 .28

217 LEU CD2 28 .72 30 .26 5 .30 35 .87

217 LEU C 24 .51 31 .51 6 .03 34 .26

217 LEU 0 24 .17 32 .69 6 .04 33 .37

218 ALA N 23 .74 30 .53 6 .49 34 .49 ro CO eo ro to to co co to CO CO CO to eo CO CO CO CO to co to co to to to to io co to to to CO CO CO CO CO eo eo CO to CO CO

CO ro ro CO CO CO eo CO CO CO CO o ro ro CO eo CO to CO to co co to co to co eo p¹ tv |v P¹ P> lb lb lb Ul Ul Ul Ul UJ Ul CO CO CO CO P> P> P> P> P> O O O O O O O VO ^D -^> ^D D O vo vo VD 00 00 00 00 cn ω CΛ Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ι-3 ι-3 ¹-3 >-3 >-3 ι-3 t-3 T3 TJ TJ TJ TJ TJ TJ TJ TJ 13 TJ ^d d * 3 *TJ ^ 0 *O > > > LS ts ts Ki xi Ki K; Ki ; P P P P EC EC EC EC EC EC EC 33 33 33 33 33 3 3 EC EC EC EC P P P P

33 33 33 cn ω n cn CΛ cn Ki K; Ki Ki 33 33 33 33 33 33 33 0 0 0 0 0 0 0 LS LS ES LS t M M t M M M > >

Ω Ω 3 O Ω cn Ω Ω 3 O Ω Ω 3 O Ω Ω O Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω 03 > Ω 03 > > Ω Ω 03 O UJ > d LS t ts O O 63 03 03 to P» > to >

P¹ to

to CO ro OJ 00 00 Ul OJ CO CO CO CO to to to 00 00 00 eo co CO CO CO CO CO eo CO eo eo CO CO CO CO to CO CO eo eo CO eo CO eo J 00 00 P> 0 to P> 0 vo vo 00 ^1 ι vo 00 0 0 0 00 00 on Ol Ul 01 Ol lb on on lb co P" 00 OJ CO CO 00 oo CO P¹ eo

0 on vo P> eo 0 ^1 OJ CO | _^) 01 01 J 01 00 00 eo ι P> 0 CO P> CO lb 0 01 ] OJ on ρ> on |v 00 00 00 00 lb 00 01 UJ

VD CO on VO P> 01 lb ^1 lb lb 0 vo 01 0 cn P^> 0 00 0 00 ^1 ! O 00 Ol eo VO vo vo 00 vo ^1 00 on VD lb ~J ^ vo vo

CO eo CO CO eo Ul CO CO CO CO eo CO to Ul 00 CO 00 OJ Ul 00 Ul Ul 00 00 OJ 0O OJ 00 00 CO CO CO to to 00 00 00 00 00 Ul CO Ul

00 vo CO vo 00 0 vo 00 VD 00 vo vo vo P> 0 vo 0 0 0 P> P» P" ui lb OJ lb 00 P¹ eo ^3 00 00 vo VD 0 |v ro eo vo 0 O eo vo P> vo VD P* 1 lb 0 0 CO 00 OJ ui P> CO OJ Ul ^J P» VD eo 00 eo to P> lb CO on 0 J lb ^1 00 0 t lb lb cn lb -J on 00 vo ^1 00 Ul lb 0 lb CO eo on lb OJ vo 0 CO cn P¹ 0 00 lb on vo lb P¹ CO CO 00 lb 00 00 on on 0 vo vo vo 00 cn on 00 eo CO CO CO eo P> P¹ P¹ P> P> P> P> P> P> H P¹ P> P> P¹ P> P" P¹ p> P> |v P» P¹

00 UJ P> P> VO VD vo vo ^J ] 0 on on Ul lb CO 00 00 UJ 00 l CO 00 CO CO P> 0 0 CO eo 0 to P¹ 0 vo CO 00 1 ] to P> ^1 vo ro to P> ] 0 OJ vo OJ VD vo 00 0 0 lb 00 eo 01 CO lb on lb CO on vo O 0 ι ^3 on on Ul 00 lb CO CO 0

VO 0 O lb lb P> ] lb VD ^J Ul CO 00 ^3 lb vo P> lb 0 VD CO ^1 vo 0 Ol CO CO CO O 0 vo CO on ^1 Ul 00 CO 0 lb co 0

CO eo CO CO CO Ul CO CO eo CO CO eo to OJ CO CO to to CO eo CO CO eo to eo CO CO CO to OJ 00 00 00 0J 00 CO to OJ 00 00 00 Ul ] on lb on 01 0 lb on Ul OJ lb on 01 0 -J ] en ^J cn -j CO ^ Ul on 01 01 VD 00 00 0 P" CO P» 0 0 VD vo 0 eo CO lb CO

OJ ^1 VO on CO 0 OJ lb vo 01 vo 1 00 to 00 lb vo vo vo CO ui 01 Ul lb 00 0 00 0 on vo 0 lb CO ^1 CO 1 lb vo on 00 00 on vo lb CO 00 01 ^J lb VD P¹ 0 O Ol 00 00 en 00 lb 0 Ul 0 00 vo OJ lb ^1 00 P> lb eo 00 00 vo 0 00 vo 0 01 on Ul

CO CO to CO to to CO CO CO CO to co to to to ro to ro CO eo to to to co CO CO CO eo CO eo CO CO eo co co co to CO eo CO eo to

Ul Ul Ul Ul CO to to CO to CO to co to CO to t to to CO eo to CO t CO CO to eo to CO eo to CO eo CO CO CO to eo eo eo to to o o o o vo vo VD vo vo co oo oo 00 00 00 -J -J ι ~] o ^3 ^3 -j Ol Ol 01 Ol 01 Ol 01 Ol Ul ui ui ui ui Ul Ul ui lb lb lb

> > > > > Ω Ω > > > > > > > P P P P P P P P > > Ω Ω Ω P cn n cn P P P P P > P P P cn > > > cn > > w cn cn > in cn > > in cn cn in > in cn ts LS LS LS tS ES ES IS ES ES ES > > > > > > > > > cn cn cn 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 G G G G a G G G 33 33 33

Ω Ω 2 2 O Ω CΛ Ω Ω 2 O Ω 2 O Ω Ω Ω 2 O Ω 2 O Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 2 O Ω O 03 > o Ω Ω Ω 03 > Ω 03 > σ O Ω 03 > CJ D Ω 03 > O O Ω 03 Ω

P¹

to eo eo eo CO CO CO eo CO to CO ro CO to CO co eo CO CO to CO eo CO eo CO oo 00 OJ oo to Ul to OJ OJ OJ 00 oo oo CO CO CO to

OJ co OJ J lb OJ CO 00 lb cn Ul on -J on Ol lb O cn CO ~o cn 01 00 ^j 00 00 CO to o VD o VD o 00 lb CO CO o vo vo o Ol lb o 0J on O co oi vo lb on -J o P¹ oo 00 o on on oo oo co eo cn lb -o. OJ oo VD Ul lb o 00 o 00 o on 00 on oo oo

H -J 00 on v lb o Ol •J on 00 Ol 00 CO ρ> cn VO lb cn 00 o 01 00 o vo P> cn lb ] lb lb on vo 1 oo VD o ^1 on P^{1 ■}o ρ>

Ul to CO eo CO CO CO CO CO CO ro 00 00 to to CO CO OJ oo CO CO CO ro CO CO CO eo to t CO to eo eo eo OJ to to eo t CO eo CO

O 00 vo oo en ! σi -~j co ^j 00 P^» o VD oo oo oo o o vo 00 -J ! on 01 J on cn cn on Ol 00 o ι o vo CO 00 00 -0 00 vo

^1 ^1 OJ vo o on co OJ lb on lb 00 ui ui VD CO 0J vo P> VD on cn lb 00 on CO 01 -j vo CO ^1 ^1 vo vo o CO vo CO vo P> oo 01

VO lb o to co ] vo lb P> on 00 OJ ui lb Ul P> on o lb on ι OJ lb O lb oi -j on 00 P> vo oo Ul oo lb eo o 00 OJ lb P"

CO CO CO t eo CO eo CO eo t ro CO to eo CO eo to OJ J oo 00 00 oo CO eo CO eo to oo eo to to eo eo CO eo CO CO eo eo CO CO

CO iv CO OJ oo lb on on 01 on Ol on ^1 ^3 00 vo VD eo P» CO CO o o VD VD vo vo vo o VD _^! 00 ^1 lb on on 01 01 on oo lb CO o 00 00 ι eo o o on OJ on 00 cn o -J oo ^3 00 ρ» 1 o CO vo on O oi vo on vo CO eo VD o lb lb on o eo o p> 00 o oo on P¹ P^> o o 00 on eo ι o ρ> CO o lb ] on o -j co P> CO on on 00 OJ oo Ul o ~j cn Ul 00 Ol on o cn ι oo lb co lb P> to CO ro CO to eo eo CO to CO CO lb 0J 0J 0J O J OJ OJ 00 00 oo OJ CO eo 00 eo OJ CO ro CO to t CO to CO co CO to CO to CO ! oo on 1 VD on vo CO 00 vo VD -j lb CO CO ro -O 01 Ul 00 P¹ o VD vo o vo o 00 VD ] oo 1 oo ι on 00 -o Ol lb on oo lb VD lb CO o 00 CO o Ul 00 lb P¹ P> o eo lb P» to o on CO on O 00 00 on on 00 P¹ CO oo Ol 00 on on ro lb on oo 00

-0 o oo CO P> on ^J on o 00 lb lb on 0J ^3 vo 00 co 00 on o -J P¹ to 00 00 cn vo P> lb lb vo vo vo •J Ul oo ^1 ^3 01 H

eo to to eo to to eo to to to to to t co co co to to to to co to to to to t to to oo oo oo o oo oo on on on on on oo oo oo to co to to to to to o

> > > > > TJ TJ TJ T3 TJ T3 TJ ^|-3 >-3 ι-3 ι-3 >-3 β ι-3 ι-3 ι-3 1-3 ^P3 ι-3 >-3 ¹-3 ι-3 ι-3 EC EC EC EC EC EC EC EC EC EC > cn in cn in cn 33 33 33 33 33 33 33 EC EC EC EC EC EC EC Ki ; Ki Ki Ki Ki Ki Ki Ki H H H H H P

2 2 2 2 2 O O O O O O O 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 cn cn cn cn cn cn cn >

to o eo to oo oo to eo eo to to co eo eo eo to vo vo to o o oo o vo vo o o vo ι on vo vo vo oo OJ oo to oo to vo on Ol on on o on oo o oo on o ui oo o oo eo cn cn on vo cn o o on on vo o on oo eo oo

OJ OJ oo oo oo oo oo oo oo oo oo oo oo oo oo o o vo on cn on on on oo to on to ρ> oo on eo o on cn ι o on vo on on ^i on ui on oo on o o vo on o cn on cn eo on on oo on o l o on cn o eo to co to eo co to eo eo eo vo vo ^) oo oo vo co vo oo cn cn l vo o eo eo eo to o o vo o co o o o eo o o o o eo to vo to vo en oo on on vo vo on o ! co vo cn o o on o eo vo cn to vo cn cn o o cn t o vo on ui oo eo eo to eo to eo to to eo to eo to to to oo oo eo eo o oo vo vo oo oo on oi ι on cn cn cn on H o

OJ on on to o o to o o oo oo o vo o OJ oo vo P> vo oo on o en vo on o o H cn t on oo oo vo o ^) on cn on o vo on vo P» cn o vo vo o on

235 ASN ND2 29.,19 41..71 20..12 31.17

235 ASN C 33. ,56 40. .90 18. .16 29. .96

235 ASN 0 34. ,44 40. .35 18. ,84 29. .14

236 ALA N 33. ,83 41. .91 17. .33 30. .60

236 ALA CA 35. ,19 42. .42 17. .19 31. .77

236 ALA CB 35. ,19 43. .66 16. .29 31. .97

236 ALA C 35. .80 42. ,76 18. .55 32. .29

236 ALA 0 35. .11 43. ,27 19. .45 32. .28

237 GLY N 37. .09 42. .50 18. .71 32. .24

237 GLY CA 37. .75 42. .79 19. .98 32. .86

237 GLY C 37. .53 41. .78 21. .09 32. .25

237 GLY 0 38. .01 41. .97 22. .20 31. .99

238 ASP N 36. .80 40. .70 20. .81 32. .02

238 ASP CA 36. .55 39. .68 21. .83 32. .07

238 ASP CB 35. .41 38. .75 21. .40 32. .44

238 ASP CG 34, .94 37. .85 22, .53 32. .51

238 ASP ODl 35, .79 37. .37 23, .31 33. .01

238 ASP OD2 33, .71 37. .60 22, .63 31. .85

238 ASP C 37, .84 38. .87 22, .02 31. .30

238 ASP 0 38, .30 38, .20 21, .10 32. .32

239 THR N 38, .42 38, .93 23, .21 31, .61

239 THR CA 39 .67 38, .23 23, .50 30, .45

239 THR CB 40, .55 39, .07 24. .45 31, .43

239 THR OGl 39 .80 39, .39 25 .63 30, .87

239 THR CG2 40 .95 40 .37 23 .78 30, .87

239 THR C 39 .51 36 .82 24 .08 29, .77

239 THR 0 40 .49 36 .20 24 .50 28. .47

240 THR N 38 .28 36 .30 24 .10 28. .10

240 THR CA 38 .03 34 .98 24 .66 29. .75

240 THR CB 36 .53 34 .63 24 .59 28 .28

240 THR OGl 35 .79 35 .66 25 .24 26 .32

240 THR CG2 36 .26 33 .30 25 .28 25 .92

240 THR C 38 .82 33 .90 23 .95 30 .80

240 THR 0 38 .90 33 .86 22 .71 32 .46

241 VAL N 39 .41 33 .02 24 .75 31 .21

241 VAL CA 40 .21 31 .91 24 .27 31 .38

241 VAL CB 41 .68 32 .06 24 .75 31 .42

241 VAL CGI 42 .43 30 .75 24 .59 30 .38

241 VAL CG2 42 .37 33 .15 23 .94 31 .13

241 VAL C 39 .62 30 .60 24 .80 31 .35

241 VAL 0 39 .23 30 .52 25 .97 30 .37

242 LEU N 39 .57 29 .59 23 .94 31 .13 to CO to ro ro to to ro t CO CO to CO CO eo CO to CO to to to to to CO to CO to to to to CO CO CO CO to to to CO CO eo CO CO lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb lb lb lb

Ol Ol Ol Ol 01 O ui ui ui on Ul Ul ui ui lb lb lb lb lb lb lb lb lb lb lb lb OJ OJ OJ OJ OJ uι uι ui ui co eo CO CO CO to CO

> > > > > D > > > ι-3 H H H ι-3 H H H H H ι-3 >-3 Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P tn in cn cn in cn cn cn tn tn tn tn cn cn Ki Ki Ki Ki Ki Ki Ki Ki P P P P P P P P P ES LS ts ts ts ts ts

TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ 33 33 33 33 33 33 33 33 33 33 33 33 2 2 2 2 2 2 2 2 3 G G G G G G G

Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 2 O Ω 2 O Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω ti ti Ω 00 ti i 63 03 > EC ts ts ti ts O 63 03 > LS ts Ω 03 > CJ O Ω 03 >

CO v to to to P> P> CO P» α CO

Ul UJ 00 00 OJ Ul 00 00 00 OJ OJ OJ OJ 00 00 lb lb lb lb lb lb lb lb lb lb oo oo lb lb lb oo lb lb J 00 OJ 0J Ol cn Ol on on on on cn VD VD 00 vo vo |v P¹ P> CO t eo ro o o 00 P> co P> vo vo o vo P" vo oo Ol oo co vo

UJ P> lb 01 lb on on CO VO 00 00 O vo on CO VD lb on lb on o o CO 00 VD vo on CO Ol o Ul P¹ vo to oo eo oo o Ol en Ol o oo 01 on cn P* Ol 1 eo on lb VD lb ^1 cn o oo CO lb CO P> o H o lb 00 o cn CO ui 0J 00 o Ul vo 0J

CO CO CO eo eo CO to CO CO CO CO eo co P> H CO to CO CO CO eo CO ro to eo eo eo CO CO CO CO cn Ol Ul lb oo CO to o to to co O ^1 00 o co vo o to CO lb lb lb VD oo CO 00 Ol 1 1 on Ol cn 00

00 00 oo lb J 1 CO o oo 00 Ol lb oo CO on vo P> on 1 to CO CO lb VD 00 lb VD on o lb |v Ul Ol 00 o lb CO CO P> o oo ^J on OJ CO on Ul on on 1 cn lb P¹ P> lb Ul o Ul Ul Ol 00 VD on OJ CO Ul Ul CO oo o

CO CO CO CO to CO OJ to OJ 0J OJ OJ to CO eo CO OJ 00 to eo CO to eo CO CO S3 to to CO CO CO CO CO CO CO to CO

^J VD ^1 1 00 00 O vo oo CO CO H O vo 00 VO o O oo 00 00 00 01 ^1 ^ VO 00 00 00 1 01 Ul on 00 OJ lb

P> o CO p> o cn OJ on P> on 00 OJ 1 o cn eo P> eo o vo vo 00 o vo vo lb VD Ul 00 vo 00 lb lb P" CO 01 P¹ o oo lb oo 00 to vo CO to ^3 |v O Ul J o O on Ol |v CO lb 00 on oo vo 0J lb o 00 OJ cn 00 00 vo vo Ul o

Ul oo 00 CO 00 00 00 00 lb lb 0J OJ 00 00 OJ oo lb lb lb OJ lb 0J 00 00 00 00 00 00 CO to OJ OJ OJ Ul Ul oo OJ OJ CO 00 o o o vo o o lb eo o O cn 00 OJ lb lb cn CO P> VD P* vo 1 cn Ul on on lb Ol VD P> o CO OJ CO CO to o o vo P¹

00 lb lb VD OJ CO P> on on O J 00 o OJ H CO O on VO ro 0J l CO lb o o CO Ol o o on 00 Ul 1 oo vo o vo CO ^ OJ 00 P¹ ^3 CO P¹ to to cn OJ O on o 00 lb o cn OJ ^1 lb vo Ol OJ 00 oo on oo lb vo lb on ui Ul vo OJ o o lb vo

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CO CO CO OJ oo OJ CO CO CO CO eo to to to to CO CO CO eo to eo CO to eo CO CO CO to CO CO CO CO OJ CO CO to CO CO CO eo CO CO lb CO lb lb OJ OJ vo Ol -J. on on Ol on -J lb Ul OO on lb 00 -j on J 00 lb Ol CO 1 vo 00 ^J vo o vo on on ^J oo oo oo ^j oo cn CO on oo o J^V Ul ^J o vo 00 v o o lb 00 ^1 01 lb 0J 00 CO eo ^1 CO lb lb lb P> Ol o VD on 00 CO 01 CO oo 01 lb cn vo ] ] o P> lb o o P cn v on lb lb to lb oo P> co n vo OJ ^1 vo ^1 OJ o Ul CO CO lb Ol o Ol P» ] oo vo on 1 oo

252 PHE CA 26..48 26..81 12.,21 25.,92

252 PHE CB 27. .91 26. .89 11. ,64 26. ,21

252 PHE CG 28. .40 25. .62 11. ,02 25. ,55

252 PHE CDI 28. .77 24. .54 11. .81 27. .22

252 PHE CD2 28. .51 25. .51 9. .63 27. .15

252 PHE CEl 29. .24 23. .36 11. .24 27. .72

252 PHE CE2 28. .98 24. .34 9. .05 25. .62

252 PHE CZ 29. .35 23. .27 9. .86 26. .38

252 PHE C 25. .52 26. .31 11. .13 27. .34

252 PHE 0 25. .12 25, .15 11. .12 27. .88

253 GLY N 25. .15 27. .21 10. .23 27. .99

253 GLY CA 24. .22 26. .83 9. .19 28. .73

253 GLY C 24. .61 27, .24 7. .79 29. .86

253 GLY 0 25. .23 28, .28 7. .58 29. .28

254 THR N 24. .23 26. .41 6. .83 30. .60

254 THR CA 24. .50 26. .68 5. .42 31. .56

254 THR CB 25. .43 25. .63 4. .81 32, .31

254 THR OGl 24. .88 24. .32 5, .04 35, .58

254 THR CG2 26. .80 25 .71 5. .42 33, .63

254 THR C 23. .17 26 .65 4, .67 31, .54

254 THR 0 22, .19 26 .11 5. .17 30, .78

255 HIS N 23, .12 27 .25 3. .49 32, .17

255 HIS CA 21, .88 27 .24 2, .74 33, .70

255 HIS CB 20. .95 28 .37 3. .23 36, .11

255 HIS CG 21. .25 29 .71 2. .63 37, .55

255 HIS CD2 22. .18 30 .64 2. .93 38, .23

255 HIS NDl 20. .54 30 .22 1. .56 38, .70

255 HIS CEl 21. .03 31 .39 1. .22 38, .52

255 HIS NE2 22 .03 31 .67 2. .04 37 .63

255 HIS C 22 .10 27 .37 1, .25 34 .52

255 HIS 0 23 .15 27 .85 0, .80 32 .84

256 ILE N 21 .13 26 .88 0 .49 34 .83

256 ILE CA 21 .14 26 .97 -0 .95 37 .08

256 ILE CB 21. .32 25 .61 -1 .63 37 .80

256 ILE CG2 21 .19 25 .77 -3 .14 39 .83

256 ILE CGI 22 .70 25 .02 -1 .28 38 .25

256 ILE CDI 23 .87 25 .80 -1 .84 36 .72

256 ILE C 19 .75 27 .50 -1 .26 38 .47

256 ILE 0 18 .74 26 .86 -0 .93 36 .75

257 SER N 19 .71 28 .69 -1 .84 38 .60

257 SER CA 18 .48 29 .37 -2 .18 39 .86

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co eo to eo co co co IO co to eo eo co ro to J co co to co eo eo co co co eo eo co co eo co co co co oo co 00 co oo oo oo 00 oo oo 00 00 oo oo co oo 00 oo co oo oo oo oo oo oo C0 00 ] ! ^J O O l O -0. ] ib ib ui o OJ OJ to co to CO \-r o o o o o o vo vo vo vo vo oo oo oo oo ι-3 ι-3 ι-3 ι-3 > > > > > > EC EC EC EC P P P P P CΛ in cn c >n i >n 33 33 33 33 > > > > > TJ TJ TJ TJ

O Ω Ω 2 O Ω Ω Ω 3 O Ω O O Ω Ω Ω 2 O Ω 3 Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω 3 O Ω Ω Ω 3 O Ω 3 Ω Ω 03 > 03 > D CJ Ω 03 t CS O Ω 03 03 to LS co > > Ω Ω eo M

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P P P P P 31 31 33 33 31 31 3J 31 31 31 33 < Ki Ki Ki Ki Ki Ki Ki Ki Ki P P P P P P P P P P P P P P

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> > ts tS CJ Ω no > D Ω Ω 03 > ti 63 63 03 M M to M M to > 63 03 > ti 63 to

CO lb lb 00 OJ oo lb cn on -J 1 cn 01 Ol 01 00 co co VD vo to o o o eo eo on lb lb lb to M o o ] co vo ^1 VO M O VO

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350 GLY 0 1..94 20..80 25,.78 74,.08

351 GLU N 2. .75 21, .61 23 .84 74, .19

351 GLU CA 1. .45 21, .61 23 .17 74, .62

351 GLU CB 1. .30 22. .89 22, .33 74, .97

351 GLU CG 1. .44 24. .16 23 .14 75, .93

351 GLU CD 1, .21 25, .40 22 .30 76, .89

351 GLU OEl 1. .89 25, .54 21 .26 77, .50

351 GLU 0E2 0, .36 26, .23 22 .69 77, .67

351 GLU C 1, .27 20, .39 22 .28 74, .43

351 GLU 0 2. .24 19, .84 21 .76 74, .04

352 ALA N 0. .01 19. .98 22, .09 74. .44

352 ALA CA -0. .30 18. .82 21, .27 74. .25

352 ALA CB -1. .55 18. .12 21, .82 74. .29

352 ALA C -0. .48 19. .16 19, .79 74. .04

352 ALA 0 -1. .18 18, .45 19, .07 74. .32

353 THR N 0. .14 20, .24 19, .35 73. .63

353 THR CA 0. .06 20, .64 17, .95 72, .76

353 THR CB 0. .69 22. .03 17, .71 72, .53

353 THR OGl 0. .02 23, .00 18 .53 72, .18

353 THR CG2 0, .56 22, .43 16 .24 71, .53

353 THR C 0, .85 19, .61 17 .16 72, .59

353 THR 0 2, .04 19, .41 17 .41 72, .67

354 ARG N 0. .20 18, .95 16 .21 72, .06

354 ARG CA 0. .87 17, .93 15 .41 71, .75

354 ARG CB -0, .17 16, .94 14 .87 71, .94

354 ARG CG -0, .82 16 .07 15 .94 72, .35

354 ARG CD -1. .92 15 .19 15 .37 72, .38

354 ARG NE -2. .45 14 .25 16 .36 72, .59

354 ARG CZ -3 .01 14 .61 17 .52 73 .09

354 ARG NHl -3 .11 15 .89 17 .85 73 .20

354 ARG NH2 -3 .46 13 .67 18 .35 72 .46

354 ARG C 1 .69 18 .50 14 .26 71 .04

354 ARG 0 1 .44 19 .60 13 .78 70 .85

355 MET N 2 .69 17 .73 13 .84 70 .48

355 MET CA 3 .56 18 .10 12 .73 69 .75

355 MET CB 4 .84 17 .26 12 .74 70 .14

355 MET CG 5 .76 17 .54 13 .92 70 .75

355 MET SD 7 .11 16 .34 14 .10 71 .04

355 MET CE 8 .20 16 .84 12 .79 71 .17

355 MET C 2 .79 17 .86 11 .45 69 .16

355 MET 0 1 .67 17 .34 11 .48 69 .82

356 GLU N 3. .37 18 .21 10 .31 68, .27 oo 00 oo oo oo oo oo 00 oo 00 OJ oo oo oo oo oo oo oo oo oo o oo oo oo oo o 00 00 OJ OJ OJ J Ul OJ J oo Ul o Ul OO 00 Ul

01 Ol 01 Ol 01 01 Ol Ol 01 en en cn on on on on on on on on on on on on on on on on ui ui on on on on on on on on Ul Ul Ul on

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Kj Kj Ki P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P

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M M M M M M M M M M 1 vo o M ro CO O M M 00 CO M vo vo vo lb lb lb on O ~0 O -J -J O on OJ lb to M eo oo CO 00 OJ lb OJ O o O O M CO

M o on oo M VD lb VO Ol CO CO CO to o oo 00 00 lb 00 Ul CO vo M OJ on 1 OJ lb cn lb lb 00 O 00 Ul M O CO VO Ol vo ^1 Ul Ol VD Ol 00 00 cn vo o cn on 01 00 co 1 01 CO eo eo VD VD Ul co lb cn o lb o O VD O Ol O Ol on 00

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01 Ol lb 0J lb 01 1 CO CO CO 00 vo o M 01 ui on lb OJ o OJ on ui ι vo o M on on Ul lb 0J 0J lb Ol 01 M to M o oo !

01 01 VD lb vo lb o lb Ul -J M vo -J CO lb Ul o on o lb 00 Ul ui on vo VD lb ^1 M M to lb o ui Ol to CO M CO Ul 01 lb

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TJ TJ 13 TJ TJ TJ H H H hi H H >-3 Ω Ω Ω Ω Ω Ω Ω Ω Ω H H H H H H H H

EC EC EC > > > H ι-3 H H H H >-3

EC EC EC EC EC EC EC EC EC EC P P P P P P P P P P P P P P P P P P P P P P Ki i Ki Ki Ki Ki

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to M M M CO M eo M M M M M M M M M M M M M M M t-r M M M M M M M M M M M M M

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00 J o CO o o VD VD ^J ^3 -J vo vo o VD lb lb 00 t M o VO 00 00 -o cn O ι 00 vo M o CO M M VO O o O M O vo

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CO CO to CO to t CO CO CO CO CO eo eo CO CO M M M M M M M M M M M M M M M M M M M M M M M M M M

Ul oo 00 ui on lb CO 00 M eo eo eo o o O 00 CO 00 00 CO 00 ^3 cn Ol lb lb en on on lb on lb 00 00 CO M M CO eo 00 OJ M

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M Ui 00 M M oo vo o o vo co vo o o o CO to 00 CO o M o o o o M 00 lb on on ^3 Ol Ol on on Ol ^J Ol on lb OJ 00 vo o cn M vo oo o on vo CO lb on CO VD M lb o oo CO O Ul J cn Ol 00 M CO cn lb 00 ^1 on M lb on Ol cn lb CO M ^1

M 00 M O lb o on lb o cn M VD to lb 00 lb on CO M cn 00 lb M 0J M CO on CO cn to CO o vo 00 on CO oo OJ oo 0J

M M M M M M M M M M M M M to CO M CO M ι vo CO vo VO vo o vo CO vo •J 00 00 lb 00 M VD vo VD CO CO oo vo CO -J ! on 01 00 on lb on on ^1 ] cn oo on o CO Ol ^3 ^1 o CO M CO lb ^J OJ lb cn 0J O o oo J 00 CO OJ cn VD Ul VD CO oo UJ oo o on 00 cn oi on lb

Ol Ol M eo cn on M on 00 oo on VD CO CO CO M eo lb o on VO CO Ul OJ VD vo cn l M 01 CO CO 00 lb M ui CO oo o 01

0O 00 OJ oo lb lb on lb lb lb lb 00 OJ 0J oo 0J OJ 00 OO 00 OJ OJ 00 oo OJ OJ 0J OJ 00 Ul Ul OJ Ul oo 00 00 00 J oo 0J o OJ lb lb Ol CO o o o vo 00 on M VD Ol 00 oo O ^ on Ol on 01 on on lb on o Ul 00 Ul 00 lb eo eo 0J lb 01 1 on on lb o UJ oo -0 01 eo o CO cn M M tb CO lb M oo 01 lb O CO CO 01 OJ lb M M CO o 00 vo 00 o on -0 -3 eo Ol OJ eo lb O eo on lb CO on o O on ^1 Ol o VD oo ^j CO lb M vo lb CO ^1 VD 0J ^J CO o oo ^1 lb M on eo VD CO 00 ui

477 ASP ODl 28.,88 13.,47 11..32 33.32

477 ASP OD2 30. .39 15. .05 11. ,50 31. .32

477 ASP C 29. 12 11. 58 13. 82 35. 81

477 ASP O 29. .28 11. .04 14. .91 36. 34

478 TYR N 27. .98 12. .15 13. ,46 34. 16

478 TYR CA 26. ,81 12. 14 14. ,35 34. 22

478 TYR CB 26. ,91 13. .23 15. .43 32. .68

478 TYR CG 26. .88 14. .67 14. .91 31. .30

478 TYR CDI 28. .02 15. ,27 14. .37 31. ,58

478 TYR CEl 27. .99 16. ,59 13. .89 30. .85

478 TYR CD2 25. .71 15. .43 14. .97 30. .94

478 TYR CE2 25. .67 16. .75 14. .50 30. .46

478 TYR CZ 26. .81 17. .32 13. .96 31. .39

478 TYR OH 26. .76 18. .61 13. .47 31. .50

478 TYR C 25, .56 12, .36 13, .51 34. .46

478 TYR O 25, .72 12, .74 12, .32 35, .66

478 TYR OT 24, .44 12, .17 14, .04 34, .52

602 HOH O 27 .14 37, .37 21, .70 25, .34

603 HOH O 24, .18 37, .25 20. .42 26. .09

604 HOH O 31, .59 39, .39 21, .86 35. .24

605 HOH O 13. .64 38, .29 13, .92 39, .94

606 HOH O 22 .40 46, .92 19, .26 41, .63

607 HOH O 34 .05 15 .33 27, .11 31, .76

608 HOH O 29 .82 39 .22 15 .95 31. .38

609 HOH O 22 .03 56 .99 3 .70 30 .51

610 HOH O 24 .30 30 .66 15 .97 33 .68

611 HOH O 28 .52 28 .46 7. .84 32 .55

612 HOH O 23 .39 35 .28 6 .47 32 .67

613 HOH O 26 .58 28 .00 19 .97 32 .97

614 HOH O 17 .55 8 .68 14 .83 45 .41

615 HOH O 19 .80 14 .76 -4 .45 34 .44

616 HOH O 29 .61 31 .67 25 .61 28 .50

617 HOH O 23 .43 34 .09 1 .93 28 .53

618 HOH 0 16 .04 33 .21 8 .99 33 .04

619 HOH 0 4 .55 5 .88 2 .04 44 .55

620 HOH 0 39 .45 27 .78 6 .62 33 .91

621 HOH 0 18 .20 60 .28 3 .75 34 .02

622 HOH 0 4 .41 3 .50 7 .05 45 .26

623 HOH 0 13 .51 36 .52 9 .70 32 .33

624 HOH 0 35 .10 40 .84 10 .56 39 .07

625 HOH 0 2 .12 0 .78 10 .28 44 .29

626 HOH 0 25 .73 57 .13 6 .03 41 .40 627 HOH O 37..71 35..63 20..54 30..86

628 HOH O 43. ,03 36. .63 23. .50 32. .93

629 HOH O 36. .01 17. .56 5. .62 38. .49

630 HOH O 13. .12 44. .52 17. .79 42. .92

631 HOH O 39. ,73 33. .40 27. .81 34. .46

632 HOH O 11. ,23 54. .16 0. .48 47. .75

633 HOH O 0. ,52 5. .17 15. .73 53. .34

634 HOH O 29. ,77 39. .28 6. .12 40. .13

635 HOH O 30. .94 15. .26 8. .89 39. ,87

636 HOH O 40. .61 24. .66 31. .29 37. .75

637 HOH O 29. .66 29. .80 34, .40 36. .24

638 HOH O 45. .18 20, .93 15. .92 48. .54

639 HOH O 28. .44 10, .56 17. .33 41. .08

640 HOH O 45. .90 33, .92 21. .77 49. .36

641 HOH O 25. ,41 54. .11 13. .89 32. .10

642 HOH O 17. .34 34, .71 -5, .22 46. .65

643 HOH O 16. .21 35. .55 22. .54 40. .51

644 HOH O 25. .91 50. .17 0. .00 22. .60

645 HOH O 8. .86 26 .79 -0. .25 41. .92

646 HOH O 0, .48 5 .33 3 .94 43, .57

647 HOH O 35. .68 15 .37 36 .51 45. .60

648 HOH O 29. ,79 11. .58 34. .20 34. .28

649 HOH 0 32. .62 16. .35 -15. .22 47. .80

650 HOH 0 24. .18 7 .90 33 .41 35. .18

651 HOH 0 40. .68 38 .73 19 .62 49. .77

652 HOH 0 14. .30 32 .76 25 .36 45, .80

653 HOH 0 11. .12 40 .87 5 .44 42, .88

654 HOH 0 45. .77 39 .15 16 .70 48 .33

655 HOH 0 24. .08 32 .64 37 .60 43 .90

656 HOH 0 37, .29 46 .53 18 .94 48, .86

657 HOH 0 32, .12 12 .24 23 .50 51, .00

658 HOH 0 33, .64 47 .95 11 .95 39, .64

659 HOH 0 24, .64 43 .92 23 .73 36 .71

660 HOH 0 33, .73 28 .94 -3 .52 49 .34

661 HOH 0 18 .86 6 .72 35 .25 42 .26

662 HOH 0 37 .92 16 .97 21 .02 39 .46

663 HOH 0 24 .01 26 .49 20 .35 40 .59

664 HOH 0 31, .23 26 .82 33 .80 41 .14

665 HOH 0 -0 .19 9 .60 -8 .49 56 .42

666 HOH 0 8 .91 28 .42 3 .94 42 .10

667 HOH 0 35 .81 25 .65 31 .82 49 .92

668 HOH 0 27 .56 11 .66 -8 .28 49 .42 669 HOH O 33..78 15..98 22..33 45,.30

670 HOH O 19. .53 5. .87 4. .98 44, .31

671 HOH O 18. .91 4. .35 7. .88 50 .98

672 HOH O 36. .98 13. .84 25. .30 48 .93

673 HOH O 38. .59 41. .45 16, .58 32 .30

674 HOH O 38. .97 26. .61 32. .95 44 .10

675 HOH O 11. .99 33. .48 19. .26 60 .93

676 HOH O 25. .86 35. .91 5, .17 35 .59

677 HOH O 30. .34 31. .85 29, .00 52, .36

678 HOH O 22. .56 6. .88 0, .41 40, .35

679 HOH O 29. .62 50. .19 14, .75 41, .60

680 HOH O 27. .38 54. .16 16, .72 40, .53

681 HOH O 26. .13 45. .70 0, .28 39, .93

682 HOH O 8. .22 36. .49 13, .48 49, .36

683 HOH O 34. .99 8. .82 29. .24 49, .70

684 HOH O 11. .91 56. .24 11. .21 46, .07

685 HOH O 14. .17 39. .87 20, .99 58, .25

686 HOH O 15. .58 -2. .42 15, .05 54, .29

687 HOH O 23. .64 29 .43 18 .41 39 .17

688 HOH O 39. .44 58. .42 9 .75 50 .25

689 HOH O 29. .71 37 .66 31 .43 51 .41

690 HOH O 24, .14 10. .62 16 .37 43 .49

691 HOH O 3 , .16 2 .26 3 .76 41 .73

692 HOH 0 44, .41 18 .19 24 .90 22 .60

693 HOH 0 33, .12 13. .25 -5 .67 55 .43

694 HOH 0 37, .00 40. .27 25 .45 44 .68

695 HOH 0 32, .80 52. .39 7, .08 50, .24

696 HOH 0 37, .19 45. .34 5 .77 51. .10

697 HOH 0 32, .15 9. .75 15 .69 46, .61

698 HOH 0 22. .64 9. .39 -2 .32 46, .58

699 HOH 0 30. .19 38. .33 25 .07 44, .64

700 HOH 0 13. .97 2, .77 8 .30 48, .35

701 HOH 0 21. .40 42, .70 24, .11 50, .56

702 HOH 0 29. .31 49 .39 25 .21 55 .71

703 HOH 0 14. .71 15 .66 39 .60 44 .34

704 HOH 0 31. .55 15 .67 20 .55 44 .36

705 HOH 0 15. .34 31 .90 16 .50 50 .61

706 HOH 0 22. .30 13 .67 41 .41 46 .42

707 HOH 0 17. .28 28 .95 17 .80 50 .17

708 HOH 0 44, .89 40 .48 23 .32 50 .83

709 HOH 0 2, .79 9 .49 17 .71 50 .35

710 HOH 0 17, .09 45 .74 21 .61 49, .49 711 HOH O 40..83 18..33 7..49 53.,24

712 HOH O 40. .76 24. .99 -4. .79 53. .88

713 HOH O 13. .45 3. .75 4. .34 51. .07

714 HOH O 13. .87 19. .35 19. .40 50. .49

715 HOH O 28. .73 8. .68 34, .41 54. .97

716 HOH O 13. .64 -5. .11 17, .44 54. .43

717 HOH O 36. .26 35, .59 27, .97 47. .34

718 HOH O 33. .37 18, .85 44, .70 48. .82

719 HOH O 6. .71 0. .00 9, .41 50. .33

720 HOH O 26. .64 30. .11 40, .36 48. .26

721 HOH O 23. .18 53. .57 23, .17 40. .51

722 HOH O 31. .49 59, .59 9. .99 58. .96

723 HOH O 28. .57 36. .71 -2, .43 51. .63

724 HOH O 43. .62 24. .70 0, .10 54. .32

725 HOH O 21. .92 29. .04 -5. .58 39. .43

726 HOH O 11. .20 18. .92 35. .77 51. .38

727 HOH O 15. .13 37. .31 1. .21 47. .19

728 HOH O -0. .01 28, .28 17. .70 50. .46

729 HOH O 27. .39 22 .53 37. .11 47. .34

730 HOH O 34. .21 34 .22 0. .16 50. .96

731 HOH O 13. .12 58 .48 2. .65 51. .67

732 HOH O 20. .49 52 .09 26. .02 44. .09

733 HOH O 30. .62 11 .76 -8. .24 57, .36

734 HOH O 31. .63 10 .51 18. .84 50, .37

735 HOH O 9. .18 0 .28 14. .46 38, .98

736 HOH O 5. .99 25 .67 9. .68 46, .58

737 HOH O 8. .93 28 .98 37. .18 55, .06

738 HOH 0 17, .68 5 .51 22. .93 43, .21

739 HOH 0 34, .98 60 .80 9. .53 56, .13

740 HOH 0 42, .89 9 .36 24, .72 49, .28

741 HOH 0 -0, .80 56 .27 3, .50 48, .69

742 HOH 0 13, .27 -1 .32 17, .07 56, .57

743 HOH 0 41, .68 12 .65 23, .68 54, .33

744 HOH 0 6 .29 14 .12 -9 .74 59 .12

745 HOH 0 1 .95 50 .15 15 .71 49 .94

746 HOH 0 11 .84 8 .40 25 .38 48 .26

747 HOH 0 -2 .97 25 .15 22 .88 54 .79

748 HOH 0 44 .55 37 .77 13 .49 48 .06

749 HOH 0 28 .72 43 .22 -0 .57 52 .34

750 HOH 0 7 .14 3 .37 -1 .31 48 .81

751 HOH 0 11 .66 43 .66 8 .84 53 .97

752 HOH 0 28 .31 10 .59 22 .34 53 .11 753 HOH O 38..42 43.,09 25..86 57..29

754 HOH O 29. .97 13. .88 3. .79 51. .62

755 HOH O 21. .42 4. ,64 22. .61 54. .16

756 HOH O 40. .20 7. .79 23. .06 56. .43

757 HOH O 41. .81 37. .77 15. .39 49. .80

758 HOH O -0. .11 7. ,48 20. .80 47. .42

759 HOH O 15. .59 33. .53 32. .20 54. .95

760 HOH O 22. .25 13. .34 17. .64 54. .83

761 HOH O 30. .35 35. ,34 -6. .03 50. .96

762 HOH O 8. .97 31. .56 20. .72 46. .56

763 HOH O 28. .19 10. .18 5. .25 57, .18

764 HOH O 6, .37 24. .97 -1. .80 46, .74

765 HOH O 46, .45 22. .53 14. .01 53, .45

766 HOH O 23, .88 2. .29 5 .33 56, .89

767 HOH O 10, .60 28. .18 31 .99 59, .82

768 HOH O 10, .22 -8. .38 17 .49 47, .97

769 HOH O 30, .67 54. .99 8 .21 50, .61

770 HOH O 41, .23 14, .10 -13 .19 47, .68

771 HOH O 23, .90 37, .27 -6 .01 51. .20

772 HOH O 21, .86 -2, .07 15 .01 58. .37

773 HOH O 46, .14 15. .22 -13 .97 50. .56

774 HOH O 24, .12 25. .88 -6 .20 57. .75

775 HOH 0 36, .85 32. .50 -9 .07 53, .04

776 HOH 0 44, .90 27. .44 10 .24 50, .58

777 HOH 0 32, .01 43. .34 -0 .01 52, .02

778 HOH 0 42, .78 41. .99 15 .35 46, .99

779 HOH 0 27, .23 8. .06 13 .63 41, .37

780 HOH 0 -4. .56 11. .26 -5 .14 60, .25

781 HOH 0 -0, .14 0. .76 13 .14 52 .59

782 HOH 0 -0, .97 14. .58 6 .94 52 .92

783 HOH 0 35, .54 6. .83 14 .13 48 .00

784 HOH 0 34, .91 44. .89 2 .60 54 .22

785 HOH 0 40 .70 10. .29 39 .68 58 .24

786 HOH 0 -0, .66 13. .16 -9 .45 49 .93

787 HOH 0 44, .77 30. .60 14 .25 57 .50

788 HOH 0 35 .71 9. .26 16 .84 50 .54

789 HOH 0 40 .08 20 .88 41 .15 56 .80

790 HOH 0 -1 .34 6 .99 -1 .36 52 .88

791 HOH 0 -2 .64 22 .80 18 .94 47 .45

792 HOH 0 28, .88 26 .58 -9 .66 55 .55

793 HOH 0 -2 .91 2 .22 18 .41 58 .84

794 HOH 0 20 .03 2 .38 13 .60 62 .13 795 HOH O 4..33 29..17 3..51 56..17

796 HOH O 24. .40 -5. .23 14. .32 55. .42

797 HOH O 11. .98 6, .68 20. .92 46. .36

798 HOH O 29, .47 33, .53 33. .23 61, .18

799 HOH O 44, .81 23, .89 9. .42 60, .83

800 HOH O 24, .94 33, .99 33. .41 56. .17

801 HOH O 15, .41 4, .27 20. .07 62. .32

802 HOH O 42, .58 16. .11 31. .91 61. .85

803 HOH O 18, .15 21. .87 -6. .69 43. .02

804 HOH O 41. .88 9. .67 -3. .95 52. .01

805 HOH O 41. .67 46. .45 14. .91 56. .10

806 HOH O 31. .32 51. .46 3, .96 51. .91

807 HOH O 40. .85 49. .02 28. .89 44. .92

808 HOH O 8. .39 23. .98 7. .36 49. .45

809 HOH O 24. .60 -0. .05 3, .18 57. .90

810 HOH O 29. .68 52. .80 20, .64 48. .52

811 HOH O 35. .80 14. .52 2, .82 46. .20

812 HOH O 25. .70 37. .47 0, .97 46. .60

813 HOH O 28. .22 10, .78 0 .39 51. .08

814 HOH O 32. .75 -1, .61 6, .29 49. .47

815 HOH O 39. .48 13, .85 -18. .41 47. .14

816 HOH O 35. .38 14, .32 -11, .27 57. .92

817 HOH O 6. .32 29, .96 32, .51 54. .75

818 HOH 0 30. .36 10, .41 -4, .79 50. .54

819 HOH 0 42. .26 7, .53 -1, .32 47. .13

820 HOH 0 27. .08 39, .55 -1, .51 48. .87

821 HOH 0 17. .19 37. .48 30, .85 51. .61

822 HOH 0 6. .31 36. .98 16, .80 53. .27

823 HOH 0 20. .95 -6, .73 11, .38 45. .78

824 HOH 0 43. .63 16. .93 7, .97 55. .28

825 HOH 0 39. .85 53. .76 25, .68 55. .41

826 HOH 0 8. .62 29, .60 -1. .88 57. .76

827 HOH 0 39, .17 22. .45 38, .24 49. .51

828 HOH 0 19, .34 11. .12 -10 .64 58, .61

829 HOH 0 11, .12 -2, .62 13 .04 52, .56

830 HOH 0 13, .85 10 .54 36 .74 54, .40

831 HOH 0 4, .42 16. .30 27 .68 56. .42

832 HOH 0 36, .99 58. .90 6 .99 49. .94

833 HOH 0 38, .86 5. .09 36 .35 52. .41

834 HOH 0 40, .45 27. .12 1. .93 58. .74

835 HOH 0 11, .08 43. .41 27, .50 56. .58

836 HOH 0 2, .14 37. .91 6, .98 65. .13 837 HOH O 15..04 35..36 27..84 44,.03

838 HOH O 32, .58 44. .59 19, .00 49, .19

839 HOH O 21, .56 49. .71 30, .06 54, .97

840 HOH O 17. .34 3. .85 10, .52 56, .00

841 HOH O 41. .26 31. .98 12, .32 41, .17

842 HOH O 37. .87 33. .64 31, .81 45, .53

843 HOH O 8. .72 44. .48 16, .79 48. .05

844 HOH O 16, .75 16. .94 36, .98 47, .13

845 HOH O 38, .67 11. .34 36, .83 57, .11

846 HOH O 26, .95 37. .54 34, .83 54. .44

847 HOH O 16 .71 3. .06 25 .04 54 .63

848 HOH O 29 .62 0. .71 15, .43 49 .89

849 HOH O 11 .13 35. .11 25 .03 50 .95

850 HOH O 27 .96 6. .52 -4 .25 60 .91

851 HOH O 22 .95 2. .18 9 .91 56 .67

852 HOH O 7 .30 6. .99 20 .82 47 .37

853 HOH O 24 .77 10. .95 5 .29 46. .10

854 HOH O 32 .55 12 .10 33 .37 51. .57

855 HOH O 40 .90 32. .37 8 .73 55 .70

856 HOH O 30 .45 -3 .72 9 .44 55 .39

857 HOH O 6 .82 20 .87 0 .50 58 .04

858 HOH O -0 .18 14 .02 4 .58 54. .41

859 HOH O 35 .60 56. .91 3 .06 50. .35

860 HOH O 5 .33 29 .73 -3 .25 55. .58

861 HOH O 3. .17 28. .83 0, .00 52. .03

862 HOH 0 21 .72 38. .34 -3 .55 42. .75

863 HOH 0 29 .82 12. .65 7, .49 54. .66

864 HOH 0 0 .69 9. .49 14, .18 53, .60

865 HOH 0 39 .91 5 .61 42, .45 49, .44

866 HOH 0 -1 .20 44 .33 13, .01 56, .15

867 HOH 0 46, .95 17 .91 0, .31 54, .92

868 HOH 0 -0 .12 5 .70 6, .27 51, .87

869 HOH 0 35, .37 17. .13 -13, .17 59, .96

870 HOH 0 5, .04 20 .53 -6, .03 49, .44

871 HOH 0 29, .19 5. .44 18, .89 50, .81

872 HOH 0 23 .23 8 .67 20 .33 51, .38

873 HOH 0 42, .34 5 .24 41, .12 56, .89

874 HOH 0 -4 .20 57 .64 8, .36 50, .45

875 HOH 0 43, .43 20 .30 7, .23 55, .68

876 HOH 0 43 .81 12. .68 30, .53 53 , .71

877 HOH 0 8, .10 48 .57 17, .64 59, .12

878 HOH 0 43 .62 51 .09 24 .07 47 .09 879 HOH O 18..66 0..63 9..32 46..51

880 HOH O 36. .30 54. .22 8. .06 58. .23

881 HOH O 5. .40 42, .01 4. .78 57, .21

882 HOH O 36. .92 16, .36 -17. .94 56. .94

883 HOH O -7. .27 8, .94 -6. .02 46. .12

884 HOH O 25. .23 23. .94 43, .49 49, .60

885 HOH O 39. .58 14. .20 5, .44 57, .54

886 HOH O 46. .44 17. .25 12, .22 59, .20

887 HOH O 40. .75 39. .29 12, .23 63, .79

888 HOH O 3. .69 18. .28 1, .62 61. .17

889 HOH O 40. .74 42. .69 11, .23 52, .96

890 HOH O 34. .47 14. .26 13, .07 50. .81

891 HOH O 44. .47 37. .20 19, .13 57. .06

892 HOH O 8. .36 31. .47 16, .75 51, .58

893 HOH O -5. .44 9. .41 -0, .49 50, .26

894 HOH O 21. .41 10. .88 -5, .33 54, .09

895 HOH O 40. .88 31. .68 -10, .71 53, .74

896 HOH O 16, .52 47. .84 0 .76 56. .56

897 HOH O 16, .87 -2. .17 17 .44 62. .30

898 HOH O 15, .35 10. .84 -5 .18 63. .53

899 HOH O 38, .18 30. .50 -11. .79 57. .13

900 HOH O 24, .18 7 .28 -4 .16 58 .43

901 HOH O 37, .95 27 .10 -6 .54 56 .78

601 R75 Cl 19, .78 31 .06 15 .32 70 .23

601 R75 C2 20, .10 29 .67 15 .51 70 .98

601 R75 C3 18. .45 31 .54 15 .54 70. .33

601 R75 C4 20. .79 31 .98 14 .92 69 .78

601 R75 C5 21, .30 28 .97 15 .50 71. .35

601 R75 N6 19, .18 28 .68 15 .76 71 .81

601 R75 C7 18. .14 32 .91 15 .36 69 .99

601 R75 C8 20, .47 33 .36 14 .74 69 .53

601 R75 N9 21, .07 27 .65 15 .73 72 .00

601 R75 N10 19, .79 27 .52 16 .06 72 .25

601 R75 Cll 19, .15 33 .83 14 .96 69 .22

601 R75 C12 18, .82 35 .27 14 .77 69 .42

501 C02 CO+2 21, .08 25 .09 15 .13 90 .74

502 C02 CO+2 18, .08 25 .74 16 .42 90 .64

M M M M M M M M M M M M M M M M M M M M M M M lb lb lb lb lb lb lb lb Ul Ul Ul Ul Ul Ul Ul CO CO CO CO CO CO CO CO CO

> > > > l > > H H H ι-3 H PI ι-3 Ω Ω Ω Ω Ω Ω Ω Ω Ω < < < < < < tn in in in in cn cn cn EC EC EC EC EC EC EC P P P P P P P P P

TJ TJ TJ TJ TJ TJ TJ TJ 33 33 33 33 33 33 33 2 2 2 2 2 2 2 2 2 p p p - P P P

O Ω Ω O Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω 2 Ω Ω 3 o Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω t ti 63 03 > 63 63 03 co > rs rs t 63 03 > Ω Ω 03 co M M ro M CO M

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ui oo 00 OJ oo OJ OJ OJ o OJ OJ OJ oo oo M CO on OJ lb lb to CO o M CO M CO M O O o on -0 Ol ~3 1 CO CO VD CO VD vo vo 00

M eo lb 1 ui lb vo 00 cn lb CO CO 00 00 1 CO vo to Ul oo M o on OJ on lb to cn oo O OJ o lb on Ol o o CO CO o on o oi eo on 00 M lb on cn M to 00

M M M M M M M M M M CO M M M M M M M M M M M M M M M M M M CO CO CO O -o ^1 VD o VD ^3 ui Ol VD vo CO cn cn on on on ro to OJ lb

Ul lb OJ VD on to CO lb vo lb eo CO 00 cn lb lb ro lb oo on oo lb oo lb lb to 01 OJ CO en VD OJ O M OJ co M on M en -J Ul CO on cn oo O OJ oo to 00 to to co o M

1 1 1 1 1 1 1 I 1 1 1 1 1 1 lb lb on Ol on lb oo CO eo M M o O o o o o O O M o M to OJ J on to lb lb

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131 LYS NZ 16.,63 8..02 -0.,85 48..08

131 LYS C 21. .35 11. .20 3. .21 46. .58

131 LYS 0 22. ,34 10. .51 3. .46 46. .20

132 GLY N 20. .65 11. .81 4. .16 46. .59

132 GLY CA 21. .00 11. .63 5. .55 47. .02

132 GLY C 20. .43 10. .31 6. .01 47. .46

132 GLY 0 19. .95 9. .53 5. .18 47. .39

133 GLN N 20. .49 10. .04 7. .31 47. .31

133 GLN CA 19. .94 8. .80 7. .84 47, .50

133 GLN CB 20. .20 8. .71 9. .35 47, .52

133 GLN CG 19. .55 7. .51 10. .02 47. .37

133 GLN CD 19. .84 7. .47 11. .51 47. .81

133 GLN OEl 19. .56 8. .42 12. .23 47. .90

133 GLN NE2 20. .39 6. .35 11. .98 47. .86

133 GLN C 18. .44 8. .79 7. .57 47. .47

133 GLN 0 17. .75 9. .78 7. .82 47. .12

134 GLU N 17. .94 7. .67 7. .05 47. .42

134 GLU CA 16. .51 7. .54 6. .76 47. .55

134 GLU CB 16. .30 6. .95 5. .37 47. .28

134 GLU CG 16. .89 7. .79 4. .25 47, .46

134 GLU CD 16. .35 7. .39 2. .90 47, .67

134 GLU OEl 16. .51 6. .21 2, .52 47, .93

134 GLU OE2 15. .77 8, .25 2. .20 47. .81

134 GLU C 15. .83 6. .66 7. .80 47, .65

134 GLU 0 16, .27 5. .54 8. .06 47, .44

135 CYS N 14, .76 7. .17 8. .39 48, .48

135 CYS CA 14, .03 6. .44 9. .41 48 .95

135 CYS CB 14, .22 7 .12 10. .77 49 .64

135 CYS SG 15, .95 7 .11 11 .37 51 .90

135 CYS C 12, .54 6 .32 9 .10 48 .75

135 CYS 0 11 .95 7 .22 8 .52 48 .61

136 GLU N 11 .96 5 .19 9 .50 49 .01

136 GLU CA 10 .54 4 .93 9 .29 48 .82

136 GLU CB 10 .26 3 .42 9 .30 49 .17

136 GLU CG 10 .83 2 .67 10 .50 49 .97

136 GLU CD 10 .27 1 .25 10 .65 50 .44

136 GLU OEl 10 .30 0 .48 9 .66 50 .69

136 GLU OE2 9 .79 0 .91 11 .76 50 .77

136 GLU C 9 .78 5 .59 10 .42 48 .93

136 GLU 0 10 .20 5 .54 11 .58 49 .10

137 TYR N 8 .66 6 .22 10 .08 49 .11

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M M π 63 0

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1

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M M M M M M eo to eo to CO ro to CO 00 00 Ul on on lb lb OJ lb lb lb on on Ul Ul Ul on Ul on on cn 01 Ol O Ol Ol -0 ^1

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> > > > > > > TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ > > > > > > > > > > > > > > > > ι-3 ^P3 ^p] ι-3 ι-3 ^|-3 ^P3 33 33 33 33 33 33 33 EC EC EC EC EC EC EC EC EC EC EC cn in cn cn cn ω in in m CO CO cn in cn cn cn 33 33 '33 33 33 33 33 33 Ω Ω Ω Ω Ω Ω Ω ts t t t t t t t LS ts ts TJ TJ TJ TJ TJ TJ TJ TJ 3 3 3 3 3 3 3 3 TJ TJ TJ TJ TJ TJ TJ TJ

Ω 3 Ω Ω Ω Ω 3 O Ω Ω ts ts C3 Ω 03 > IS

M M M eo eo to to CO to M M M M M M M M M CO M M M M M M M CO M eo t M M M M M M M M M M M M 00 vo o M M o M o lb lb on on o vo oo o o VO co oo vo CO o vo o o vo CO CO -J Ol o o M eo eo

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OJ VD on lb OJ on lb ^1 lb lb Ol lb Ul on ^J cn on t CO M on lb eo vo o lb lb on 00 00 oo 1 00 vo lb vo Ul 00 vo VD o cn M to M cn O 00 00 o 1 M 00 vo eo vo Ol ro t VD M lb oo M M Ul ^ oo on cn on Ol vo to o eo oo o vo Ul

1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 O O o M o M M 00 to lb oo lb CO lb oo CO eo o o o 0J OJ to M M M M M on lb lb 00 eo M o o eo CO M o o M

Ul lb o M Ol Ul Ul to oo 00 eo vo co lb lb vo eo oo lb o to VD Ul 00 CO Ul CO 00 CO on VD lb vo eo Ul M OJ M ui VD on CO lb M lb 00 ui CO OJ 00 to CO o 0J Ul M lb Ol cn OJ on lb cn lb o vo -o. CO vo CO 00 OJ lb M o 01 vo 0J cn vo M eo lb l Ul oo OJ 00 00 00 OJ 00 00 oo oo OJ OJ 0J J oo 00 OJ OJ OJ OJ 00 OJ 00 OJ oo 00 00 0J 0J lb lb lb lb lb lb lb lb lb 00 00 CO ^3 ^3 1 cn cn Ol Ol on O CO 00 00 VD VD VD 00 00 vo VD o VD VD vo vo vo o o o M M M M M M

Ul CO M VO O O M to on on 00 01 on Ul o OJ 00 vo lb Ul ^1 vo VD o cn OJ Ol on CO o vo CO on Ul Ul vo CO lb vo 00 M O OJ Ul ^J on cn VD M o Ul Ul 00 CO 0J OJ 00 CO M CO M 00 vo M o lb on Ol to 00 CO co vo vo CO lb

170 ARG NHl 17..49 13..47 -1..69 38..17

170 ARG NH2 16. .23 12. .80 0. .11 38. .05

170 ARG C 22. .86 18. .11 1. .17 36. .87

170 ARG 0 23. .89 17. .72 1. .73 36. .36

171 GLU N 22. .86 19. .04 0. .22 36. .57

171 GLU CA 24. .11 19. .68 -0. .20 36. .63

171 GLU CB 23. .90 20. .59 -1. .42 36. .94

171 GLU CG 25. .11 21. .48 -1. .71 37. .02

171 GLU CD 24. .95 22. .33 -2. .95 37. .46

171 GLU OEl 23. .80 22. .55 -3. .38 37. .85

171 GLU OE2 25. .99 22. .79 -3. .48 37, .96

171 GLU C 24. .61 20. .51 0. .97 36. .14

171 GLU 0 25. .81 20. .53 1. .27 35, .88

172 ALA N 23. .68 21. .19 1. .62 36, .00

172 ALA CA 24. .01 22. .01 2. .77 35, .71

172 ALA CB 22. .79 22. .79 3. .22 35, .79

172 ALA C 24. .52 21, .13 3. .91 36, .10

172 ALA 0 25. .42 21, .52 4, .66 36, .09

173 ALA N 23. .94 19, .93 4. .01 36, .05

173 ALA CA 24. .30 18, .98 5. .07 35, .62

173 ALA CB 23. .26 17. .87 5. .15 36, .13

173 ALA C 25. .69 18. .37 4. .87 36, .04

173 ALA 0 26. .41 18. .11 5. .84 35. .43

174 GLU N 26. .06 18, .12 3. .62 35. .17

174 GLU CA 27. .36 17, .55 3. .34 35, .17

174 GLU CB 27. .46 17, .14 1. .87 35, .17

174 GLU CG 28. .73 16. .36 1. .52 36, .49

174 GLU CD 28. .96 15. .15 2. .41 36, .48

174 GLU OEl 27. .98 14, .53 2. .88 37, .21

174 GLU OE2 30. .14 14, .81 2. .64 37, .37

174 GLU C 28. .42 18. .59 ^• 3. .65 34, .47

174 GLU 0 29. .52 18, .26 4. .11 34, .10

175 ALA N 28. .08 19, .85 3. .42 33, .88

175 ALA CA 29, .00 20, .95 3. .71 34, .52

175 ALA CB 28, .42 22, .27 3 .23 33, .61

175 ALA C 29, .22 20, .99 5 .22 34 .36

175 ALA 0 30, .35 21, .18 5. .68 34 .13

176 HIS N 28, .14 20, .79 5 .97 34 .02

176 HIS CA 28, .18 20, .82 7 .42 34 .09

176 HIS CB 26, .77 20, .79 8 .00 33 .87

176 HIS CG 26, .69 21, .24 9 .43 33 .81

176 HIS CD2 26, .31 22, .43 9 .96 33. .30 M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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33 33 33 33 33 H. H H H H H H H P P P P P P P 33 33 33 33 33 33 33 33 33 33 33 33 cn cn cn cn cn cn cn co cn Ω

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lb lb lb lb lb lb lb lb lb lb lb lb lb Ib lb lb lb lb lb lb lb OJ OJ 00 00 OJ lb lb lb OJ oo 00 J lb lb Ul lb lb lb lb lb lb lb lb OJ lb Ul to co CO CO CO M ro J Ib OO OO oo CO M o o Ol 00 CO 00 vo O CO M oo vo CO VD M o vo o M CO CO M t ui VD oo cn ] CO ^l ui Ol lb vo eo lb M cn oo 01 M OJ -O ] on o O lb vo lb on 01 on lb en VO o on en on lb on CO o

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to to to to to to t t to ro CO M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M o o o o o o o o o o o VD VD VO VO VO vo VD vo vo VO vo VO VD VO vo VO VO VO vo vo vo vo vo vo VO VO vo VO VD VO VD

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1 J co to t CO CO CO to 00 OJ OJ 00 OJ OJ OJ CO CO CO CO to CO CO to to to to to to to to to J OJ 0J 00 OJ OJ OJ UJ J OO 00 OJ vo CO -J ] 00 oo co on lb lb lb OJ M o vo oo cn o 01 ^3 01 o on Ol OJ on en 1 vo vo to to to o o o o O CO OJ CO M to o o lb M 00 CO Ul M lb o M -J 00 lb cn vo lb vo M -J CO 00 lb CO on cn vo o o on vo M en Ul to M M lb ] cn lb ro oo M lb on en o M o VD 01 ui CO cn 00 o n as Ol ] o on -o M lb o to M oo on -J »o CO vo lb -J to on lb eo M M

M M M M

M o O o M o M cn O 01 lb lb lb 00 eo lb 00 lb Ol Ol on on oo on on en on on lb on ^1 on cn Ol Ol ^1 Ol ^1 CO o M O on on VO Ol ] σi cn CO Ul M vo o M o vo M lb eo on ] on 00 vo o -J 00 lb o to lb lb vo Ol lb to lb lb lb 00 00 CO OJ o CO 00 CO on M Ol CO ui O eo Ul on Ol OJ M on CO 00 Ul on lb OJ o oo CO oo vo o M VD ^1 on 00 o ] O on VO oo lb O

00 00 Ul J OJ 0J 0J Ul 0O OJ oo OJ 0J 00 00 oo 00 00 00 OJ Ul 0J 00 J lb oo OJ Ul 0J J lb lb OJ OJ Ul 00 Ul oo 00 00 oo J

CO ~J ^3 ^J cn Ol Ol 1 ^ Ol ] ^1 cn on Ol on on on lb lb lb on on on o ^J on lb OJ lb o o CO Ol lb oo to 00 lb lb lb OJ lb ^1 Ol 00 vo M lb M oo 00 01 M oo CO to lb M CO on 01 vo oo Ul lb M 00 CO 01 to M to to lb M lb to lb M VD o OJ !

M 01 o ] o lb vo lb co vo eo 00 VD vo Ol ^J ] vo O lb M lb M vo CO o co on ] M on ^1 lb Ul t M Ol CO VD ^J o ui

ro eo to to to t to to eo to to eo to to ro co ro to t to t eo to

M M o o o o o o o o o o o o o o o o o o o o o o o o o o o vo vo vo vo vo oo oo oo ~J -J cn cn l n* Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P H H H P P P P P P P P P P P P

CO P P P P P P P P P Ki Ki Ki Ki Ki P P P P P P P P ts rs rs rs rs rs ts ts Ki Ki Ki

3 3 3 3 G G G G G G G G G cn CO O Co CΛ CΛ CO cn cn t ES ES LS ts ES ts ES G G G G G G G G cn cn CΛ IΛ

Ω Ω Ω 3 Ω Ω

63 03 >

t ro to to to to to to to to oo OJ eo to ro oo oo oo oo oo oo cn -o vo o o o o o vo cn oo oo o o eo vo on vo oo on o cn on on o oo to vo o co vo o on o cn on on OJ o to on o on en oo o o cn on on o on on to t

O

-H oo oo oo oo t to to eo eo eo to eo to to eo eo to eo to to to vo oo on cn on cn on eo to oo on o to o to o M to vo on M on vo on cn M cn M o to on cn vo M on vo on vo on oo to o oo on co eo o on

1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 Ul lb OJ t to to to M o O M OO to CO 1 on lb 0J eo M M o M M o o o o eo eo o M o o oo o o M vo cn on on vo on o M vo to o o cn cn on on vo on o o on o on cn cn on cn o oo oo oo oo vo vo vo o vo vo vo vo vo vo vo vo vo co oo vo oo co oo -J co to on M eo on M to eo oo co M cn to en on oo to co to ui on M to o on on eo on ! on o eo on on on vo on on

211 ASN ODl 26.49 34.21 -6.08 41.41 211 ASN ND2 24.93 32.63 -6.44 41.31 211 ASN C 25.80 33.89 -3.03 39.60

211 ASN O 24.65 33.54 -3.31 39.36

212 GLY N 26.08 34.98 -2.33 39.57 212 GLY CA 25.01 35.83 -1.86 39.46 212 GLY C 24.00 35.05 -1.05 38.98

212 GLY O 24.36 34.29 -0.15 38.84

213 LEU N 22.73 35.22 -1.38 38.52 213 LEU CA 21.65 34.55 -0.68 38.30 213 LEU CB 20.44 35.49 -0.60 37.90 213 LEU CG 20.73 36.80 0.13 38.00 213 LEU CDI 19.59 37.78 -0.04 37.28 213 LEU CD2 20.97 36.49 1.60 37.29 213 LEU C 21.23 33.22 -1.31 38.35

213 LEU 0 20.25 32.61 -0.89 38.42

214 ASN N 21.98 32.79 -2.32 37.76 214 ASN CA 21.68 31.53 -3.00 37.67 214 ASN CB 22.06 31.63 -4.48 37.62 214 ASN CG 21.28 32.72 -5.21 38.13 214 ASN ODl 21.87 33.60 -5.83 39.00 214 ASN ND2 19.96 32.66 -5.12 38.40 214 ASN C 22.44 30.37 -2.36 37.10

214 ASN 0 22.01 29.22 -2.44 36.93

215 ALA N 23.56 30.69 -1.73 37.12 215 ALA CA 24.37 29.68 -1.06 35.99 215 ALA CB 25.25 28.95 -2.08 36.05 215 ALA C 25.25 30.39 -0.04 35.64

215 ALA O 25.94 31.34 -0.38 35.34

216 GLY N 25.25 29.93 1.20 35.13 216 GLY CA 26.08 30.58 2.20 34.01 216 GLY C 25.95 30.08 3.62 33.25

216 GLY O 25.54 28.94 3.88 33.03

217 LEU N 26.32 30.95 4.56 32.47 217 LEU CA 26.25 30.62 5.99 32.26 217 LEU CB 27.32 31.40 6.76 32.07 217 LEU CG 28.75 31.36 6.18 32.25 217 LEU CDI 29.73 32.02 7.16 32.13 217 LEU CD2 29.15 29.94 5.91 32.03 217 LEU C 24.86 31.03 6.47 31.66

217 LEU 0 24.46 32.18 6.31 31.05

218 ALA N 24.12 30.09 7.05 30.79 218 ALA CA 22,.77 30,.37 7..52 30..87

218 ALA CB 22. .03 29, .07 7, .79 30. .07

218 ALA C 22. .74 31, .26 8, .76 30. .45

218 ALA O 21. .78 32, .00 8, .99 29. .53

219 PHE N 23. .79 31. .16 9, .57 30. .80

219 PHE CA 23. .88 31. .97 10, .77 29. .16

219 PHE CB 22. .81 31. .54 11, .80 30. .07

219 PHE CG 22. .79 30. .06 12, .10 29. .89

219 PHE CDI 23. .79 29. .48 12, .87 29. .17

219 PHE CD2 21. .73 29. .27 11, .66 29. .92

219 PHE CEl 23. .73 28. .12 13 .21 30. .14

219 PHE CE2 21, .66 27, .92 11 .99 29, .43

219 PHE CZ 22, .66 27, .34 12 .77 29, .73

219 PHE C 25, .28 31. .96 11 .35 29, .74

219 PHE O 26, .14 31, .19 10 .90 29, .60

220 PRO N 25, .54 32, .84 12 .32 29, .76

220 PRO CD 24, .68 33, .95 12 .77 28, .91

220 PRO CA 26, .85 32 .94 12 .97 29, .30

220 PRO CB 26. .68 34, .12 13 .92 28, .92

220 PRO CG 25, .68 34, .96 13 .24 28, .96

220 PRO C 27, .22 31, .66 13 .71 29, .24

220 PRO O 26, .35 30, .88 14 .09 28, .91

221 THR N 28, .52 31 .46 13 .90 29. .38

221 THR CA 29, .04 30. .29 14 .59 28, .46

221 THR CB 30, .51 30. .05 14 .23 29, .69

221 THR OGl 30. .64 29. .89 12 .82 28, .74

221 THR CG2 31. .03 28. .79 14 .93 29, .14

221 THR C 28. .95 30, .48 16, .09 28, .69

221 THR O 29, .71 31. .25 16, .68 28, .02

222 GLY N 28. .00 29, .79 16. .72 27, .90

222 GLY CA 27. .90 29, .91 18, .15 27, .59

222 GLY C 29, .02 29, .08 18, .74 27, .73

222 GLY O 29, .37 28, .03 18 .20 27, .99

223 CYS N 29, .63 29, .55 19 .82 29, .11

223 CYS CA 30. .68 28. .79 20, .47 29, .45

223 CYS CB 32, .07 29. .18 19 .93 30, .91

223 CYS SG 32. .38 30. .94 19 .93 30, .36

223 CYS C 30, .55 29. .06 21 .97 28, .79

223 CYS O 31, .53 29. .21 22 .70 28. .76

224 SER N 29, .29 29. .11 22 .40 27, .04

224 SER CA 28, .93 29. .35 23 .79 28, .07

224 SER CB 27 .43 29 .12 23 .99 26 .86 224 SER OG 26,.71 29..91 23.05 26..21

224 SER C 29, .74 28. .51 24 .77 27. .81

224 SER 0 29, .89 27. .30 24 .61 26. .53

225 LEU N 30, .26 29. .18 25 .80 28. .78

225 LEU CA 31, .11 28, .53 26 .79 27. .27

225 LEU CB 32, .43 29. .31 26 .92 28. .88

225 LEU CG 33, .39 29. .48 25 .73 28. .24

225 LEU CDI 34, .55 30. .40 26 .17 28, .58

225 LEU CD2 33, .96 28. .14 25. .29 28, .54

225 LEU C 30, .52 28. .31 28. .18 28, .34

225 LEU 0 29, .85 29. .17 28. .75 29, .27

226 ASN N 30. .80 27. .12 28. .69 31, .72

226 ASN CA 30. .41 26, .71 30. .02 31, .06

226 ASN CB 31, .35 27, .41 31. .00 29. .74

226 ASN CG 32, .81 27, .15 30. .65 28. .62

226 ASN ODl 33, .17 26, .02 30. .33 28, .37

226 ASN ND2 33. .64 28, .18 30. .69 27, .77

226 ASN C 28, .95 26. .88 30. .42 31, .02

226 ASN 0 28, .09 26, .12 29. .96 32. .32

227 ASN N 28, .66 27. .85 31. .27 30. .25

227 ASN CA 27, .27 28. .02 31. .69 30. .78

227 ASN CB 27, .17 28, .91 32. .94 31. .62

227 ASN CG 27, .75 30, .29 32. .72 32. .18

227 ASN ODl 28, .93 30, .42 32. .38 32. .21

227 ASN ND2 26. .93 31. .32 32. .91 32. .05

227 ASN C 26, .44 28. .62 30. .57 30. .10

227 ASN 0 25, .21 28. .52 30, .58 29. .52

228 CYS N 27, .11 29. .24 29, .61 27. .87

228 CYS CA 26, .38 29. .82 28, .49 27. .99

228 CYS C 26, .09 28. .71 27, .49 26. .93

228 CYS 0 27, .00 28. .04 27, .02 26. .63

228 CYS CB 27, .18 30. .96 27, .87 31. .12

228 CYS SG 27, .22 32. .43 28, .95 28. .77

229 ALA N 24, .81 28, .52 27, .19 30. .54

229 ALA CA 24, .35 27, .46 26, .32 29. .75

229 ALA CB 23, .02 26. .94 26, .82 33. .48

229 ALA C 24, .21 27. .79 24, .85 31. .43

229 ALA 0 24, .39 26, .93 23, .99 33. .05

230 ALA N 23, .87 29, .04 24, .55 31. .76

230 ALA CA 23, .65 29. .40 23, .16 30. .10

230 ALA CB 22, .27 28. .90 22, .72 29. .66

230 ALA C 23, .75 30, .87 22. .88 31. .17 to CO to t to to to CO CO CO CO CO CO CO CO to to ro ro ro to CO to CO to CO ro CO CO CO eo ro ro CO co CO CO CO to to CO

00 00 00 OJ OJ oo 00 OJ OJ 00 OJ OJ OJ Ul Ul Ul Ul Ul J Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul oo 00 00 oo oo OJ OJ 00 0J 00 OJ J ui on on on on lb lb lb lb lb lb lb OJ Ul Ui Ul Ul oo Ul to to CO CO to CO CO CO CO eo CO M M M M M M M M M M o

> > > TJ TJ TJ TJ TJ TJ TJ β ι-3 1- ¹-3 ¹-3 ι-3 1-3 ¹-3 1-3 1-3 ►3 ι-3 ¹-3 1-3 EC EC EC EC > in CO CO > in m 33 33 33 33 33 33 33 EC EC EC EC EC EC EC Ki ; j Ki Ki K! Ki Ki Ki Ki K; H M H H H H 2 2 2 2 2 O O O O O O O 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 cn cn cn cn cn ω cn cn co cn >

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M eo M > EC ts CO CO M M > CO M CO

to OJ 00 0J 00 0J oo Ul 00 00 00 OJ OJ oo eo Ui ro eo eo CO to OJ oo OJ J oo CO eo to eo eo eo CO CO M to CO CO to ro to to vo o M CO CO CO to lb lb CO CO CO o o CO o vo vo CO CO CO OJ to M o M vo vo CO 01 lb on o VD o M M CO oo 00 ui on to ] lb Ol CO on M CO ] vo o o cn vo lb lb vo 00 cn oo ui ro CO on to 00 on o OJ M 00 o o oo o 0J Ul Ul co oo o

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CO to on lb M oo VD OJ OJ oo ui on Ol cn ] vo OJ oo lb M oo vo on M ^3 lb vo 01 CO on CO cn 00 M o CO 00 lb M lb M -0

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M M M M M M M M M M M M M M M M M to CO eo CO CO eo eo CO CO CO eo to CO CO CO CO to M to CO to to to

CO VO VD CO VO ^1 00 oo o VO oo VD vo VD -J Ol ! vo o O o CO OJ CO CO OJ 00 00 00 M M M M vo o o VD o M M M OJ lb lb lb Ol lb Ol oo cn Ol ] vo lb CO lb 00 oo ] M M OJ ] vo o CO 00 00 OJ M M co on on lb lb o 1 00 cn 00 o on -J

00 to M 00 o ui 00 M vo on oo lb o VD o lb M cn cn l CO 01 00 OJ vo M ^1 Ol lb oo o on M lb 0J -J to cn lb on 00 00

0J OJ 00 00 OJ to 00 to CO eo co OJ OJ OJ 00 OJ 0J 00 00 to CO CO CO CO to CO to CO CO to ro to co to eo CO CO eo CO t to to to M M M o vo o vo vo vo vo o o M M M o o VO vo vo VD vo vo VD VD vo vo vo CO CO CO vo vo o VD co co oo 00 -J

CO 01 01 00 ^J 00 o 00 CO vo VD M M on UJ oo ro lb OJ lb OJ ^1 on J o Ol CO o eo CO vo lb CO on ~J ^1 Ul VD co on M vo oi oo 01 VD lb on Ul oo VD CO o on CO vo eo CO o lb ^1 on CO o oo vo oo VD ] M vo o M 00 CO 0J M cn lb M o o ~J

to to to to to to to t ro to to to to to to t to to to eo to to eo co eo to to to to to ro oo oo oo oo oo oo oo o oo oo to M M M o o o o o vo vo vo vo vo oo oo oo -o -j -j -j cn cn cn on on on

P < < < < < < < H H H H H H H H H H H H H H > > > > > > > Ω Ω Ω Ω > > > > rs >

> > > > > EC EC EC EC EC EC EC EC EC EC EC EC EC EC in in CO CO ω ω cn cn P P P P P P P P P CO Cn cn

G P P P P P P P 33 33 33 33 33 33 33 33 33 33 33 33 33 33 TJ TJ TJ TJ TJ TJ TJ TJ κ! κ; κ; κ; > > > 2 2 2

2 Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 Ω Ω 2 Ω Ω Ω 2 O Ω 2

Ω Ω 01 63 03 63 63 03 > O J 63 03 > t to M > to to > 03 > O

M > 63

oo oo oo oo oo o to eo eo o vo vo cn o vo M o o oo oo on ui oo oo on on on vo o vo to eo vo o ui ui to o on M on

_^) cn ro on to M on M M M M vo t vo on cn

on cn cn o -o oo o M to oo to o o

to o ! ro to vo oo o to _^J oo o co on o on cn o co co vo on cn to to on o o on o vo eo eo eo eo eo to eo eo eo eo eo to to to to eo to to to to to eo eo to M on on on on ui on on on to OJ M eo M o vo o on cn -o on to o to o eo cn eo o o to o o o on on on o o o vo ~o oo oo oo oo oo to o o M to eo to ro ro ro M to to to oo to eo eo to OJ to o on on on M o to o o ui o vo o to on ui ui eo M oo o on on o to eo vo o eo ! on on cn M to M oo oo on eo on

to ro to

> > > > > > > > > > > > P3 ι-3 ι-3 1-3 ι-3 ι-3 ι-3 Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P cn cn CO cn n n in C >Λ cn c >n m cn cn m Ki Ki Ki Ki Ki Ki ; Ki Ki Ki P P P P P P P P P LS ES LS LS ts LS ts

TJ TJ T3 TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ 33 33 33 33 33 33 33 33 33 33 33 33 3 3 3 3 3 3 3 3 3 G G G G σ G G

o oo cn cn cn on ι on cn o vo co oo vo vo vo eo co to vo o eo o o o vo o vo vo on to o oo vo to to to vo vo o o oo o on eo on o on vo to o -J on o o on eo o on eo on to on o ι cn eo to eo eo eo eo to to eo ro ro to to eo eo eo eo eo to eo ι on o to to eo vo o o eo ui o on ! ui cn cn oo o σ cn o eo oo o o on o to o on o on cn M on -o on to on o eo vo on on on vo to o cn o o on on oo on co o o o vo vo cn o t to eo oo co to eo to eo to eo eo to eo vo vo o to o o o vo oo vo vo oo vo vo on on t on on to on o cn to o on co on o vo on vo on vo cn vo eo vo to cn o on oo o ro on on co eo o eo o oo oo oo oo co oo to eo oo to eo o vo o to to co eo eo to vo o o vo to cn vo ui on vo vo M o o o eo on on cn eo vo on cn on on o vo vo co on oo cn to o on oo co vo o o o o

CO to CO eo eo eo eo CO ro CO CO eo CO CO eo CO CO CO eo to to to t CO to CO CO CO eo to CO to CO eo to CO CO co co co to eo on on on on on on on ui Ul ui ui ui ui ui Ul Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb

CO M M M M M M M M o o o o o o o o VD VD vo VD VO VO VD VD vo CO oo oo oo oo oo ^3 ~J ^ ^1 ~J l -J ~J 01 Ol

TJ > > > > > > > M H H H H H H H P P P P P P P P P Ω Ω Ω Ω Ω Ω H H H H H

EC CΛ cn cn cn in cn cn CΛ P P P P P P P P Ki Ki Ki Kj i Ki Ki Ki Ki Ki P P P P P p p p n CΛ

ES TJ TJ TJ TJ TJ TJ TJ TJ ES ts ts LS ts ts LS ts O CΛ CΛ CΛ CO CO n CO cn CO co CO C3 cn CΛ LS LS LS LS ts ts ts ts TJ TJ

3 Ω Ω π Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 Ω Ω 3 Ω Ω Ω Ω Ω 3 O Ω cn Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω 3 O Ω fl 63 03 > f 63 63 no > IS rs l 63 03 > 63 03 > O 63 63 03 > to M M M to M M CO

CO eo t CO co CO t to CO ro to OO 00 OJ 0J co co eo CO CO CO CO eo CO CO CO 00 00 oo OJ oo J oo OJ eo 00 00 00 00 oo OJ OJ cn cn cn Ul oo oo Ul Ol --3 ^j CO CO CO o o VD VD CO VD 00 O ! cn -j CO vo M M 00 OJ ro CO M CO VD o M M co 00 on lb

01 o on o ^j VD OJ lb ^J vo 00 ! M oo CO -J ui oo M lb on -J vo on vo VD to o M OJ M on M o oo en o cn cn on 00 VD

00 eo o lb J on on Ul oo oo ! co OJ o to 00 oo o to -j CO on M M Ol 00 ] oo VD M o lb M -j to to on Ol eo VD t

CO eo t CO to to CO eo CO to to CO co CO CO CO CO CO CO to CO CO CO eo CO eo CO eo CO ro CO CO CO CO CO CO CO eo eo CO CO to on ^j cn on on on Ol on Ul OJ lb Ul lb lb OJ lb lb cn Ul on on oo OJ lb lb lb 00 lb on on lb OJ lb OJ o M oo CO OJ OJ CO 0J co ] lb oo Ol CO M Ol O lb Ul Ul M lb vo ] eo CO o OJ to 00 j Ol oo -J o o M o Ol 00 ^1 VO on on lb 00 o vo on 01 cn CO CO vo lb co ] M 00 on 00 ^3 cn M 00 ] Ol CO eo o o on on vo lb CO o _^) eo CO Ol oo VO cn on on M ι OJ o M OJ

M M M M M M M M M M M M M M M M M CO CO to CO CO eo eo CO eo to CO to o CO to to to CO CO CO CO eo to eo to lb ui on ^J ui cn -J 01 1 ] ] CO CO on ^1 CO vo o o Ol on on oo CO to eo to 00 M OJ lb ui Ol cn 00 -J vo 00 ^J CO ^1 CO

M lb to 00 ~J vo lb on CO oo cn M to M on OJ Ol on cn VD cn o Ol on o vo on M vo 0J M CO oo lb cn ] lb on on CO ^J to

CO o vo o Ol cn cn lb 00 vo o CO CO o Ol 00 vo on CO CO vo to 00 vo lb Ol oo on 00 cn co cn o CO co on CO CO CO o o o to eo eo to CO ro CO t ISO to CO CO CO to eo to eo eo co eo eo to CO CO CO CO CO to 00 oo 00 00 00 oo oo 00 oo 00 OJ OJ 0J oo

^1 ^I ^ Ol Ol on ^j Ol cn cn ] o -J 1 ~J -o on cn cn CO CO _^> on ^1 Ol 00 vo 00 o o o o M M M o o M M M M on lb CO OJ lb vo on CO vo oo M 00 lb Ol M o ^1 00 on 00 eo 00 ^3 to ^1 00 M ^3 -0 oo OJ «o lb on to vo ~J lb oo vo CO Ol

M o lb o σi ^3 o Ol 00 M M Ul M lb Ol CO Ol on Ol oo cn o to Ul lb 00 ] lb 0J to CO Ol lb M ] CO o VD Ol M o vo

252 PHE CA 26..73 26..65 12..89 28..41

252 PHE CB 28. .18 26. .71 12, .37 27. .71

252 PHE CG 28. .69 25, .40 11, .82 27. .72

252 PHE CDI 29. .19 24, .42 12, .68 27, .92

252 PHE CD2 28. .66 25, .16 10, .45 27. .66

252 PHE CEl 29. .66 23, .21 12, .17 27. .16

252 PHE CE2 29. .12 23, .95 9, .93 27. .30

252 PHE CZ 29. .62 22, .97 10. .78 27. .35

252 PHE C 25. .81 26, .09 11, .82 28, .31

252 PHE 0 25, .40 24. .94 11, .90 28, .92

253 GLY N 25. ,47 26. .91 10. .84 29. .22

253 GLY CA 24. .59 26. .45 9. .79 29. .23

253 GLY C 25. .01 26. .86 8. .39 29. .40

253 GLY 0 25. .72 27. .85 8. .19 28. .72

254 THR N 24. .56 26. .07 7, .43 29. .75

254 THR CA 24. .83 26. .28 6, .01 30. .27

254 THR CB 25. .72 25. .18 5. .48 30, .17

254 THR OGl 25. .18 23. .91 5. .90 30, .53

254 THR CG2 27. .15 25, .32 6. .03 30, .32

254 THR C 23. .49 26, .19 5. .31 30. .23

254 THR 0 22, .55 25, .59 5, .83 30. .31

255 HIS N 23, .39 26, .77 4. .12 30, .80

255 HIS CA 22, .13 26, .72 3. .40 31, .02

255 HIS CB 21, .21 27, .87 3. .85 31, .13

255 HIS CG 21, .56 29, .19 3. .23 31, .54

255 HIS CD2 22, .39 30, .18 3. .65 31, .37

255 HIS NDl 21, .04 29, .60 2. .02 31, .29

255 HIS CEl 21, .54 30 .79 1. .72 31, .46

255 HIS NE2 22 .36 31 .16 2 .68 30, .83

255 HIS C 22 .34 26 .81 1. .91 31, .62

255 HIS 0 23 .33 27 .37 1 .43 31, .29

256 ILE N 21 .39 26 .23 1 .18 31, .83

256 ILE CA 21 .39 26 .27 -0 .27 32, .21

256 ILE CB 21 .59 24 .88 -0 .91 32 .30

256 ILE CG2 21 .44 25 .00 -2 .43 32 .19

256 ILE CGI 22 .99 24 .34 -0 .60 32 .39

256 ILE CDI 24 .11 25 .18 -1 .20 32 .13

256 ILE C 20 .00 26 .76 -0 .59 32 .59

256 ILE 0 19 .02 26 .12 -0 .25 32 .99

257 SER N 19 .92 27 .93 -1 .21 33 .60

257 SER CA 18 .64 28 .50 -1 .58 33 .82

257 SER CB 18 .00 27 .66 -2 .68 34, .08 CO CO to CO CO CO CO CO to CO CO CO to CO t CO CO to CO to to to CO to CO CO eo CO CO eo CO CO CO to CO to eo eo co eo co eo

Ol Ol Ol Ol 01 cn on 01 Ol Ol cn 01 Ol 01 01 Ol Ol Ol Ol 01 Ol 01 O 01 on on ui on on on on on ui on Ul on ui on on ui ui ui

CO eo to eo CO to to eo M M M M M M M M o o o o o o o o vo vo vo vo vo vo vo vo vo vo vo co 00 00 co _^3 ^3 ^J

> > > > > > > > H H H PH H H H H H H H H H H H M > > > >< Ω Ω Ω Ω cn cn cn cn n m in cn cn cn cn P P P P P P P P P P P P P P P P 33 > > > 33 33 33 33 >33 33 33 33 33 33 P P P P ES ES CS TJ TJ TJ TJ TJ TJ TJ TJ ts LS ts ts ts ts ES ES ES LS ts ts LS ts LS LS Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω κ; κ; κ; κ! 33 33 33

O Ω O O Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω 3 3 Ω 3 Ω Ω Ω Ω Ω 3 0 Ω Ω O Ω O O O Ω 03 > D Ω Ω 03 Cl Ω Ω 03 > EC EC t LS O Ω 03 > > Ω to M M M CO > M M CO co M

eo ro M to M M CO to to CO co co ro CO CO CO M M M M M M M M M M M M M M M M M M M M M M M M M o M CO M vo vo o O ro M o M to M o o CO VO -J CO VD CO 00 ] VD co co CO CO lb lb on -J o ! cn -J _^! CO Ol ! 00 on OJ vo M vo cn oo on 00 OJ lb lb cn vo co oo M M 01 OO 0J 00 00 00 00 M o M ^1 O CO CO M o OO lb o Ul CO lb 01 oo cn cn oo 00 lb lb VD on 01 CO M M M Ol to VD VD o ] M Ul oo M on M vo 00 ^3 lb lb oo CO on vo cn M CO ] M oo oo on o o CO eo to to CO CO to to to CO to co to co to CO CO CO CO CO to to ro CO t eo eo ro CO CO eo eo eo eo to eo CO CO CO CO CO eo

M CO on on on lb 00 oo lb OJ o M M to OJ lb 0J lb vo CO 01 cn on ui on on on on on ui lb lb lb on en 00 -J vo VD oo oo ι on on oo M o lb co 00 to cn oo ui CO to o M Ol lb CO M co ι -o Ol o oo -~3 on on ro vo on 0J lb ] o VO M o o 01 cn cn on 00 OJ M O o lb vo o ^3 M -J on to Ol CO CO lb lb o co o vo o ^1 Ol o o M M M M CO on o M ^J O VD 0J M

M M M M M M M M 1 1 1 1 1 1 eo CO lb lb 00 CO o vo vo Ol Ol CO -j oo ] -O Ol -J O CO ~j Ol Ul 00 00 M M o o o o M to CO oo CO M O o o OJ

CO Ul Ul M 00 lb ] lb lb OJ lb o CO oo o CO 0J vo OJ on lb ro CO M on CO M M o M vo on CO CO M 1 Ol VD -J Ul lb 00

CO to lb 00 to cn 00 Ul M Ol o CO vo M CO to vo vo vo OJ to M o 00 on lb OJ on Ul VD vo OJ CO 00 Ul ! M lb ui M M

OJ OJ 00 oo 0J oo 00 Ul OJ oo 00 00 oo 00 0J J 0J OJ OJ OJ OO 00 0J OJ oo oo 0J 0J J OJ oo 00 0J OJ OJ Ul Ui Ul 00 oo OJ 00 o M to ro M CO to M M CO 00 00 M eo to to o CO 0J to CO CO CO Ul co to on lb on lb 00 Ul 0J oo OJ Ul Ul Ul 00 lb Ul lb vo ^1 ui M on CO lb on Ol lb Ol o vo 00 o 0J M on o 01 VD VD -J CO vo 01 to VO OJ on J on on CO ^3 CO M lb 01 o 01 00 oo CO M OJ VD on ] lb lb vo Ol Ul cn M OJ M CO Ol VD 01 CO oo 00 on lb J 1 CO M CO M lb o CO on lb 0J M o ^ !

to CO eo to CO CO CO CO to CO CO to CO CO CO CO CO CO ro to CO CO ro CO to IO eo CO t to to to CO to CO CO CO CO CO CO to to

Ol Ol 01 01 Ol Ol 01 01 Ol on Ol on Ol Ol Ol 01 on 01 01 cn 01 01 01 01 Ol 01 Ol 01 01 n on Ol 01 01 on cn cn cn 01 O O 01

00 00 CO CO CO CO -O --3 -J -j ] -j -J Ol Ol Ol Ol cn cn o on on on on on on on Ul on on on lb lb lb lb lb Ul UJ Ul l OJ 00

¹-3 H H ι-3 H hi < < < < < < < H >-3 H H >-3 H J TJ TJ TJ TJ TJ TJ TJ TJ TJ 11 > > > > > Ω Ω Ω Ω Ω Ω

EC EC EC EC EC EC > U> > > > EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC P P P P P Ki Ki Ki Ki i Ki

33 33 33 33 33 33 P P P P P P P 33 33 33 33 33 33 33 ts LS ES ts LS LS LS ts LS LS LS > > > > > CO CO CO CΛ cn CO

Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω O Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 2 o Ω Ω Ω 2 Ω Ω cn Ω Ω 2

Ω Ω 03 > 63 Ω 03 > 63 63 03 ts IS O J 63 00

M CO M > IS to > 03 > 63 03 to M to M eo M >

OJ Ul Ul OJ OJ OJ 00 00 OJ OJ Ul Ui Ui 00 00 to CO CO CO eo co co OJ OJ OJ 0J CO CO eo CO to to t to to t CO CO to CO to to oi Ul lb lb on lb 00 00 OJ Ul lb Ul M M M vo 1 00 VD CO 00 00 M eo o M VO vo CO -J 1 Ul on lb on lb Ul lb lb OJ OJ eo

^J M J on OJ cn Ol vo CO on M l VD OJ o 01 on vo on oo 00 on vo M cn M on oo Ol J M to vo vo lb lb CO 00 lb ] CO Ol

M ^1 ^1 OJ to ^1 1 M 00 eo CO lb O o o O lb o lb M lb to M on eo o 00 M o on 01 vo 01 eo lb M o CO cn ui lb ui M M M M M M CO eo CO eo CO eo CO M M CO CO M eo M eo t CO to CO M CO M M M to M to CO to to CO CO M eo to to

CO vo ] CO VD vo M o M M M o O CO vo o o VO o VD M O O O o VD O vo CO VO o VD o to M M CO M oo o M eo cn o M lb CO OJ 00 00 o CO Ul CO On lb cn eo M cn o lb 00 to CO o vo OJ to OJ on on on 00 00 Ol on M Ul ] co OJ OJ lb cn CO o to O CO o lb vo M CO CO lb 00 CO on eo on σi oo VD M M M M o O VD lb to lb on Ol to M on Ul 00 o 01 M ! to to CO eo CO eo to eo ro CO eo eo CO IO CO eo CO CO eo CO M M M M M M M M M M M M M M M M M M M M M M on 01 cn cn on lb lb 00 o M M CO CO M to lb J OJ eo M VO VO cn _^) on ! cn ^J CO CO ] ~J _^J ^1 Ol ui lb lb CO CO OJ CO

OJ 00 o on Ul eo on CO M VD cn lb lb -J o Ol on lb M O 00 VD M CO cn 00 to 0J O 00 VD cn lb lb on Ul o Ul VD OJ lb 00

^1 M ro on lb oo vo Ol M o o lb 00 OJ 00 to M cn eo M OJ lb CO CO cn J cn Ol M CO ] lb lb ^1 ι VD M vo o ^ Ol M

Ul Ul 00 OJ OJ 00 eo oo OJ 00 Ui Ul 00 0J 00 00 OJ OJ J 00 0J OJ eo OJ oo 0J CO OJ 0J oo J t 00 00 00 00 00 Ul 0J 0J OJ OJ

M Ul 00 to M M vo o O M o o o o o o o o o O O O vo o o o vo O O o O vo O o o o o M CO CO M M ] o oo M vo lb vo on Ul o ^1 lb CO vo CO on 00 01 cn 00 01 cn vo on lb M CO OJ CO lb M vo lb o 00 CO on on -J on on 00 co vo OJ 00 -J M lb ι lb ^ Ul ui vo M on en 00 on on -J 0J cn vo co to O on Ol lb -O OJ vo Ul Ol CO VD oo o Ul on lb to

eo eo oo

H H >-3 H H H P P P P P P P P P T) TJ n TJ TJ TJ > > > > > > > > TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ ι-3

Ki Ki Ki Ki Ki Ki Ki Ki Ki Ki Ki 33 33 33 33 33 33 33 CO m cn cn CO EC EC EC EC EC EC

33 33 33 33 33 33 cn cn cn cn cn CΛ CO m CΛ υ υ O O υ υ υ 3 3 3 3 3 3 3 3 LS ES ES IS ts t tS ES ES ES LS 33

Ω Ω Ω Ω Ω 3 Ω Ω 3 Ω Ω Ω Ω Ω 3 o Ω Ω Ω Ω Ω 3 O Ω 3 O Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω 2 O rs π Ω 03 > ts rs ti 63 03 63 no > ti t ti 63 03 > CS ts t O O Ω 03 >

M M to M to M to

oo oo oo oo oo oo oo to to to to on on on on cn cn vo vo vo o oo on on on vo to oo vo oo vo cn M oo on eo M on vo on o eo co o o o vo o eo on o o on on o on on vo on eo o co M M M M to eo o vo on o vo on cn cn -o o vo o vo co oo oo to on o -o oo vo o vo ui co on oo on oo eo oo o o M to co co M M cn cn cn on ! M M cn o on eo o oo o on o o to to oo oo oo to oo oo eo to to to eo eo eo eo eo o o on to o o o o o vo -J to eo oo on on on on o cn on on to o eo to co vo o o vo cn M o co oo on vo cn oo on on o eo on o cn M M cn vo on M to o oo eo o oo oo OJ oo oo oo oo oo oo on oo o M M to to vo on vo vo on on vo on co M to oo to to oo on to on vo on on o vo to ! on eo o cn o ui

CO eo to to to eo to to CO CO eo CO CO CO to CO eo CO CO to to to CO to CO CO CO CO CO CO to CO CO eo CO CO to eo to to to eo ] ^i -J ] ^3 _^) ^J 1 ] -J ] ] J ! ^1 -J ^i -J ^1 o ^ ι ^1 -J 1 ^1 ^1 ] ι ^1 ~J ~J -~3 ^1 -J ] -J ι -J ^3 ~J -j

00 00 oo oo oo ι -o -J ^1 1 ^3 ^1 ^1 Ol 01 01 01 01 Ol 01 01 on Ul ui Ul Ul ui Ul lb lb lb lb lb lb lb lb OJ 00 J J OJ OJ

P P P P P hi ι-3 > > > > > ι-3 ¹-3 ts LS ts LS LS EC EC EC EC EC EC EC CO CO cn > in cn > in > CΛ CΛ Ki Ki Ki Ki Ki Ki

G G G G G 33 33 33 33 33 33 33 TJ TJ TJ TJ TJ TJ TJ TJ 33 33 33 33 33 33

CO CO to to to ro to OJ to ro CO to to to ro CO to to CO eo ro to to eo CO CO eo 0J CO oo 00 00 UJ 00 oo 00 oo 00 oo 0J 00 00 σ cn Ol 1 Ol Ol M VD VD VD 1 on Ol on cn ^1 -o ^3 O -o. vo 00 CO o vo o lb lb lb CO M CO o M lb l lb 00 to OJ vo OJ o o CO o on on o oi ui 01 lb vo cn o VO on Ol M ui on cn o Ol 00 vo M o co eo lb on o on oo vo ui o on on on Ul OJ CO oo co lb Ul to vo oo to M CO on M ^3 lb lb Ol o lb 00 cn CO Ul on M on o M eo Ol M

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M eo to eo M 1 00 O M ro OJ OJ Ol Ol lb lb lb ui Ul co ^1 ^3 cn lb oo to CO o o M M CO CO CO o CO M M CO 00 on lb co o o vo

^ vo M lb oi vo ^ M t oo vo VO VD M o 1 on on CO VO CO OJ Ol Ul M M Ul o o CO CO on 1 Ul co o CO o vo CO o Ul lb CO lb to OJ VD to O on vo to Ul ro ^3 vo CO vo Ol O M ui ^3 on Ul eo on oo on vo O M o o M VO oo M on

CO eo CO to to to to to to to to to to t to oo oo oo oo oo oo 0J Ul 00 oo 0J oo CO CO eo CO CO eo CO 00 eo 00 oo l oo oo Ol 01 Ol Ol on Ol on on 01 01 CO CO vo M M o M o o o o CO eo CO o o CO vo CO 00 vo VO o vo o CO to M o

O Ul M on VD lb OJ OJ o 00 to oo OJ M CO M cn M Ol vo M Ol J J lb vo Ol lb 00 on on 00 M o Ol CO on o o on lb M 00 to Ol to Ol o Ol cn oo vo lb lb Ul OO 00 CO co lb M lb M 00 00 on lb 00 vo 00 00 lb M VO lb vo o ^1 o vo M

OJ OJ J OJ 00 OJ Ul OJ 00 o OJ OJ J Ul OJ 0O oo 00 00 OO 00 00 OO UJ 00 OJ 0J 00 00 o 00 l oo OO 00 oo 00 00 00 l oo 00 ^3 Ol lb lb lb OJ lb 01 σ on on lb lb Ul lb lb lb lb lb lb lb Ul Ul Ul Ol cn on on Ul on 01 ^1 cn on on on lb Ol lb lb lb on eo vo CO on Ol ui oo 00 00 on to oo on 00 lb 01 on vo 00 CO vo 00 to 01 ui cn CO M M oo Ol lb on o VD vo on Ol o M M lb vo t cn ro M on 01 t lb M on to o CO lb 1 ui J M Ol M on on Ul oo CO 0J M lb vo on on CO M

278 LYS CE 27..06 6..81 25,.45 37,.91

278 LYS NZ 25. .61 6, .49 25, .20 39, .01

278 LYS C 24. .88 11. .59 26, .84 34, .47

278 LYS 0 24. .02 11. .22 26, .05 34, .93

279 ALA N 24. .59 12, .16 28, .00 35, .45

279 ALA CA 23. .21 12, .37 28, .41 35, .93

279 ALA CB 23. .16 13, .05 29, .77 35, .41

279 ALA C 22. .48 13, .22 27, .37 35. .77

279 ALA 0 21. .39 12. .85 26, .91 35, .81

280 VAL N 23. .08 14. .34 26. .99 35, .75

280 VAL CA 22, .45 15. .23 26. .02 35 .44

280 VAL CB 23, .19 16. .59 25 .94 35 .36

280 VAL CGI 22, .41 17. .55 25 .07 35 .55

280 VAL CG2 23, .36 17. .16 27. .33 35 .38

280 VAL C 22, .37 14. .62 24. .63 35 .66

280 VAL 0 21, .38 14. .79 23. .92 35, .08

281 LYS N 23. .42 13 .90 24 .24 35, .28

281 LYS CA 23. .41 13. .27 22. .93 35, .61

281 LYS CB 24, .75 12. .57 22. .66 35 .15

281 LYS CG 24, .81 11. .92 21. .30 35. .45

281 LYS CD 26, .14 11 .23 21. .09 37. .05

281 LYS CE 27, .29 12 .22 21. .15 37. .63

281 LYS NZ 28, .61 11 .52 20, .98 39. .18

281 LYS C 22, .28 12 .25 22, .88 35. .89

281 LYS 0 21. .51 12 .19 21, .92 35. .02

282 ASP N 22. .18 11 .45 23, .94 35. .44

282 ASP CA 21, .15 10. .43 24, .04 36. .41

282 ASP CB 21, .38 9. .62 25, .32 36. .80

282 ASP CG 20, .46 8. .41 25, .44 37, .52

282 ASP ODl 19, .86 7. .99 24, .43 38. .03

282 ASP OD2 20, .37 7. .88 26, .57 37, .72

282 ASP C 19. .77 11. .11 24, .05 36, .34

282 ASP 0 18. .82 10, .62 23, .44 36, .20

283 ALA N 19. .69 12, .26 24, .70 36, .08

283 ALA CA 18. .43 13, .01 24, .78 36, .19

283 ALA CB 18. .57 14 .18 25. .77 36. .12

283 ALA C 18. .03 13, .54 23, .41 36, .12

283 ALA 0 16. .85 13. .49 23, .03 35. .74

284 THR N 19. .00 14 .05 22, .65 35, .62

284 THR CA 18. .71 14 .57 21, .32 35, .83

284 THR CB 19. .94 15. .31 20, .74 35, .72

284 THR OGl 20 .21 16 .47 21 .54 36 .05 284 THR CG2 19..68 15..75 19..30 35..70

284 THR C 18. .29 13. .44 20. .39 35. .81

284 THR 0 17. .27 13. .54 19. .69 35, .44

285 ASN N 19. .04 12. .34 20. .38 35, .50

285 ASN CA 18. .66 11. .23 19, .52 35, .96

285 ASN CB 19. .72 10, .13 19. .55 35, .69

285 ASN CG 20. .96 10, .51 18. .79 36, .31

285 ASN ODl 20. .89 11, .06 17. .68 36, .44

285 ASN ND2 22. .12 10, .23 19. .37 36, .71

285 ASN C 17. .31 10, .66 19. .90 36, .16

285 ASN 0 16. .60 10 .11 19, .06 36 .33

286 THR N 16. .93 10 .81 21. .17 36 .60

286 THR CA 15. .64 10 .32 21, .64 36 .85

286 THR CB 15. .56 10 .36 23, .17 36 .35

286 THR OGl 16. .51 9 .44 23, .72 36 .49

286 THR CG2 14. .16 9 .99 23, .64 36 .00

286 THR C 14. .56 11 .21 21, .05 37 .30

286 THR 0 13. .51 10 .72 20, .63 37 .40

287 GLY N 14. .83 12 .51 21, .00 37 .99

287 GLY CA 13. .87 13 .44 20, .45 38 .52

287 GLY C 13. .74 13 .19 18, .96 38, .73

287 GLY 0 12, .64 13 .25 18, .39 38, .77

288 ILE N 14, .87 12 .92 18, .32 38, .84

288 ILE CA 14, .90 12 .66 16, .89 38, .87

288 ILE CB 16, .35 12 .49 16, .39 38. .83

288 ILE CG2 16, .36 11 .92 14. .98 38. .55

288 ILE CGI 17, .06 13 .85 16. .43 38. .63

288 ILE CDI 18, .55 13 .76 16. .15 38. .57

288 ILE C 14, .11 11 .39 16. .58 39, .33

288 ILE 0 13, .41 11 .31 15. .56 39, .33

289 LYS N 14, .22 10 .39 17, .45 39, .17

289 LYS CA 13, .51 9 .14 17, .25 39, .91

289 LYS CB 14, .03 8 .08 18. .21 39, .69

289 LYS CG 13, .20 6 .81 18, .25 40, .97

289 LYS CD 13, .90 5 .68 19. .00 41, .82

289 LYS CE 15, .06 5 .11 18. .20 42, .44

289 LYS NZ 15, .60 3 .85 18. .82 43, .43

289 LYS C 12, .00 9 .30 17, .42 40. .22

289 LYS 0 11, .22 8 .81 16. .60 40, .34

290 CYS N 11, .59 10 .01 18. .47 41, .26

290 CYS CA 10, .17 10 .21 18, .74 42, .32

290 CYS CB 9 .98 10 .75 20, .16 43 .88 eo to to ro t ro to ro CO ro to to t to to CO CO eo CO IO to eo eo CO to to to to CO CO CO CO CO CO CO CO to CO vo vo VD vo vo vo VD vo vo vo vo VO vo vo vo VD VD vo vo VD vo VO vo VD VD VD vo VD VD VD VD VD VD VD VD VD VD VD VD VD

01 01 O on Ol 01 Ol on on on on on on on lb lb lb lb lb lb lb lb 00 Ul Ul Ul Ul Ul CO to CO CO M M M M M O O O

> > > > > > > > > H H H H H PH H PH Ω Ω Ω Ω > > Ω 33 33 33 C > Ω Ω 33 33 33 33 Λ cn > O cn >n >CO cn O P P P P P P P P P P P P P P P P P KJ KI K; Ω Ω Ω Ω Ω Ω Ω P P P P P P P TJ TJ TJ TJ TJ TJ TJ TJ rs rs ES ts LS LS LS LS κ| κ; κ; κ; > cn CΛ Co

1 1 1 1 1 M M M O O o o M CO to oo oo Ul Ul lb 00 to o o o o o M to to Ul lb on CO oo lb on Ul en ^1 00 vo VD o vo o oo VD o

0J lb M as on lb eo to lb VD lb co on o VD eo 00 M to o VD o Ul VD M lb Ul o 0J o lb o Ol CO CO lb lb to O on cn o lb CO o M CO on 00 VD on 00 oo 00 00 M lb VD 00 M on lb Ul M CO lb 00 M M o J CO ui lb ui -J VD

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M Ul lb 00 ui on Ul lb on lb M CO CO 00 OO eo 00 M 00 eo CO 00 0J M to to OJ oo to 00 IO 00 to CO CO M CO oo CO M M M vo

CO M oo o OJ en OJ lb lb Ul Ol o CO vo M lb 00 00 M 00 on lb on ^3 M M 01 o lb cn oo M o M co vo vo o M on co CO VD M o o CO CO 0J M 01 00 VO 00 lb cn 00 Ol on 01 01 o vo 0J 01 oo to oo ui ^ to oo 01 Ul Ul ui o 00 oo eo to eo eo t M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M to

Ul CO o o o vo 00 en 1 Ul CO cn 01 on on on o M M 00 00 to to ro 1 CO vo vo M M oo to oo lb lb lb Ul Ol J M to OJ vo o on OJ Ul Ul 00 o cn Ol to vo o 00 lb ^J M on Ul M lb vo 00 CO CO n 00 CO 00 ui vo Ul o o Ul lb

CO lb M CO M lb 00 to CO lb OO o CO J to J 00 on o M CO o cn 00 00 oo CO CO lb 00 00 eo 00 Ol CO 00 ^1 on 00 on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul OJ to to eo to co co CO to CO CO CO 00 on on lb lb 00 0J ro to to CO CO CO CO eo CO M M M M M o M M M 00 on on CO OJ -0 Ol Ul OJ Ul O to OJ lb CO vo o cn on 01 M ro o o lb ui oo on eo oo vo ^3 01 CO o CO lb ui 00 o oo o lb cn on on co ui Ol 00 CO lb vo VD CO VD eo o o 00 M to CO CO eo cn Ol CO lb o o vo ui cn M eo 00 ui 00

00 Ul OJ 00 oo 00 oo 00 oo 00 00 oo oo OO oo 00 eo to CO eo CO CO CO CO eo CO eo CO eo eo CO eo to CO CO eo to eo eo eo eo CO o o o o o o o o o o o o o O o o vo VD vo vo VO vo vo VD VO VD vo vo vo VD VD vo vo vo VO vo VD VO vo vo VD VD to CO CO eo CO M M M M o o o o O o o VD VO VD vo o vo vo VO 00 00 00 CO CO 00 -J ^j ^J ^1 ^J ^1 ^1 ^3 cn on on 01

Ω Ω Ω Ω Ω Ω Ω Ω Ω > > > > > Ω Ω Ω Ω Ω Ω P P P P P P P P > > > P P P P P P P P P i >n cn cn CO cn >cn CΛ cn Ki Ki Ki Ki Ki j ts ES LS ES LS LS ts LS 33 33 33 33 G G G G G Ki i Ki Ki P P P P 2P P P TJ TJ TJ TJ TJ TJ TJ TJ CΛ CΛ cn cn cn O G G G G G G G G Ω Ω Ω Ω

Ω Ω Ω Ω 3 O Ω Ω 3 Ω Ω Ω Ω Ω 3 O Ω O o Ω Ω Ω 3 Ω cn Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω 3 3 O Ω 03 > > o Ω Ω 03 > D Ω 03 o Ω 00 C C > CJ CJ Ω 03 > EC E O M eo α M to M eo M

M M M 1 1 on Ol cn CO 00 o vo vo vo o VD CO o VD co -J ^1 01 CO eo 00 lb Ul lb on Ul M 00 lb lb O Ul Ol on on on ui Ul lb oo o M

M 01 00 CO lb Ol Ol Ol o oo lb CO lb o eo on co Ul ^3 M on CO oo co M VD 0J on lb Ol lb lb o M CO vo 00 on 0J 00 on cn VO lb to M 00 o vo lb CO vo o o 00 M o lb eo o 00 vo J M lb 00 0J oo lb M CO M CO lb ^J CO VD lb cn Ul M

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M CO CO M M M M M M M CO 00 lb lb Ul ui Ol Ol Ol lb on lb on Ul lb lb oo 00 eo J to 0J lb on Ol σi ^1 CO 1 1 vo M o VD 00 -J Ul Ol 00 CO

^J o M Ol Ul vo M o 00 on to vo ui ui cn Ol eo VD Ul co 00 o o 00 M oo o o vo ui co Ul on o 01 M lb lb M ui M o on on Ol lb Ul M ID Ol vo o vo M M lb 00 M M on o on CO M 00 ui lb CO CO lb on 01 Ul vo 00 cn eo M oo o 01 cn Ul eo eo eo CO to to ro to to to CO M eo IO to eo CO CO CO eo eo to eo CO CO to to CO CO CO CO CO M M M CO eo M CO M to eo

00 oo ^3 on on 01 Ul 00 00 oo VD o o to CO lb oo ro lb oo to 00 0J Ul lb lb lb lb CO eo M ^1 00 CO o o vo o o lb CO

00 -0 -J cn Ul vo to o co co 00 ^3 Ol vo M lb to lb UJ 00 M 00 on 00 0J eo CO o Ol M CO on on o 00 oo CO co Ul VD VD on lb CO oo 00 o on 1 1 M o M cn 00 M vo o o Ol M 0J o CO O vo o lb M CO CO on o CO lb o lb Ul on 01 0J lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

M M O o o o o o o o o o o o o o o o M M M M M M eo CO lb CO CO CO ro CO CO ro ro CO to CO CO lb ui vo on -J o lb o 00 o on ^1 lb CO CO 01 Ol lb vo cn oo lb M 00 o o on lb oo OJ lb o M to Ul Ul lb oo eo

00 oo M 00 M M to vo cn to VD ui cn o lb Ol on vo 0J Ol M Ul 00 on M o CO vo OO oo lb CO vo oo eo eo eo on VD cn

302 GLU OEl 4..47 12..68 27..86 42..59

302 GLU OE2 4. .74 12. .43 30. .03 42. .77

302 GLU C 9. .28 13. .51 27. .55 39. .71

302 GLU 0 9. .90 13. .09 28. .54 39. .46

303 ALA N 9. .44 13. .00 26. .33 39. .29

303 ALA CA 10. .36 11. .90 26. .05 38, .74

303 ALA CB 10. .21 11. .43 24. .60 38. .36

303 ALA C 11. .80 12. .34 26. .30 38, .67

303 ALA 0 12. .55 11. .69 27. .01 38, .28

304 ILE N 12. .17 13. .45 25. .67 38, .30

304 ILE CA 13, .51 14. .01 25. .79 38, .18

304 ILE CB 13. .59 15. .39 25. .08 38. .23

304 ILE CG2 14. .95 16. .03 25. .34 38. .23

304 ILE CGI 13, .34 15. .22 23. .58 37, .97

304 ILE CDI 13 , .39 16. .50 22. .80 37, .21

304 ILE C 13 , .94 14, .17 27. .24 38, .16

304 ILE 0 15, .08 13, .86 27. .60 37, .99

305 GLN N 13, .03 14. .68 28, .08 37, .93

305 GLN CA 13, .32 14. .90 29, .49 37, .92

305 GLN CB 12. .21 15, .74 30, .14 38, .03

305 GLN CG 12, .24 15, .77 31. .66 37, .82

305 GLN CD 11, .30 16, .80 32, .26 38, .56

305 GLN OEl 10. .17 16, .97 31, .80 38, .86

305 GLN NE2 11. .76 17, .48 33, .30 39, .01

305 GLN C 13. .51 13, .61 30, .27 37, .94

305 GLN 0 14. .40 13, .51 31, .12 37, .44

306 GLU N 12. .67 12, .62 29, .99 38, .00

306 GLU CA 12 .74 11, .34 30, .68 38, .28

306 GLU CB 11. .70 10, .39 30, .09 38, .85

306 GLU CG 11 .79 8, .95 30, .57 40, .34

306 GLU CD 10 .53 8, .18 30, .23 41 .21

306 GLU OEl 9 .80 8, .62 29, .31 41 .83

306 GLU OE2 10 .27 7, .13 30, .86 42 .22

306 GLU C 14 .14 10. .74 30, .56 38 .08

306 GLU 0 14 .71 10 .28 31, .54 37 .71

307 VAL N 14 .68 10 .76 29, .34 38 .16

307 VAL CA 16 .00 10 .22 29, .08 38 .17

307 VAL CB 16 .26 10 .15 27 .56 38 .65

307 VAL CGI 17 .66 9 .60 27 .28 38 .46

307 VAL CG2 15 .19 9 .29 26 .90 38 .47

307 VAL C 17 .09 11 .06 29 .72 37 .80

307 VAL 0 18 .01 10 .54 30 .36 37 .85 00 00 00 oo 00 Ul Ul Ul Ul l l Ul Ul UJ 00 Ul Ul Ul Ul Ul Ul Ul oo 00 00 oo 00 Ul Ul Ul Ul Ul OJ oo oo oo oo oo 00 oo oo oo

M M M M M M M M M M M M M M M M M M M M M M M M o o o o o o o o o o o o o o o o o

CO CO CO to to to CO M M M M M M M M M M M M o o o O o o vo VD VD VD VO VD VD vo vo 00 CO 03 00 CO 00 00 00

Ω Ω Ω Ω Ω Ω Ω hi ^ ^3 1-3 ^3 M; CΛ cn cn cn ω cn Ω Ω Ω Ω Ω Ω Ω Ω Ω ES ES ES ES ES ES ES ES P P P P P P P K; K; K; Ki Ki i Ki Ki LS ts LS ES ts ES P P P P P P P P P ES ts ES LS LS ES ES ES G G G G G G G 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 G G G G G G G G G β M; <-3 ι-3 ι-3

O O Ω Ω Ω Ω 3 O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω O Ω Ω 3 O Ω O O Ω Ω Ω Ω 3 O Ω Ω in Ω Ω Ω 3 LS LS J 0 > EC ts ts ts O Ω 03 Ω 03 > LS LS J Ω 00 LS CJ Ω 03 to Ω 0 M eo αeo M M to M

to CO CO CO co co to to eo to CO CO co CO eo co t to CO M M M M M M M M M M M M M M M M M M M M M oo OO oo lb Ui oo to M M CO to oo 00 M M CO to M o VD VD 00 ^1 -J ] ] -o lb OO lb on Ul -J Ol VD 00 00 VD 00 -J ^1 cn

^J M 01 o M lb vo 0J vo lb 00 on lb CO M to M ui o CO Ul eo J oo on lb 00 o M o CO Ol o vo CO M -J ] ui on VD vo on on to lb 01 lb 00 ^1 oo Ul 00 o CO o 0J OJ Ol M on 01 on VD vo lb o CO to on lb ] ^J Ol o CO CO M ^J o to lb ^J VD

M M M M M M M M M M M M M M M M M M M M M M M M M M M M

^ 00 oo VO o M o CO M ^1 00 00 VD vo o O M O o CO vo CO CO vo o M M O lb on lb 00 00 OO OO OO l Ol on lb oo to

M vo UJ CO lb ro on CO M co cn o on to O to o lb 00 CO eo oo lb lb ^1 lb ^ 00 00 on VD Ol M to o M OO M 00 ^3 00 00

00 ^j ^J M lb vo Ul M 1 oo oo 1 _^) ^3 Ol to o to vo lb vo vo M o ^1 cn M lb 0O vo VD o M M oo VD lb VD M lb M ^1

00 lb J 0J 00 00 Ul 0J 00 to to to 00 to J OJ oo 00 oo Ul oo 00 oo 00 oo oo 00 00 00 00 OO oo 00 OO oo 00 CO CO 00 to OJ CO vo o vo oo co oi on Ul lb -O 00 VD o VO o M CO 00 oo lb oo M co 00 00 on lb lb lb lb OO lb Ul CO eo M ^J 00 o ID o VD lb lb lb CO M 00 01 CO VO CO vo ^J vo l lb CO lb ^1 on eo CO on on on to lb CO ^1 VO on 00 00 O CO M Ul vo 00 M ] o on t oo oo oo o lb on vo Ol 00 00 VD CO o Ul on VD o ^1 M lb o vo ι vo CO to CO o lb M M lb vo M VD M -J Ul 00 00 lb oo Ul OJ 00 00 oo OJ 00 00 oo Ul 00 Ul l Ul 00 00 oo 00 Ul 0J 00 oo 00 00 00 oo oo lb 00 00 00 Ul OJ 00 00 lb lb 00 00 oo oo ] ι ~3 1 oi ι 01 ^ ^3 Ul Ul on cn on on 01 Ol 01 o -J 1 -o ~J ^3 O cn Ol vo o o 00 ^3 01 Ol ^3 -O O O vo oo o ] lb on ! 00 Ol o on Ol Ul lb 00 00 M on vo oo oo vo lb l 00 ] ~J to oo o on vo 00 on lb Ol vo CO CO 00 M Ul on 00 on -O

VD CO on vo M lb lb o Ol 00 OJ CO o M Ol vo M 0J Ul vo 00 0J M -o. on vo Ol VD 00 00 ^1 OO OO VD lb CO Ul ] cn Ol M to

Ul Ul UJ oo oo oo 00 00 Ul OO OO oo 00 Ul Ul Ul oo 00 00 00 00 00 00 00 00 00 00 00 oo 00 00 00 oo oo Ul Ul Ul Ul Ul M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M 00 00 00 00 ^1 ^J ] Ol 01 Ol Ol 01 Ol 01 σ on on on on on on on on lb lb lb lb lb lb lb lb lb 00 J Ul Ul Ul Ul Ul CO CO

P P P P Ω Ω Ω Ω > > > > > > H H H H H M H H Ω Ώ Ω Ω Ώ Ω Ώ Ω Ω < < <; < < < < Ω Ώ κj κ; κ; κ; t-^ι p p p cn cn cn cn cn cn ω ω p p p p p p p p p p p p p p p p p ^ι > > p p ω ω ω ω κ; ι κ; ; τ3 TJ TJ TJ TJ TJ 3. TJ IS IS ES ES LS tS LS IS G G G G G G G G G P P P P P P P G G

Ω Ω Ω 3 Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 O Ω O O Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω 2 O Ω

63 03 > > C3 O 63 03 > J 63 63 03 LS LS CJ Ω 00 > Ω Ω 03 > to M M M CO > to M

to to to oo oo oo oo oo 00 oo oo oo 00 oo 00 00 00 00 to 00 oo OO Ul Ul 00 oo 00 00 0J 00 OO CO to eo eo to CO eo CO co to co

00 VD VD M M CO 00 lb lb lb lb Ol on lb lb lb eo CO VO o CO M eo M M o CO eo M M O VD 00 ι ^1 cn 01 ^1 oi on on lb

M On 00 00 Ol o on o O to co on lb -J J O o -J VO ^3 on lb o O ^1 vo o oo vo lb lb 00 VD o cn Ol 0J M VD lb ui vo o CO 00 o on CO on CO 00 oo Ul o O o on OO M M M Ol 01 ~J -J lb o Ul o 00 -o to M UJ CO ] cn vo CO CO M vo lb

M M M M M M M M M CO M CO M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

00 00 cn Ol on cn cn Ol oo ] o VD o vo co ! 00 ] ~J Ol CO -O on on lb lb eo o M 00 CO Ul 00 Ul 00 on 0J 0J CO eo o M

~J lb vo ^1 vo to o lb Ol -O vo on o 01 M lb o lb VO on -J -J CO O ui o VD VO o on -J eo vo 00 M CO -J CO 01 Ul lb

UJ on Ol Ol lb lb on 00 on cn M oo on IO o OO oo cn Ul M CO o o CO on Ul on o CO ] M on 00 ] vo vo ] J CO o to lb lb lb lb lb lb lb lb lb lb lb 00 00 00 lb lb OO lb 0J 00 00 00 Ul Ul 00 00 00 lb lb lb lb OO oo Ul Ul Ul 00 00 Ul OJ 00 00 OO

Ul to OJ eo lb 00 00 to eo M CO CO CO o O VO o vo on on on -J CO 00 -J 00 eo M M o VO 00 -o 00 ^1 on lb on Ol Ol Ol 01 lb VD o o ] 01 oo o Ol ^1 M cn vo M OO 00 o to o VD lb o o cn lb eo 00 o on ^1 ^3 00 CO ^1 co -0 CO lb 01 VD o on o oo M lb vo CO on lb o co vo eo o oo co M oo lb M lb ~J 01 oo M o 00 oo o vo on M ] M lb Ul vo oo OJ lb o -J co lb lb lb lb lb lb lb lb lb lb oo 00 00 lb lb 00 oo OO 00 00 OJ Ul Ul OO oo Ul lb lb OJ 00 Ul oo Ul Ul Ul 00 oo oo oo J 00 00

M o o o M o o O o o VD VD vo o o VD VD VD oo VD VD VD oo 00 -O ] M o VD vo co oo o cn o 1 ^1 1 1 Ol σi on

Ul cn 00 on o CO oo on 00 lb -J vo ^3 M M vo cn CO CO M OO o vo Ul lb VD M VD vo lb M o lb en lb M 0J o o lb eo ι

-J 00 lb Ol -J 00 00 vo lb 00 on vo 00 M CO vo o 00 M 00 VO o o Ul vo on o o vo M oo CO 00 on M VD lb eo lb lb 00 co

oo oo oo oo oo oo to to to eo eo eo eo co co co ro to to to to to to co to to co eo o o o o o o o o o o o

P P < Ω Ω Ω Ω Ω Ω Ω Ω Ω •-3 3 ^3 ι-3 ι-3 ■-a ι-3 P3 ¹-3 πs β i-s i-s i-s ^ i-a i^ p p p

Ki > P P P P P P P P P K; Ki K; Ki Ki cn cn P P P P P P P 3 3 3 3 3 3 3 3 3 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 cn cn cn cn cn

O Ω Ω O Ω Ω 2 O Ω 3 Ω Ω Ω Ω 03 > ts ES α

to to eo eo to eo eo to eo eo to eo to to ro eo to t to to to eo eo oo o o oo cn on cn on on on on on cn ! vo cn oo cn to on to vo ui cn o vo vo vo on oo on o o o oo oo on o on o -J o oi on o en on to o oo o vo to to O to to

•JA M to eo eo M M M M M eo to to cn cn on on on to ui on o o o oo co cn on on on eo oi o o on o on vo oo oo on oo o on on ι oo to on on -o oo o O to vo eo to vo cn on vo to on vo on on on eo to oo o o eo oo oo oo oo oo oo oo o oo oo on oo oo o vo vo vo vo vo vo M to to o oo oi to o o on on o on o vo on o cn on o o to vo oo o on cn o vo to on cn oo on cn oo o oo oo oo oo oo oo oo co ~o o o o vo co co oo vo co oo vo vo o o eo vo o as on cn on on cn on vo o on o vo o to to to o oo oo on cn oo vo to oo oo eo on oo to to

OJ OJ oo OJ 00 OO oo oo oo oo oo 00 oo OJ OJ UJ Ul OJ 00 oo oo oo oo 00 OO 00 00 oo 00 oo oo 00 oo OJ OJ 00 oo oo 00 00 00 OJ to ro to to to to eo CO CO to ro CO eo CO CO eo eo CO CO eo CO co co eo CO CO to CO CO CO CO CO eo to CO CO CO eo CO IO CO to oo ] ] ] -J ] ! _^! ^1 Ol 01 on Ol Ol Ol on 01 Ol Ol 01 ui on on on on on ui ui lb lb lb lb lb lb lb oo oo 00 oo oo oo oo

P > > > > > > > > > > > > > > M H H M H H H H TJ TJ TJ TJ TJ TJ TJ P P P P P P P LS ω cn cn cn cn (Λ CΛ cn > > > >

33 33 33 > •pa 33 33 33 33 33 33 33 P P P P P P P P 33 33 33 33 33 33 33 Ki Ki Ki Ki Ki Ki G 3 3 3 3 3 3 3 3 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ES LS rs LS LS LS LS LS O O O O O O O CO cn cn cn CO cn CΛ

3 O Ω

M M M M M M M M M M M M M M M M M M M M M M CO M M M M M M M M M M M M M M M M M M lb lb lb on on lb oo oo oo M CO 00 00 CO M M CO CO OJ lb on on o vo 00 ^1 1 on on Ul on ^1 Ol vo 00 ^ 00 oo

Ol M O O oo Ol t eo 01 VD VD o 00 vo on 01 lb OJ ^3 lb cn Ol ui VD M M to lb co Ul o o M M eo 00 lb 00 vo OO o OO 01 vo CO VO to M lb M lb M on o M vo O lb Ul cn vo CO Ol Ul on M cn Ul 1 lb o M o Ul 00 on lb o vo ^J co

CO to co oo eo to CO to CO CO to CO CO eo eo CO eo to to CO to to eo CO to to CO CO eo CO M M M M M eo M CO CO eo CO M 01 co o 00 VD CO ^J O on Ul cn lb Ul Ol on on lb lb lb lb 00 lb lb Ol lb Ui CO M M 00 vo VD co VD o VD M M M o vo lb cn ui on oo to vo on lb M OJ o 00 Ul M 01 lb CO to O O vo vo M o Ul eo lb o 00 vo 00 eo M oo CO ui on M VD M on oo CO CO lb CO co 00 lb M 01 co 00 co CO 01 01 lb eo 00 M vo lb M lb 00 oo eo o Ol on

M M vo 00 M IO lb M to eo to to co to to CO t CO CO Ul oo 00 oo OJ 00 oo 00 00 co to to to eo CO UJ CO oo 00 00 CO oo oo OO oo 00 J Ul ui Ul 00 Ol 01 on vo vo VD CO 00 vo CO VD cn lb on lb 00 eo M O O co vo co VD VD vo o vo M O O vo o M M M 00 Ol on lb

Ol to vo lb vo on VD CO M lb M on vo 00 on co eo OO O lb 00 on vo Ol Ul M O -j ^3 cn lb J oo 00 01 VD 00 lb o Ol M oo oo CO on 00 vo o 00 on lb M lb M oo Ul M M 01 lb co lb O M vo oo CO VD M VO VO CO 01 lb oo o lb lb o oo lb Ul

Ul 00 00 Ul 00 00 oo oo oo 00 OJ OJ lb UJ oo 00 00 OJ oo 00 00 00 OJ oo OJ Ul Ul Ul oo 00 OO 00 00 oo OJ 00 oo 00 Ul oo 00 Ul Ol cn Ol Ol Ol Ol cn on VD O vo VD VD co ~ ^1 ^1 Ol cn on Ol 01 on 1 oo oo co oo oo lb eo 00 VD vo ^3 on lb o oo M co O oo M o on VD on on on o M O on eo CO CO 00 o M 00 OJ lb oo vo CO vo Ul CO o M on lb 1 oo vo lb M Ol Ol on OO CO vo lb M 00 CO O cn 00 cn vo Ol o on Ol M vo CO lb VO VD o CO lb cn M Ul o eo oo

Ul Ul Ul Ul OJ Ul Ul Ul oo 00 OJ 00 00 OJ 00 Ul Ul OJ 00 00 OJ OJ UJ Ul Ul OJ OJ oo oo OJ oo oo oo oo oo oo oo oo oo oo oo oo

Ul Ul Ul Ul OJ Ul UJ Ul oo 00 oo oo oo oo J UJ Ul OO 00 J OJ Ul Ul Ul OJ OJ OJ to to to to ro to to to to CO to CO CO to CO J Ul OJ Ul Ul Ul Ul eo eo to CO eo to M M M M M M M M M M o o o o vo vo VD vo vo VD VD vo oo oo oo oo 00 00 oo

H H PH H H H H cn cn cn cn cn cn EC EC EC EC EC EC EC EC EC EC Ω Ω Ω Ω > > > > > P P P P P P P P P P P P P P LS ts ES ES LS ES H H H M H PH H H H H P P P P cn cn CO >CO >CO cn cn n ts IS ES LS LS LS ts ts LS LS ts LS ES ES 33 33 33 33 33 33 cn cn cn CΛ cn CO cn cn cn cn Ki Ki 3 3 3 3 3 3 3 3 G G G G G G G

Ω Ω Ω Ω Ω Ω 3 O Ω O Ω Ω 3 O Ω 3 Ω 3 Ω Ω Ω Ω 3 O Ω Ω 3 O Ω 3 o Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω D Ω Ω 03 > Ω J > ES ts D D Ω 03 M to > D Ω 03 M to M M IO > > α Cl Ω no eo M eo σ M >

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M on lb lb 00 CO M M M CO co O O CO M 01 on lb Ul lb to eo eo eo to 00 0J lb lb M CO M CO lb lb lb lb -0 VD ^1 01 on vo ui 00 Ul Ol cn Ul 01 VD lb on ^1 00 CO CO on eo o Ol o CO M CO CO J CO to M eo vo ui O cn oo CO eo CO CO oo

VD co o ^1 00 CO 00 on M oo on vo M lb CO ^1 ui o vo lb eo ^J M oo oo Ul ui cn CO 01 lb lb ^1 o lb Ol oo oo oi vo

CO CO CO eo CO CO CO eo CO CO CO CO CO CO IO to CO CO to to CO to to CO CO CO CO eo CO CO eo CO eo CO eo eo to CO CO CO CO eo

Ul 00 lb ui lb Ul lb cn on on lb lb lb OO lb on 01 Ol ui on on lb 00 lb 00 CO CO lb lb ui cn on lb lb on lb on co Ol J on on

CO 00 cn Ul ui cn M o 00 M lb lb M CO O M vo vo Ul cn lb ^1 o VD o CO CO lb M O M M M o Ol M vo oo OO oo lb ui VO M vo co VD o 00 CO Ol ^1 M to 00 M Ol lb 00 lb on oo o 00 00 lb Ul to VD M VO vo 1 0J lb CO on co o

M M M M M M M M M M M M M M M M M M M M M M eo eo eo eo eo eo CO CO to eo to eo eo CO eo to co o O co VO VD o CO CO CO to CO lb lb lb ui lb lb Ol ui Ol Ol ^ vo 00 vo o o M OJ M eo CO CO oo on lb lb Ol Ul on on on cn CO ui on VO CO on o Ol Ul co to CO oo oo Ol O VD oo eo o o 00 o on Ul M 00 00 00 VD on Ul to cn on M CO on 00 co on vo ui lb co on lb on ui CO cn on lb 00 00 lb Ol to Ul o ^1 Ul M ^ vo CO 00 eo lb CO 00 M to Ul CO on oo CO 00 ^3 vo

00 oo 00 00 oo oo oo 00 00 00 oo 00 00 OO 00 00 OJ 00 oo 00 oo 00 00 00 00 oo 00 00 00 0J Ul 00 00 00 Ul 00 OJ 00 oo oo 00 00 on lb lb 00 lb lb lb on lb oo lb on on Ol on lb lb lb lb lb Ul Ul on lb lb lb on on on 00 vo ^1 J Ol Ol Ol on on cn Ol Ol

M M O vo M ^1 CO o vo CO M CO 00 lb Ol to CO oo vo oo on on on vo 00 o o cn vo 00 00 ui oo Ol to en vo o 00 on o lb on on lb co eo oo ^3 vo Ol vo cn M CO lb CO IO oo -o. M Ol o to lb M ui CO CO CO M o o oo cn M CO M oo Ol oo

333 ILE 0 11..21 24..93 8.06 35,.20

334 GLY N 11. .84 27 .10 8 .27 35. .53

334 GLY CA 11. .21 27. .53 7. .03 35, .88

334 GLY C 12, .26 28. .07 6 .06 35, .92

334 GLY 0 13. .41 28. .26 6 .45 35, .89

335 GLN N 11. .89 28 .32 4 .81 35, .98

335 GLN CA 12, .88 28 .83 3 .87 35, .51

335 GLN CB 12, .31 28 .88 2 .45 35, .46

335 GLN CG 13, .34 29 .24 1 .39 35, .95

335 GLN CD 12, .79 29 .12 -0 .01 36, .56

335 GLN OEl 11. .58 29, .27 -0, .22 37. .03

335 GLN NE2 13. .66 28. .88 . -o . .98 36. .56

335 GLN C 13. .37 30. .21 4, .31 35. .32

335 GLN 0 12. .56 31, .14 4, .49 34. .98

336 TYR N 14. .68 30, .34 4, .49 35. .30

336 TYR CA 15. .30 31, .57 4, .94 35. .66

336 TYR CB 15. .04 32, .71 3, .95 35, .19

336 TYR CG 15, .79 32, .56 2, .64 35, .29

336 TYR CDI 17. .17 32, .71 2, .59 35, .34

336 TYR CEl 17, .86 32, .57 1. .39 34. .89

336 TYR CD2 15, .10 32, .28 1, .46 34. .98

336 TYR CE2 15, .78 32, .13 0. .26 34, .92

336 TYR CZ 17, .16 32 .28 0, .23 35, .26

336 TYR OH 17, .82 32, .14 -0, .97 35, .38

336 TYR C 14, .79 31 .97 6, .32 36, .19

336 TYR 0 14, .98 33 .11 6, .75 36, .43

337 ARG N 14, .12 31 .04 7, .00 36. .84

337 ARG CA 13. .57 31 .29 8, .33 37. .63

337 ARG CB 12. .04 31 .35 8, .25 38, .26

337 ARG CG 11, .35 31 .91 9, .48 39, .10

337 ARG CD 9, .84 31 .95 9, .28 39. .66

337 ARG NE 9. .19 32 .83 10, .24 40, .22

337 ARG CZ 7, .90 33 .13 10 .21 40, .73

337 ARG NHl 7, .11 32 .62 9 .27 40, .91

337 ARG NH2 7, .39 33 .96 11 .12 40, .95

337 ARG C 13 .99 30 .18 9 .29 38, .05

337 ARG 0 13 .30 29 .18 9 .45 38. .15

338 ILE N 15 .13 30 .37 9 .95 37. .93

338 ILE CA 15 .65 29 .38 10 .88 38. .25

338 ILE CB 16 .94 29 .89 11 .56 37. .97

338 ILE CG2 16 .64 31 .16 12 .32 37. .35

338 ILE CGI 17, .48 28, .82 12, .51 37. .54 oo OO oo OJ OJ oo oo OJ 00 oo oo oo oo oo 00 J OJ 00 00 Ul oo oo oo 00 Ul Ul Ul Ul Ul Ul Ul Ul UJ J OO oo OJ Ul l Ul OJ 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul Ul Ul Ul Ul 00 oo OJ Ul Ul OJ 00 00 lb lb lb lb OO 00 00 00 oo OO 00 CO to eo to eo CO to CO to M M M M O O O o o VD VD vo vo vo vo VD vo vo vo CO CO 00

< < < < H ι-3 H H h 1-3 ι-3 P P P P P P P P P Ω Ω Ω Ω > > > > > EC EC EC EC EC EC EC EC EC EC H H H

> > > > EC EC EC EC EC EC EC Ki Ki Ki Ki Ki Ki Ki Ki P P P P P P P P P H H H H H H H H H H P P P

P P P P 33 33 33 33 33 33 33 CO cn cn CO CO CO CO cn CΛ Ki Ki Ki Ki > > > > > cn cn CΛ cn CO cn CΛ cn cn cn ts IS ES

Ω Ω Ω 3 Ω Ω Ω o Ω Ω 3 o Ω 3 Ω Ω Ω Ω Ω 3 Ω Ω Ω 3 Ω Ω Ω Ω 2 Ω Ω 2 Ω 2 Ω Ω Ω Ω 2 Ω Ω Ω

63 03 > 63 63 03 03 03 > J O 63 no eo M > t rs t 63 > > LS eo rs

M M eo > ti

M M

M M M M M M M M M M M M M M o O VD VD o 00 CO ^3 00 00 j CO -J CO CO lb lb on oi oi σ cn Ol O -J 00 VO VD O o M CO M M CO CO CO CO 0J lb lb l

CO 00 VD 00 cn cn lb ^1 -J ^ cn vo ^1 on vo 00 -O o on -J 00 cn oo VD oo 00 CO Ul 00 ^1 00 O on CO cn on VD ~J -J αi 01 oo lb on 00 lb o co 00 o eo 00 M o vo vo cn oo CO on oo Ol M 00 vo 00 00 VO O OO on on on M M O lb M VD on o on lb ^1

M CO CO CO eo eo CO to to CO CO CO to eo to CO CO to CO to co to CO CO oo CO to CO CO 0J eo CO 00 Ul CO OJ 00 eo to CO CO CO

VD O M CO OJ OJ ] ui Ul lb on Ul on M 00 00 lb lb on 01 CO ^3 00 00 o VD -J vo oo M vo VD o M VO o O vo vo ^3 vo l

CO cn on 00 o on oo Ul vo vo CO lb lb -O M M lb 00 01 01 lb VD VD on on lb ^ O vo o vo M J o o CO ] ι o CO o on

M cn M VO lb ui CO lb lb VD lb Ol Ul on to M -J CO vo ^1 M ~1 CO -J vo -0 ^1 -J 00 CO ] CO vo CO CO CO cn on on vo M oo

M M CO M M M M to CO M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

VO vo O VO VD vo VO M o VO CO Ol Ol 00 oo lb lb on Ol on cn on lb 00 CO CO O M eo co eo ^1 -o on en Ul lb 00 to CO M M

^J to M cn VO Ul oo to OJ o M 00 00 o lb M ] lb o o 00 to M co CO 00 on OJ o vo ^J on -J Ol 00 ^J lb OO CO 1b VD 00

O oo 00 on to vo on to o 00 VD Ol vo CO vo O M on Ol M Ul Ul o o lb co 00 VD CO -j lb o 00 lb vo CO on eo vo vo l M lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb 00 lb lb lb lb lb lb 0J 0J 00 0J oo

M M M M M M CO co M M o M M M M M M M M CO M M M CO M M O o O vo M M M o O o vo co CO CO oo

00 00 M lb lb -0 lb lb 00 lb CO 00 o VD vo VO on 00 00 lb CO lb on lb CO OJ M 00 lb O CO o 01 OO vo VO M on cn eo en lb vo lb to eo oo ui lb 00 lb oo on on ] o lb 00 lb M 01 lb 00 -J lb O O VD M 0J VD lb VD lb CO CO M VO o en ^1 vo lb CO

344 VAL CG2 10..38 20..74 17..78 41..37

344 VAL C 10. .51 21. .55 21, .54 41. .25

344 VAL O 11. .71 21. .71 21, .71 41, .25

345 PRO N 9, .66 21. .39 22, .56 41, .19

345 PRO CD 8. .23 21. .03 22, .50 41, .05

345 PRO CA 10, .13 21. .43 23, .95 40, .80

345 PRO CB 8, .84 21. .40 24, .75 41, .01

345 PRO CG 7, .97 20. .51 23, .91 40. .78

345 PRO C 11, .07 20. .30 24. .33 41. .16

345 PRO O 11. .17 19. .29 23. .63 40. .95

346 ILE N 11. .78 20, .48 25 .44 41. .14

346 ILE CA 12 .67 19, .43 25 .91 41. .25

346 ILE CB 14. .16 19, .86 25 .81 41. .31

346 ILE CG2 14. .50 20, .14 24. .34 41. .21

346 ILE CGI 14. .44 21, .08 26. .67 41. .62

346 ILE CDI 15. .88 21, .57 26 .55 41. .63

346 ILE C 12. .29 19, .09 27 .34 41. .55

346 ILE O 13. .08 18, .57 28. .13 41. .50

347 ILE N 11. .03 19, .39 27. .67 41. .62

347 ILE CA 10. .46 19, .10 28, .98 41. .91

347 ILE CB 10. .60 20, .29 29, .94 41. .95

347 ILE CG2 12. .07 20, .57 30, .23 41. .86

347 ILE CGI 9. .90 21, .52 29, .33 42, .31

347 ILE CDI 9. .86 22, .71 30, .25 42, .57

347 ILE C 8. .98 18, .81 28, .80 41, .94

347 ILE O 8. .38 19, .18 27, .79 41. .81

348 LYS N 8, .39 18, .14 29, .79 42, .61

348 LYS CA 6. .97 17, .79 29, .75 42, .77

348 LYS CB 6. .63 16, .88 30, .94 42, .60

348 LYS CG 6. .94 17, .55 32, .27 42, .90

348 LYS CD 6. .22 16. .89 33 , .44 43 , .27

348 LYS CE 6, .70 15. .47 33 , .70 43, .45

348 LYS NZ 6. .04 14. .94 34, .93 44, .00

348 LYS C 6. .12 19. .06 29, .85 43 , .07

348 LYS O 6, .65 20, .15 30, .11 43, .26

349 GLY N 4, .82 18, .92 29, .64 43. .92

349 GLY CA 3. .92 20. .06 29, .74 44. .55

349 GLY C 3. .92 21, .02 28, .56 44, .81

349 GLY O 3, .63 22. .21 28, .74 45, .26

350 GLY N 4, .22 20. .53 27, .37 44, .77

350 GLY CA 4, .23 21. .40 26, .21 44, .81

350 GLY C 2 .91 21. .38 25 .48 44 .93 oo Ul UJ l Ul oo oo oo oo oo oo oo oo Ul oo oo oo oo oo oo oo oo oo oo oo oo on Ul Ul Ui on on on ui ui on on on on ui ui ui on on on on Ul on on on on on on on on on on on on on on σi on on ui Ul Ul ui on ib lb lb lb ib lb ib lb lb lb lb oo oo oo 00 to to to to to M M O

Ω ES ES ES ES ES ES ES ES > > > > > > > > > > > H ¹ 1-3 ι-3 ι-3 ι-3 > > > > > Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω P ES ES ES ES ES LS ES ES 33 33 33 33 33 33 33 33 33 ^•pa 33 EC EC EC EC EC EC EC P P P P P P P P P P P P P P G ¹-3 ^ β ι-3 β Ω Ω Ω Ω Ω Ω Ω Ω Ω 63 63 33 33 33 33 33 33 33 > > > > > G G G G G G G G G κj

3 O Ω Ω CO Ω Ω Ω 3 Ω 3 3 Ω 3 Ω Ω Ω Ω 3 Ω Ω Ω O Ω Ω 2 O Ω Ω Ω O Ω O O Ω Ω Ω Ω 2 O

LS CJ Ω 03 EC EC ts LS CJ Ω 03 to > Ω Ω 03 ts ts O Ω 03 > t > 03 > to M

1 1 1 1 1 1 1 1 1 1

00 CO 00 CO -J 01 on lb 00 to to OJ to to CO M o o M o CO M M o o o o o o M o o CO M eo M M M M M t M co on vo VD oo on to 00 M 00 CO M Ul lb 00 lb o M CO M vo CO M 00 M on M M 00 lb lb Ol 00 lb CO O vo vo

CO on oi VD eo M Ol vo Ul 00 Ul lb to lb M M co M Ul M OJ Ol VD vo CO lb to Ol - CO lb M eo on oo lb vo o o

M M M M M M M M M M M M M M M M M M M M M M CO CO eo eo to M M M M CO M to to CO CO eo to CO eo CO co cn 01 1 Ol J VD 00 lb Ol ui lb Ul cn cn vo 00 VD CO CO M o o CO vo CO CO o VD o Ol Ul on lb oo M M o

M oo OJ en 00 M VD Ul 00 UJ IO OJ o ui OJ CO VD vo o vo lb o vo 00 on eo M o on vo CO CO on lb eo lb lb o vo vo vo 00 cn Ol 00 CO vo lb CO 00 vo on eo on lb lb lb eo 00 CO M M M on Ul ^1 00 vo M vo lb .CO 01 cn vo vo o lb M o on M M

M M M M M M M M M M M M M M M M M M M M M M M M M M M M to CO CO eo eo CO to CO IO CO to CO to eo M CO CO ui on on OJ oo lb lb lb vo co 00 Ul en on Ul cn oo ^3 on oo oo oo VD VD o CO M ro CO eo CO o M CO to OJ lb Ol

CO CO CO on o o Ul on eo 00 o OJ M o vo on lb vo Ol lb oo eo on vo lb oo vo Ul Ul ^J M lb ^1 1 00 lb CO o o Ol -o ^3 ^J M M Ul M lb 01 M CO M to co ui on vo VD 00 lb o Ul o 00 o to vo lb cn o CO o vo o Ul OJ oo on M lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

00 OO oo oo lb oo oo Ul lb lb lb on on on Ul lb lb lb lb Ul on on lb lb on on on on on on on Ul lb on 00 on on on Ul lb on Ol vo lb lb vo M on on lb lb lb to CO VD CO ^1 M CO M VD 00 M o to lb CO oo o M VD o vo o 00 ^1 01 to M vo

00 01 lb lb J o eo Ul J ui 01 CO o CO lb lb M oo o VD o OJ M lb 01 00 lb on lb M cn cn Ol M l 01 OJ o ro

oo 00 OO Ul ui oo oo oo 00 OO oo oo Ul 00 oo 00 oo 00 00 OJ OJ OJ OJ OJ OJ OJ OJ oo J Ul 00 oo oo oo 01 o oi oi oi cn on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on

M o o o o o o vo VD VD vo VD vo vo VD CO CO CO 00 l -J _^) -O ~J J ] ] l cn en Ol 01 Ol Ol en 01

•-3 ι-3 ι-3 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω K! Ki Ki Ki > ≤ >! 3 > P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P 33 33 33 33 33 P P P P P P P G G G G G G G G G K; a a c c a G G G G G G G G G G G G

Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 Ω O O Ω Ω Ω Ω O Ω Ω O Ω O O Ω Ω Ω Ω Ω Ω O O Ω Ω Ω Ω D Ω 03 > Ω Ω 03 tS LS D Ω 03 > ES ES D Ω 03 > ts 6 ro > to r Ms ti 3 03 >

M M M M M M M M M M M o o M eo eo M M eo oo eo M o VD vo lb on on on ^J ^1 ^1 00 ^1 cn on lb lb CO eo CO 00 oo lb 0O on 0O o o o M eo Ul lb oo CO Ol lb 00 ^1 oo vo on Ol eo ^1 00 on 00 to 00 CO vo to o lb J vo M 1 Ol o -J ] o o CO M VD oo M ^1 CO Ul o to lb M OJ Ul CO vo VD 00 CO CO M lb 00 to M o o M 00 VD oo M lb 00 ^1 oo Ol M CO M 00 M VD cn oo M oo o 1 M Ul to ^l—' M ro M CO to to to to CO to CO CO M M CO CO eo CO eo CO M eo M M M M M M M M M M M M M M to to to M M M

VD o VD o o to o o M M o o 00 vo CO o M o o o VD o vo 00 l oo ] 00 on lb lb on 01 01 ^1 ] M o o vo vo ^1

Ul o Ol on M o vo J CO 00 lb ] ui -J oo 00 eo oo eo M o o M o o 00 oo o M CO 00 lb M ^1 to t vo vo vo on o CO

VO M on ^3 VD _^) vo CO on CO VD o to o o VD o 00 cn o oo CO eo 00 lb 00 o Ul o vo lb vo vo Ul vo cn o vo CO VD ^3 CO

M M M M M M M M M M M M M to oo oo CO o o o Ol oo ^1 oo 00 ^1 00 o M o 00 vo ^1 01 on on lb Ul Ul on oo CO oo lb on Ol -J 00 00 o 03 o o vo vo

OO co M CO co 00 o co o cn on to vo o lb to oo vo M ^1 vo o cn 00 Ul ] VD l 00 on on _^) Ol 00 vo co ^ oo o lb lb VD

M CO Ol lb Ul ^1 CO oo 00 lb VD vo o o on vo lb VD o oi lb lb M M Ul M lb Ol 00 to lb lb vo lo -J co vo M lb Ol cn

OO oo oo OJ oo oo oo oo 00 00 00 00 oo 00 lb lb oo lb 00 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on cn Ul Ul cn l -J ~0 -O ] ] oo oo VD o o VD o vo vo o M M M to 00 eo lb lb lb lb 0J 00 0J 00 oo on on lb lb lb oo

^1 -O VD vo 01 to M 01 lb Ol 01 on vo o M o 00 o on 00 lb lb o -J lb oo 01 CO vo ui M vo OJ cn •J ^1 eo lb 00 01 o cn

-O lb 00 vo oo lb M M -o on eo vo vo M -J CO M VD oo o oo OJ on oi oo 00 00 M Ol 00 1 lb ] lb on Ol oo vo VO Ol M on

oo oo oo oo oo oo oo oo oo oo oo oo oo oo cn en on cn cn cn on cn cn cn cn cn cn en on on on on on on oo to M M M M M

TJ TJ TJ TJ TJ TJ ι-3 >-3 ι-3 ι-3 ι-3 ^P3 ι-3 Ω Ω Ω Ω Ω Ω Ω Ω Ω H H H H H H H > β ι-3 ι-3 >-3 ι-3 ι-3 ι-3

EC EC EC EC EC EC EC EC EC EC EC EC EC P P P P P P P P P P P P P P P P P P > P P > > P > P Ki Ki Ki Ki ts ES ts t t IS 33 33 33 33 33 33 33 G G G G G G G G G LS LS LS t IS ES ts LS > > > > > 33 33 33 33 33

Ω Ω Ω Ω Ω O Ω Ω O Ω Ω O Ω Ω Ω Ω α 3 3 O Ω O 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω 3 O Ω O Ω Ω Ω Ω O Ω 03 > Ω Ω 03 O Ω 03 ϋ Ω Ω 03 EC ts LS D LS

M M > IS ES M > M M > 03 > M

to o o o o vo -o. oo on on on on vo on oo eo cn on o o on on o vo o oo on oo o oo cn o oo o on on on o on vo co vo on n vo o eo eo eo eo o o o vo vo o o o vo oo vo o vo o o o on on o o o on as vo on on vo o vo eo on vo o oo oo cn oo o o vo o eo oo ro eo eo eo M on cn on oo vo vo vo on oo o oo eo cn vo vo o on on co on cn

_^! on on on cn o on on o o co co o vo on co oo oo oo oo oo oo oo oo ro ro oo M on on on co cn on eo vo on on vo vo o oo o o cn vo o oo M on oo M vo

OJ on vo oo oo cn oo o eo o cn oo o vo vo vo on on eo ro oo o ι o

oo 00 00 oo oo Ul Ul Ul Ul Ul UJ Ul Ul Ul oo 00 oo oo oo OJ OJ oo 00 Ul Ul oo 00 00 oo oo oo 00 Ul Ul oo oo oo oo 00 00 00 00

^1 ^J ^J ] -o _^) ^J 1 ^ ^1 ^1 O ^1 ^1 o l ] ^J o -J 01 Ol Ol 01 01 Ol 01 Ol 01 cn cn cn cn Ol Ol Ol 01 01 01 01 on Ol oo 00 00 eo to eo eo M M M M M M M M M o o o o vo VD VD VD vo vo vo 00 CO 00 00 00 00 ^1 ^] ^l ^1 01 01 Ol Ol 01

Ω Ω Ω Ω P P P P P P P P P Ω Ω Ω Ω ι-3 ι-3 ι-3 ι-3 ι-3 . cn cn cn (Λ cn cn Ω Ω Ω Ω TJ TJ TJ TJ TJ

P P P P Ki Ki Ki Ki Ki Ki Ki Ki P P P P EC EC EC EC EC EC EC LS ES LS LS LS ts P P P P EC EC EC EC EC

P P P Ki Ki Ki Ki CO cn cn cn cn n O CO cn Ki K! Ki Ki 33 33 33 33 33 33 33 33 33 33 33 33 33 Ki Ki Ki Ki ES ts ES ts LS

Ω Ω 3 O Ω Ω 3 Ω Ω 3 O Ω Ω 3 O Ω Ω O Ω Ω 3 O Ω O Ω Ω 3 O Ω Ω 3 O Ω Ω Ω Ω 03 o 3 Ω Ω Ω Ω

> > LS LS α Ω 00 > > Ω Ω 03 03 > to M > Ω > ts LS LS

CO M

M M M M M M M M M M M M M M M CO to to CO CO CO CO co eo to ro CO CO CO CO to CO to CO CO to CO M eo eo CO M on cn ^J Ol ^] 00 CO -O CO on oi 1 VD co VD O O M eo 00 OJ OJ cn on on lb 00 M CO CO M CO M oo eo M M vo o o M VD vo CO on O M O o o to cn oo VD M on O on 01 M 01 O CO cn M 00 on M CO co 1 Ul VD on VO 00 oo Ul lb CO Ul O -o lb on vo M OO OJ M ^ o CO vo o lb O ι ^1 O eo Ol on vo CO CO M lb 00 o on ] on O M oo on M lb lb on lb o on M on

CO CO IO CO CO eo CO CO t eo t to to to to to eo CO to CO eo to M CO to CO CO eo to to CO CO CO CO eo M IO CO CO CO CO eo co ^1 01 on on lb lb lb on 00 00 ] ] ι on on oo lb lb 00 CO to VO CO O M M o M 00 to M O M o VO o o o lb lb lb lb 00 01 M lb J VD cn o vo cn CO J M cn on OJ lb lb CO to CO ] o co o lb 00 O ^J 00 on Ol o lb on o Ul on vo CO eo

^1 o _^) on OJ ! oo ^1 lb o vo to to M on cn ^3 to 01 vo co co CO o o VO lb vo ~0 vo co lb eo co oo CO oo ui on lb on ι oo oo 00 OJ OJ OJ oo 00 oo lb 00 OJ 00 00 00 OJ oo 00 00 OJ 00 00 OJ 00 oo oo OO 00 OJ oo oo 00 oo CO oo CO eo CO eo eo CO CO oo to 00 CO 00 oo Ul cn on o VD VD oo ~J ^1 ^1 ^1 -o Ol Ol CO cn on Ol cn on lb lb OJ 00 eo CO M vo o vo 00 00 ^1 to oo 00

CO ι 00 CO 00 vo o on eo 00 00 CO vo ui 00 O on to vo M o CO CO o to VD Ul lb vo oo lb lb on oo eo lb o eo 01 1 01 o

M 00 σ on lb ] J M -J CO lb VD O 1 ^3 VD ι CO M CO CO M vo on oo Ul Ul lb M O O Ol Ol Ul vo M 00 CO o CO M o lb 00 00 OJ OJ oo 00 oo oo lb lb 00 00 00 00 OJ 00 oo 00 OJ 00 oo OJ 00 oo oo 00 OO OO 00 OO 00 00 Ul oo 00 00 Ul 00 00 00 00 o vo vo vo VD VD oo CO 00 o O VO vo CO CO ^3 ι ] Ol on on on on on on on on lb lb OJ 00 lb lb Ul lb 00 00 CO 00 M M CO oo l lb o to o -J lb oo to M to O to OJ on lb ^1 VD lb ^1 vo CO o on cn to ^1 1 vo vo M lb on o 00 CO Ul o vo vo to ι M O O vo oo vo lb on o M o CO M lb en 00 M on J lb lb Ul -O to lb o VD Ul 1 -J VO lb 00 00 00 ui VD CO M lb Ol

oo oo oo oo oo OJ oo oo oo oo oo

^J -J -o. ~J -J ! -o -o o -J o -J cn cn cn cn on on on on on on on oo OJ

ES ES ES ES ES > > > > > > > > > > > > > > > EC EC EC EC EC EC EC EC EC EC <; <; <; < < <; < < rs rs IS rs rs CO CO CO cn tn t to tn tn tn in tn tn H H <; < <

> > > > > > > l > >

H H TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ CO CO cn cn CO >

H H H TJ cn cn O O CO P P P P P P P P P P P

co to to eo to to to eo to co eo vo -J on cn ui on to o vo o vo o o oo vo oo oo o vo oo ! co -o on eo vo on cn o M o o _^J oo M o o M eo -J vo M o on vo o vo M o to ι -o M cn on on eo t to vo to

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M M M o o vo cn vo vo eo eo o o o o vo o o cn on vo on cn o oo on cn to vo on on on vo o cn o vo oo oo eo on vo vo o vo on to on cn t cn to o on o -J o on M o vo J to vo on o cn M on M oo on eo M to on on oo to eo to M to eo M o o o vo vo o vo vo vo o o on oo on eo to oo o on ui o o o cn oo o on eo on o on o o cn on o ι on vo on o vo oo oo cn on on

Ul Ul Ul 00 00 oo 00 00 oo OJ Ul Ul Ul Ul oo 00 oo J 00 00 00 oo 00 UJ oo oo 00 00 oo 00 00 oo 00 OJ 00 OJ 00 00 00 oo 00 Ul

00 00 00 00 CO CO 00 00 oo oo 00 co 00 00 CO CO 00 00 00 00 00 00 00 00 00 00 00 00 00 00 J -J 1 ^ -O 1 ] ^1 ^J 1 ^J ~J

UJ Ul U) oo oo oo oo eo eo eo eo eo eo IO CO eo eo M M M M M M o o o o o o vo VD vo VD vo vo vo vo vo 00 00 00

¹-3 ¹-3 β EC EC EC EC EC EC EC EC EC EC ω cn n cn cn cn Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ES ES ES

Ki H H H H H H H H H H LS ts LS ES LS LS Ki Kj j P P P P P P P P P ES ES ES 33 33 33 33 33 33 33 33 CΛ CΛ CΛ CO CΛ ω cn CΛ CΛ cn 33 33 33 33 33 33 cn cn cn cn cn cn G G G G G G G G G . ¹-3

CO CO CO to to to to IO CO to to eo CO eo CO eo CO CO CO to eo eo eo to CO eo CO eo eo to eo CO 00 00 to CO to CO to CO CO to to M lb oo CO M O to M co Ul on on lb lb oo 00 lb on on 1 -J cn on on on CO oo lb on cn Ol o o VD 00 CO ^1 ^1 on σi 00

M lb M lb M lb VO M vo lb OJ vo 00 M M M cn on vo Ol M Ol on 1 cn CO on cn VD Ol on lb M 01 00 lb Ul M 00 M OO lb

O on o on CO o on o CO CO o co o on lb oo ^1 00 00 Ol o eo M M CO on ^ cn cn o -j oo lb lb lb on o lb Ol CO Ol O lb lb lb lb lb lb oo 00 00 00 OJ 00 OJ OJ 00 oo 00 oo OJ oo 00 UJ 00 00 lb lb lb lb lb lb oo lb lb lb lb lb lb lb lb lb lb 00

Ul eo CO M M M vo 00 vo CO OJ lb on lb on cn -J 00 vo vo ^3 00 VD VD M o o M O M o o lb IO oo oo eo M o o o on on oo CO oi VD M ^J 00 to ] lb co OJ M 00 lb ^3 oo OJ o Ul Ul Ul ^ cn ^1 Ol on 00 Ul 01 CO -J 01 on M M Ol CO lb IO M

M Ul 01 eo O lb oo vo on M ^J to lb 00 CO CO CO 00 00 on Ol CO 00 M on -0 CO on CO O M 00 00 M to M lb on o CO 00 oo

M M M M M M M M M M M M M M M M M M M M M M M CO to CO to CO to CO CO eo CO eo eo CO CO eo CO CO to to

~J on ^3 Ol on lb on on J cn ^3 CO 00 cn J ^1 -o. 00 01 ~3 vo vo 00 o o o o M CO 00 lb lb oo CO 00 00 lb ui cn cn ^1 on

Ol 01 CO M 00 ^J CO ui ^1 CO M o CO CO lb on o o on -J CO M vo M ^J vo ~j 00 M to o o o ~j o on cn M oo o o CO

VD lb P* oo ] VD o Ul 01 M vo lb OJ eo 00 M on on co OJ o ] M CO o eo o M on 00 lb vo vo ι vo CO o ! CO cn 00 M

00 oo OJ 00 00 OO 00 00 00 00 OJ 00 OJ 00 oo 00 00 00 00 00 Ul 00 00 OJ oo oo 00 oo 00 00 oo lb lb lb lb 00 0O lb lb lb lb to M eo eo eo M M M M CO M M M M M CO to 00 00 oo Ul lb lb lb on on CO ] cn -j J CO eo CO M M VD vo o M M lb

VD vo on CO M on vo oo 00 to on 00 on co 00 o to CO 01 lb VD o eo 00 lb ] oo ^1 01 o o o CO ^J 00 M vo CO CO eo CO M

O vo j vo lb ^1 CO 00 eo on 00 M lb cn on M CO o lb M Ol vo cn M ^1 eo 00 00 to o t vo ^i CO ] cn o lb 00 Ol M CO

Ul Ul UJ Ul Ul Ul UJ Ul Ui Ul Ul Ul Ul Ul oo 00 oo OJ 00 00 oo OO 00 oo OJ 00 oo 00 00 00 00 oo oo 00 00 oo oo 00 00 oo oo oo

00 00 00 oo 00 oo 00 00 00 00 CO co oo oo oo oo oo 03 00 00 00 CO CO CO oo co 00 00 00 00 00 00 CO oo 00 00 oo oo oo oo oo 00

00 00 ^J ^i 1 ] ^1 ^J ^1 J 1 ] ι cn cn cn cn Ol cn cn on on on on on on on on on on lb lb lb lb lb lb lb lb OJ 00 00 00

> > TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ > > > > > > P P P P P P P P P ES ES ES ES ES ES ¹-3 ι-3 ι-3 β cn tn re EC EC EC EC EC EC EC EC EC EC cn ω in tn cn cn in cn Ki i Ki Ki Ki rs IS rs rrss rrss tS tS ES Ki Kj

TJ TJ IS ES ts ts LS LS t ES ES LS ES 3 3 3 3 3 3 3 3 cn cn cn cn cn cn cn 03 CΛ ^pj H H ^p H ι- ι-3 ι-3 33 33 33 33

Ω 3 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω 3 Ω Ω Ω Ω 3 Ω Ω 3 Ω Ω Ω Ω Ω 3 o Ω Ω cn Ω Ω Ω 3 O Ω O Ω

> ts ts LS O O 63 03 O CJ 63 CO S 03 EC ts to M to M to M > LS L α 63 00 > LS α 63

M M M M M M M M M M M M M M M M M M M M M M M M M M M M to eo to eo

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M 13 TJ TJ TJ TJ TJ TJ EC EC EC EC EC EC EC EC EC EC Ω Ω Ω Ω >

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00 00 00 oo 00 00 oo oo 00 Ul Ul Ul Ul Ul Ul OJ J OJ OJ oo 00 OO OJ 00 OJ OJ 00 oo 00 oo oo oo oo oo oo 00 00 UJ Ul Ul Ul Ul vo vo VD vo VD vo VD VD vo vo vo VD vo vo VD VD vo vo VD vo VD vo VD vo vo vo vo VD VO vo vo vo vo vo vo vo VD VD VD vo vo vo

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3 3 Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω 3 3 Ω 2 Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω EC EC ts LS O Ω 03 > Ω 03 > CJ O CJ Ω 03 C EC LS LS J Ω 03 > eo > E M CO M to M α Ω Ω 03 >

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lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb 00 00 oo OJ OO OJ OJ Ul 00 o o o o o o O o O O O O O O O O O O O o O O O o O O o O VD vo vo vo vo vo vo VD VD

OJ OJ 00 00 00 oo to to to CO CO eo CO CO M M M M M M M M M o O O o o o O o O VO vo vo vo vo vo vo 00 00

P P P P P P P P P P P P P P EC EC EC EC EC EC EC EC EC EC P P P P P P P P ι-3 H <-i H H H H > > ts rs rs rs rs rs t ts rs rs rs rs ts rs H H H H H H H H H M Ki i Ki Ki Ki Ki Ki Ki EC EC EC EC EC EC EC 33 33

G G G G G G G G G G G G G G CO cn cn cn CΛ cn cn cn cn CO cn cn cn cn cn CO on co co 33 33 33 33 33 33 33 63 63

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Ms l 63 00

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M t M

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Ul CO CO o lb Ul O ^1 M Ul O 03 00 Ol CO 01 CO lb 0J o o oo on lb 00 M lb 00 Ul lb co M 01 -J co 00 ^1 to lb oo vo ui

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VD VD VD M ^3 lb 00 lb oo M oi on 0J on to IO 00 o ~J eo vo M 00 vo 00 cn Ol ^1 on M ^1 lb lb -J o to Ol 01 M lb ^J lb to to to to to oo eo to to NJ CO to OJ 0J Ui 0J 00 Ul UJ OO IO OJ 00 OJ oo 00 00 0J 00 oo oo oo 00 Ul UJ Ul Ul Ul Ul 00 00 oo

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M M VD M o ] vo ui Ol on on o o o Ul 01 Ul o o vo lb 00 lb to CO vo o -J M on Ul 00 oo lb o Ul o M on CO on M

Ω Ω Ω Ω Ω Ω Ω Ω Ω > > > > > H < < < < < < < > > > > > > > > P P

P P P P P P P P P in rn rn rn rn cn cn P P P P P P P P > > > > > > > tn tn tn in tn cn IS rs

G G G G G G G G G 3 3 3 3 3 3 3 3 rs rs rs ts t t LS LS P P P P P P P 2 2 2 2 2 2 2 3 G G

Ω Ω Ω Ω Ω Ω Ω Ω 3 o Ω 3 Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 2 Ω Ω 3 Ω Ω Ω Ω 2 Ω Ω r IS fl 63 03 l tso > ti ti 63 03 eo > 63 63 03 to > 63 63 to no > fl t 63 03 eo >

eo eo eo to to eo to to to eo to co eo eo eo to to eo M o cn cn o o o o to on to vo vo o o o vo vo oo ui o oo oo o vo cn on vo on oo o on ι o ! o vo vo o cn eo eo o o on co co on vo to o on on o on on on -o cn vo o cn on oo on o o -o on o vo vo oo oo ! o o vo o o en vo on oo on co on on on o oo o cn to oo oo eo cn vo oo to

1 1 1 1 o o M M M o o oo vo on to co co on on vo o on o on cn oi oo to on eo eo vo on vo o on on co o o on vo ui on oo co vo to oo M oo on to to oo eo t to oo to to eo eo eo to to to eo eo eo to t eo eo co vo to to o vo vo vo vo vo vo vo o o o vo vo vo vo vo vo o oo vo vo vo vo vo vo on to cn o o o o cn cn on to on o cn o vo co o vo o on o on o to cn eo co o on on o o oo on

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M O O O O O o O O lb lb lb lb OO OO 00 00 OO OJ oo OO CO CO CO to to to to M M M M O O O o O O O O O O O VD VD vo VO VO vo VD VO

> > > > P P P P P P P P >-3 ι-3 H Ω Ω Ω Ω TJ TJ TJ J TJ TJ 13 TJ TJ TJ TJ rs rs P) H H H > > > > > rs rs rs >

P P P P ts rs ts EC EC EC EC EC ffl EC P P P P EC EC EC EC EC EC EC EC EC EC EC in tn in tn tn in tn tn

> > > > G G G G G G G G 33 33 33 33 33 33 33 Ki Ki Ki ts IS ts ts ts ts ts ts ES ts ES 3 3 3 2 2 2 2 2

Ω 2

to eo to to to M M to M CO M M M M M M M M M M M M M M co to CO CO CO CO CO CO eo CO CO eo CO CO eo ro t to

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J oo oo Ul 00 00 00 00 oo oo 00 00 00 00 00 0J 0J 0J 00 0J 0J 0J 00 Ul Ul 00 lb lb 00 lb 00 oo 00 00 00 OJ 00 lb lb lb lb lb lb

Ol lb on on ^1 on to oo 00 lb on en on 01 -J on 01 ] ~J vo co vo vo 1 co o o CO o CO vo 00 00 vo 00 VD oo M M o o M

M vo 00 M o 00 Ul Ul Ol Ul M o ^1 t 00 ~J ^1 to Ol on ] o to M eo o vo 00 on lb CO 00 lb on o CO o M ^3 vo J 0J

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~J to -J O on 00 M cn on CO 00 vo M M 00 oo lb to to 1 o cn vo oo ! 00 VD lb lb ] M 1 on ] 00 M M ] to M ] lb

414 ALA 0 22.84 35..56 9,.93 28..82

415 PHE N 22 .77 37. .20 11, .47 28. .78

415 PHE CA 24. .13 37. .65 11, .21 28. .81

415 PHE CB 24. .12 38. .84 10. .24 28. .31

415 PHE CG 23. .23 39. .98 10. .66 28. .06

415 PHE CDI 21. .84 39. .90 10. .50 28. .25

415 PHE CD2 23. .77 41. .14 11. .23 28. .36

415 PHE CEl 21. .01 40. .95 10. .88 27. .88

415 PHE CE2 22. .95 42. .20 11, .62 27. .87

415 PHE CZ 21. .56 42. .11 11, .45 28. .71

415 PHE C 24. .73 38. .05 12, .55 29, .14

415 PHE 0 24, .08 37. .89 13 , .59 28. .24

416 CYS N 25, .97 38. .52 12, .53 30. .08

416 CYS CA 26, .62 38. .98 13, .76 30. .60

416 CYS CB 27, .49 37. .87 14. .34 31, .72

416 CYS SG 28, .86 37. .32 13. .32 31, .33

416 CYS C 27, .46 40. .22 13, .44 30, .56

416 CYS 0 27, .64 40. .56 12, .27 29, .82

417 ARG N 27 .95 40. .92 14, .46 30, .13

417 ARG CA 28, .76 42. .12 14, .22 30, .42

417 ARG CB 29 .21 42. .76 15, .53 30, .02

417 ARG CG 28 .10 43. .27 16, .41 31, .32

417 ARG CD 28 .71 44. .03 17, .59 31, .16

417 ARG NE 27 .77 44. .16 18, .68 32. .06

417 ARG CZ 28 .04 44. .79 19, .82 32, .22

417 ARG NHl 29 .23 45. .36 20, .02 32, .57

417 ARG NH2 27 .11 44. .86 20, .76 32, .73

417 ARG C 30 .00 41. .83 13, .40 30, .47

417 ARG 0 30 .41 42. .63 12, .56 30, .36

418 ARG N 30 .63 40, .70 13, .68 30, .83

418 ARG CA 31 .83 40, .31 12, .95 31, .28

418 ARG CB 32 .33 38. .94 13, .42 31, .56

418 ARG CG 33 .22 38. .99 14, .66 31, .55

418 ARG CD 33 .89 37. .64 14, .91 31, .51

418 ARG NE 32 .93 36. .55 15, .04 30, .59

418 ARG CZ 32 .66 35, .66 14, .09 30, .52

418 ARG NHl 33 .29 35, .71 12 .93 29, .91

418 ARG NH2 31 .75 34, .72 14 .31 29. .82

418 ARG C 31 .58 40, .28 11 .45 30 .60

418 ARG 0 32 .45 40, .64 10 .67 30 .61

419 TRP N 30 .38 39, .86 11 .05 30, .82

419 TRP CA 30 .05 39, .79 9 .63 30, .15 419 TRP CB 28.86 38,.86 9,.41 29,.81

419 TRP CG 29. .18 37, .41 9, .65 29. .66

419 TRP CD2 28. .27 36, .30 9, .55 29. .69

419 TRP CE2 29. .00 35, .13 9. .88 29. .73

419 TRP CE3 26. .91 36. .18 9. .20 30. .39

419 TRP CDI 30. .38 36. .88 10, .04 29, .64

419 TRP NEl 30. .28 35, .52 10, .18 29. .70

419 TRP CZ2 28. .41 33. .87 9, .89 29. .92

419 TRP CZ3 26, .34 34. .92 9. .20 30. .51

419 TRP CH2 27, .09 33. .78 9. .54 30. .98

419 TRP C 29 .78 41 .17 9 .04 30 .21

419 TRP 0 29 .77 41 .34 7. .82 30 .44

420 LEU N 29 .55 42 .15 9. .91 30 .77

420 LEU CA 29 .34 43 .51 9. .48 31. .08

420 LEU CB 28 .54 44 .28 10. .52 30, .62

420 LEU CG 27 .04 43 .95 10, .52 30. .69

420 LEU CDI 26 .34 44 .76 11, .61 31 .26

420 LEU CD2 26 .44 44 .26 9, .14 30, .78

420 LEU C 30 .74 44 .12 9, .29 31 .19

420 LEU 0 31 .01 44 .76 8. .27 31 .10

421 ASP N 31 .62 43 .91 10, .26 31 .86

421 ASP CA 32 .99 44 .44 10, .17 32 .85

421 ASP CB 33 .88 43. .96 11, .34 33, .17

421 ASP CG 33 .32 44. .32 12, .70 33, .81

421 ASP ODl 32 .71 45. .39 12, .84 34, .79

421 ASP OD2 33 .53 43. .52 13, .64 34, .90

421 ASP C 33 .61 43, .91 8, .88 33, .71

421 ASP 0 34 .20 44, .66 8, .10 33 , .75

422 ARG N 33 .46 42, .60 8, .67 33, .70

422 ARG CA 34 .00 41, .93 7, .50 34, .39

422 ARG CB 33 .56 40, .47 7, .52 34, .03

422 ARG CG 33 .98 39, .65 6, .33 34, .95

422 ARG CD 33 .55 38, .21 6, .56 34, .67

422 ARG NE 33 .76 37, .38 5, .38 35, .68

422 ARG CZ 32 .96 37, .37 4, .32 35. .63

422 ARG NHl 31 .88 38, .15 4. .29 36, .28

422 ARG NH2 33 .24 36, .59 3, .30 36, .38

422 ARG C 33 .56 42, .58 6, .18 34, .52

422 ARG 0 34 .30 42, .54 5, .20 34, .19

423 LEU N 32, .38 43, .17 6. .17 34, .69

423 LEU CA 31, .88 43, .84 4, .97 34, .82

423 LEU CB 30 .34 43 .85 4 .96 34 .55 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb to t to CO CO CO IO IO to CO to CO to t CO to CO CO CO CO CO CO CO CO CO CO CO CO eo CO to CO to CO CO CO CO IO CO to to CO

00 00 00 00 CO CO CO CO CO ^1 ] _^) -o -J -J O ^3 -J cn 01 Ol Ol 01 Ol on on on on on on ui Ul ui lb lb lb lb OJ OJ 00 00 oo

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Ki Ki Ki Ki Kj Ki Ki Ki Ki Ki Kj Ki rs rs rs rs rs rs P P P P P P P P P P P P P i Ki Ki rs rs rs rs rs

33 33 33 33 33 33 33 33 33 cn CO cn cn cn CO CO CO cn 33 33 33 33 33 33 G G G G G G G G G Ki K G G G G G

Ω Ω Ω Ω Ω Ω Ω Ω 3 o Ω 3 Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω 2 Ω Ω O Ω Ω Ω Ω Ω 2 O Ω Ω 2 Ω Ω Ω Ω Ω

LS LS J LS d 63 03 ts LS CJ 63 03 63 03 S ES Cl 63 03 to to M M > > E CO M > > J CJ 63 eo M

to oo to CO eo to CO CO CO CO CO OJ 00 00 00 00 00 UJ oo Ul Ul OJ oo oo 00 oo eo eo CO eo eo 00 00 Ul 00 00 oo 00 00 Ul CO CO

VD o vo 00 _^! CO -J -J CO 00 00 OJ 00 eo M o o M o M Ul OJ eo M co M CO co CO co vo o M Ul CO oo 00 eo CO o 00 vo on M 0J to on o eo M lb M oo oo eo lb 00 on o M oo M lb lb o on eo cn ^3 O on CO on vo 00 Ul vo ~j eo o lb o M 01

CO o 0J vo to oo co O 00 O eo vo on 00 Ol vo on lb on O UJ on lb o oo 00 00 vo lb o CO VD CO 00 ] CO CO 00 M 00 ] vo to

-i lb lb lb lb lb lb lb ui on on on Ul on on on on on Ul on on on Ul on on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on ] CO on ^3 CO VD M M 00 to cn on cn on lb 00 to CO M CO M o o oo co VD vo VO -j o oo ] vo oo o on on on M CO CO

Ul 00 OJ 00 00 01 03 O lb on ^3 lb lb M o lb o o oo -J CO eo 01 to M VD O vo o -j vo on Ol eo o o Ol vo to vo on lb

VD ! vo to lb on O O 00 M M en cn CO 00 ui VD cn 00 -J ui ui CO M M on 00 vo M oo ^1 vo _^) CO cn CO CO 00 01 -J o vo

M M M M M M M M M M M M M M M M M M M M M M oo CO M 00 00 to M eo 00 ro CO o M CO oo CO Ul to o M vo O o VD VD VD lb cn 01 cn co ! 1 cn 01 on on 00 lb Ul lb lb lb lb vo VD OO 00 00 ^1 M M ] M o M M Ul M O on 00 Ol Ol CO Ul CO M 00 1 O CO o 00 o Ol on ι 00 vo CO Ul oo o

VD CO to on VO ] O ^1 M vo 00 M 00 VD lb 1 ] OJ Ol lb eo CO CO 01 M on on o co lb VD CO ^3 Ul lb vo CO M on vo oo 01 oo 00 oo oo 00 oo 0J 00 00 oo 00 00 oo 00 00 00 UJ 00 oo 00 00 oo oo 00 00 oo oo 00 OJ 0J 00 oo 00 OJ oo 00 00 00 00 J Ul Ul

Ol cn on on on on Ul cn cn 00 ] vo vo VO 00 ~J ^1 ~J ] O cn cn cn cn cn on Ol 01 cn cn on on ui on on on on on lb lb lb lb on o VD CO 01 00 VD lb 00 CO lb CO o o on ^J M M lb Ul 01 ^j on M o ~J 01 on oo CO vo ^ ui lb 00 CO M M CO t Ul o

^1 o 00 vo M lb CO O ~J on CO lb co 00 M o 1 cn M VD oo Ol -J lb cn o CO o ^J o _^> on M -J on 00 o cn Ul UJ to !

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb φ. lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

Ul Ul Ul Ul Ul Ul Ul UJ OJ 00 oo 00 oo Ul oo oo oo oo 00 OJ 00 oo OJ OJ OJ OJ Ul Ul Ul Ul Ul eo CO eo CO CO CO CO CO CO CO to lb Ul Ul Ul Ul Ul Ul Ul OO oo to to t to eo to to to M M M M M o o o o O o o o vo vo VO vo vo vo vo vo co CO 00

> P P P P P P P P P P P P P P P P P > > > > ES ES ES ES ES ES ES ES P P P P P P P P 1-3 hj cn κ| Ki Ki Ki Ki Ki Ki ts rs rs rs rs rs IS rs P P P P P IS rs rs rs rs ts rs rs rs rs rs rs ES ES LS LS Ki KJ Ki

3 cn cn cn cn cn cn CO CO ω G G G G G G G G > > > > > H. H H H H H H H. G G G G G G G G 33 33 33

3 o Ω 3 Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω 2 Ω Ω Ω cn Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 O Ω O

IS ts α 63 no > o CJ 63 00

I rs 63 03 > Ω 03 > EC O M > 03 > α α O

IO M

M M M M M to M to IO CO M IO eo to CO CO CO eo eo to co CO eo CO CO to CO CO CO to CO CO CO eo O CO CO eo to to to 00

VO ] co vo vo o vo o o M vo o Ul M CO 0J M eo o M to eo oo M CO Ul CO oo lb 00 Ul lb on 1 vo co 1 on Ol ui 01 O o CO VD Ol ~J 01 VD 00 to M oo oo VD VD cn o oo 00 00 on VD CO M on ^J CO lb o M 00 o o o 01 M 00 eo to vo M 00 OO oo ] lb to on lb 00 -0 lb lb CO on to vo cn M Ol cn lb 01 00 CO J on on cn ] 00 lb M M M o CO vo lb Ul vo on M o Ul on on Ul on on on on on lb lb lb lb lb lb lb lb lb on Ul Ul Ul Ul on on Ul Ul on on on on Ul on on lb lb lb Ul on on on Ul lb

M o o o to M o o VD VD oo 00 on Ul n -J CO o o M eo to CO CO to ui lb on lb OJ to o o 1 vo VD o o o O o ui oo o 00 vo M oo vo 01 ] Ol o ] Ul -J oo ^1 -J o 00 o 00 00 Ol -J CO lb vo lb on o CO 00 o CO lb CO 00 CO on 00 01 01 o o 01 vo 00 VD o on ui o vo ] lb o M ] M lb lb o o on lb 01 M Ul ^J ] CO 00 vo ^1 -J 01 CO oo M M o o o M

M M M CO to to M M M M M M M M M M M M M M M M M M CO M M M M M M M M M M M M M M M M cn ] ] 00 to o o 00 l 01 ui Ul ui 00 on lb lb lb 00 00 eo 00 lb Ol Ul o CO -J Ol cn on ^1 01 _^) CO ^ ^1 Ol Ul 00 lb lb oo 1 to o M vo VD ^1 l on Ul 01 lb VD M CO lb M on O o 00 lb o ~J o vo 00 CO o Ul M 1 ^J o ^1 on 00 M vo O O o o lb M OO oo vo vo to o 00 o CO to oo on cn lb CO vo on VD O CO M o CO on to ~J o M o VD oo o oo VD Ol O O CO

00 00 00 00 OO 00 00 00 00 oo oo oo oo 00 00 OJ 00 00 00 OJ 0J 00 00 00 00 00 00 00 oo oo 00 00 00 00 00 00 oo 00 00 00 00 00

Ul 00 00 ! 01 on lb 00 00 00 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb vo 03 cn on ui lb lb ui O cn on on lb Ul on ui en o 00 on o o 00 on cn _^) lb J to CO o M M CO 00 cn vo -3 CO on 00 CO eo ^1 CO VD CO ! lb eo lb lb 00 cn 00 1 ^•^3 Ol CO

CO o l to OO vo o M CO vo lb CO 00 VD lb o M M φ. 00 lb lb 00 oo ] o ^J oo -J eo to ^1 o o CO o CO vo lb to M O

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb OO OJ 00 OJ 00 00 oo 00 Ul Ul UJ Ul Ul UJ Ul Ul Ul Ul 00 oo Ul Ul Ul Ul Ul Ul Ul oo OJ J OJ OJ OJ OJ OJ Ul Ul Ul Ul Ul Ul

O vo VO vo VO CO 00 00 00 00 oo 00 00 -J -~3 ^3 J 1 1 ~J 1 cn cn on o Ol 01 on on on on on ui on Ul lb lb lb lb lb lb lb

H Ω Ω Ω Ω P P P P P P P P > > > > > > > Ω Ω Ω Ω Ω Ω P P P P P P P P > > > > P P P P P LS LS LS LS ts ts ES LS cn m co co cn in in n Ki Kj Ki Ki Ki LS LS LS LS ES IS ES ES in ω > cn cn > m ω > m ts Ki G G G G G G G G TJ TJ TJ TJ TJ TJ TJ TJ cn cn cn CO ω CO G G G G G G G G 2 2 2 2 2 2 2

3 O Ω Ω 3 O Ω

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M to M M M co O M M 00 OO CO to OO M 00 01 Ul Ul lb lb Ul lb Ul CO -J cn Ol Ul cn ~J VD oo ] cn -j on on vo CO 00 00 ^J on M 01 00 O Ul on cn 00 O CO Ul 00 VD o o cn oo 1 to 00 O M cn 00 to CO O M O OO eo oo co on -j vo lb ui ! CO oo vo lb VO Ol 00 M oo CO vo on 00 o 01 OJ oo lb co O on Ol CO lb M on 00 cn 00 M lb Ol o ] M lb ] on Ol Ul Ul ui o lb lb lb lb lb lb lb lb on on ui ui on lb on lb ui Ul Ul on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on on on ui Ul Ul ui ui

Ol lb on Ol ] CO 00 to to to o o VO o VD M o M M vo co -J ^1 ui Ol ^1 -J »J CO VO -J oo 00 vo o o o Ul lb ib oo M

OO Ol ~J lb 01 ^] ^3 cn to O ui o vo o VD co M O M -J vo M lb 01 O 00 ^J M O VD 00 M o o CO vo M lb to o vo o Ul M M VD Ol 00 CO on lb lb VD on o M on ] lb to lb 00 Ul 00 vo CO O oo o CO -J 00 lb -J o oi 1 M M CO o oo lb

M M M M M M M M M M M M M M M eo CO to M M M M M M M M M M M M M M M M M M M M M M M M

00 00 lb on on lb on oo to OO 00 on oi -J 1 o o O 00 co ^3 O ^J -O ] Ol Ul lb lb O o M CO 00 lb on on lb Ol On lb on oo CO M lb on 00 O lb lb Ol vo CO to vo on o vo O VD ui oo on lb CO 00 ~J ~J lb on on 00 lb 1 01 00 00 M Ol Ol lb ^3 1 vo ^1 -J ] CO 1 on ] O lb M on on CO ui CO M 00 lb O on ~] 00 M CO vo OJ to oo Ol o oo -J eo o lb CO 01 CO 00 on ]

00 OO OO oo oo 00 oo Ul OO OO oo oo oo 00 00 00 OJ oo 00 oo oo oo 00 00 oo oo 00 oo 00 00 Ul OJ oo 00 oo oo oo OO 00 00 Ul 0J

00 lb 00 lb on Ol on on Ul lb Ul on on on on CO CO ~J Ol ui on lb lb on on lb lb oo lb Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb 00 VD -J Ul oo lb oo O 00 CO lb co vo 1 M O CO M ui M O vo O to 01 ~J VD 00 00 ~ CO 00 on CO on ui ui on ib M eo to O 01 CO Ul CO M O to lb ~J O to eo on oo ~J lb Ul o O lb 01 oo 00 to M CO o vo on o --J vo -J lb ui M o oo 01 vo

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb £ lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

Ul lb lb lb lb lb lb lb lb lb lb lb lb OO 00 00 OJ 00 oo oo CO CO CO CO CO CO to to M M M M M M M o O O O O O O

13 H H H ι-3 ι-3 H H H >-3 H ι-3 TJ TJ TJ TJ TJ TJ TJ > > > < < < < < < < H

33 Ki Ki Ki Ki Ki Ki Ki Ki Ki Ki Ki 33 33 33 33 33 33 33 CO in ω m CO cn cn cn > > > > > > P P P P P P P

O 33 33 33 33 33 33 33 33 33 33 33 33 O υ υ υ υ O υ TJ TJ TJ TJ TJ TJ TJ T) P P P P P P P L LSS ES ES ES ES IS IS

3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 o Ω o Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω

EC CS ts LS 63 00 > 63 03 > α CJ CJ 63 03 63 63 03 O Ω Ω 03 >

CO σ CO M α M CO M CO M > M M co

CO eo CO M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M o M o lb on Ul ] Ol l CO vo vo VO -J 00 ~J VO CO cn ~J ^1 1 CO t OO lb Ul on on Ul 1 00 ^1 Ul lb lb lb 00 CO Λ-. oo 00

Ol oo 1 lb on VD M Ol vo M ui Ul Ul on on -J O ] CO ib co o ^1 ^1 00 ^1 ^1 CO 00 on ui OJ CO CO CO o o M cn CO cn o

Ol o Ol oo ^1 M cn ] CO VO M lb OO 00 ^3 M -o lb 00 cn M vo Ul VD CO lb lb CO M -J -J M VD Ol ! to M vo o o Ul o oo 00 oo 00 00 OO oo oo 00 00 00 00 00 00 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

^j cn ^3 Ol Ol on on ] -J on on ^3 CO VD vo CO CO M CO M o M O M o o M to lb 00 lb Ul lb 00 lb 00 lb vo ~3 cn cn on

00 CO OO lb lb ui on to to oo lb lb CO 00 01 on M o on Ul lb M Ul o vo lb Ol M to lb oo lb oo 00 oo 01 cn M vo to CO ~J

O 00 lb Ol oo 00 o vo 01 l M vo to VD ι o 00 on CO o Ol lb Ol CO M -j 00 lb Ul to lb cn lb M M lb oo lb to lb ui cn

CO CO eo M M M M M M M M CO M CO M CO M M M M M M M M M M M M M M M M M M M M M M M M M

CO o o 01 ! co co 01 ^] CO 00 o VD o vo o VO 00 vo CO Ol ] on -J cn on 01 Ul ui Ul M lb oo 00 00 M to o o vo M to eo on vo lb O o n Ul CO eo VD o lb eo Ol Ul VD vo co lb lb M lb M lb o -O 00 vo o co o 00 cn eo Ul 00 M CO vo to M

M Ul Ol M CO on cn VD M on 00 ^ -J o M M 00 cn lb CO ] VO Ul CO M 0J O lb o Ol cn CO cn o vo ^1 o ^J ^J 00 CO o eo 00 oo OJ 00 oo oo 00 O oo 00 oo oo 00 oo oo OJ 00 oo OJ Ul Ul 0J 0J 00 oo 00 00 00 00 00 Ul 00 00 00 00 00 OJ J 00 oo OJ

VD o o 0J to M M to M M M M o o M M O eo M M M M 0J to to co CO to to M M CO CO CO CO to CO lb oo to eo eo cn lb 01 O M vo oo o M CO o on ~0 CO M 01 vo eo vo M ] 01 0J VD cn oo M M ui -J CO o M oo M 01 M on cn cn -J -0

Ol ^J on CO CO on -o CO to lb on lb Ol on VD o O 00 M CO eo IO o ui cn ui Ul O oo on oo cn M M VD to 00 00 00 CO IO M

m in on on on on on o o o o cn cn cn cn on on on on on

H H H H H H > > > Ω Ω Ω Ω Ω Ω P P P P P P P P TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ P P P P P P P cn CO in CO O cn cn cn Ki Ki Ki Ki Ki Ki rs ts rs ES ES ES rs rs 33 33 33 33 33 33 33 33 33 33 33 33 33 ES ts rs LS LS t ES TJ TJ TJ TJ TJ TJ TJ TJ cn cn cn cn cn cn G G G G G G G G o O O O O O O O O O O O O

Ω

to to eo eo eo eo eo eo eo eo eo to co to to eo eo eo eo eo eo eo eo to oo oo eo to oo on to oo eo vo o eo on on oo eo M eo ! vo o eo on on o on on on o to o -o cn M oo ui o cn vo oo oo M o o on vo o o o o o o co M oo eo eo oo eo to to oo oo oo oo oo oo oo oo oo o vo o vo o o ! vo vo M M M o on cn on on co vo vo vo eo cn -o cn on to cn oo eo on o on M on oo vo M oo on on on on ι o on eo cn oo oo oo oo oo oo oo to to eo to to eo eo to eo to eo eo to to eo eo on oo on oo co o on cn cn on ui o vo on oo to o vo ui to o oo to o co on to on oo eo vo oo on ι on on cn on o cn vo vo o o vo to oo oo oo oo oo oo oo oo oo oo oo oo oo on on on on on on cn o co on ui o o t o eo M o eo M M o o o o M vo o vo o o oo vo oo

M vo co on o M cn to o on M co on o

450 ILE 0 25..68 29..12 36..03 35..25

451 LYS N 25, .98 31. .16 36. .93 35, .87

451 LYS CA 27, .44 31. .07 36. .94 36, .15

451 LYS CB 28, .05 32. .30 37. .61 36, .68

451 LYS CG 29, .55 32. .15 37. .85 37, .56

451 LYS CD 30, .12 33. .27 38. .71 37, .88

451 LYS CE 31, .63 33. .10 38. .85 38, .03

451 LYS NZ 31. .98 31. .71 39. .25 38, .47

451 LYS C 27. .88 29. .83 37. .69 36, .21

451 LYS 0 27. .35 29. .52 38, .76 36, .50

452 GLY N 28, .85 29. .11 37. .13 36. .37

452 GLY CA 29. .33 27. .90 37. .78 35. .97

452 GLY C 28. .79 26. .61 37. .19 35. .60

452 GLY 0 29, .39 25. .54 37. .38 35. .41

453 SER N 27, .67 26. .69 36. .48 35. .21

453 SER CA 27, .05 25. .52 35. .88 34. .31

453 SER CB 25, .54 25. .74 35. .72 35, .08

453 SER OG 25, .26 26. .83 34. .87 35, .30

453 SER C 27, .64 25. .15 34. .53 34. .04

453 SER 0 28. .35 25. .93 33. .90 33. .65

454 TYR N 27. .35 23. .93 34, .10 33, .55

454 TYR CA 27. .84 23. .40 32, .84 33, .24

454 TYR CB 28. .71 22. .17 33. .10 33, .32

454 TYR CG 29. .91 22. .47 33. .98 34, .31

454 TYR CDI 30 .98 23. .24 33. .52 34, .30

454 TYR CEl 32 .06 23. .54 34. .35 35, .10

454 TYR CD2 29 .95 22. .01 35, .30 34, .28

454 TYR CE2 31 .01 22. .31 36, .14 35, .34

454 TYR CZ 32 .06 23 .08 35, .66 35. .27

454 TYR OH 33 .13 23 .35 36, .49 36 .27

454 TYR C 26 .66 23. .03 31, .96 32 .72

454 TYR 0 25 .68 22 .44 32, .44 33 .02

455 THR N 26 .73 23 .40 30, .68 32 .58

455 THR CA 25 .67 23 .09 29, .74 32 .25

455 THR CB 24 .85 24 .35 29, .34 32 .75

455 THR OGl 25 .70 25 .27 28 .64 32 .00

455 THR CG2 24 .28 25 .02 30 .58 32 .06

455 THR C 26 .24 22 .47 28 .47 32 .64

455 THR 0 27 .32 22 .85 28 .01 31 .66

456 ALA N 25 .50 21 .51 27 .91 31 .95

456 ALA CA 25 .88 20 .81 26 .69 31 .98

456 ALA CB 26 .28 19 .39 27, .02 31, .85 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb cn Ol 01 01 Ol Ol 01 01 01 01 on on ui Ul on on on Ul Ul on Ul Ul Ul Ul Ul Ul Ul on ui Ul ui on ui ui Ul on ui ui ui ui ui ui

M o o o o O O O O O O vo vo vo vo vo VD vo vo vo CO 00 co oo oo oo oo oo oo CO CO -j ^J ^1 ^1 -j ~o ~j -j -j oi oi

1-3 EC EC EC EC EC EC EC EC EC EC Ω Ω Ω Ω Ω Ω Ω Ω Ω T) TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ Ω Ω Ω Ω Ω Ω Ω Ω Ω > >

EC H H M H PH H H H H H P P P P P P P P P EC EC EC EC EC EC EC EC EC EC EC P P P P P P P P P P P 33 cn cn CO CO cn CO CO CO cn cn G G G G G G G G G IS LS IS LS rs LS LS ts LS LS LS 3 3 3 3 3 3 3 3 3 > >

3 O Ω Ω 3 O Ω

M M M eo co to CO CO CO CO eo CO CO M CO to CO to eo IO to t to IO CO CO CO CO CO CO eo to eo eo to CO to co co eo CO co

VD CO vo Ul oo to CO M o o o CO CO M o o M M IO M to J Ol ~J on on lb Ul 00 UJ on lb CO lb Ul to Ul lb on 0J lb

O o o CO on lb o on M eo Ul on on CO o o CO to 00 lb M CO on on to to vo vo on lb Ul ui OJ M Ul CO VD CO O o on ]

Ol lb to on o cn o o oo oo on o o 00 CO eo M OO lb lb 1b lb on on lb Ul 00 Ul on o lb Ul CO vo UJ o M Ul on O Ol 00 to

U\ o M M M M M M M M M M M M M IO CO eo to eo M M M M M M M M M M M M M M M CO eo CO CO CO to eo CO eo

CO co oo lb on on lb Ul cn ^J 00 00 CO oo oo eo M o VD vo oo oo 01 01 cn 01 Ol Ol Ol CO VD vo VD lb lb Ul to eo o o o o on ] lb J o oo ! on OJ CO lb ^1 00 lb -o vo lb vo 00 o oo ] o co o lb 00 Ul VD lb to ι 00 o O on CO M ] ι VD co cn cn on oo oo on eo Ul Ol vo Ul 00 lb -J o vo CO M CO o on oo M eo Ol vo 00 Ul ] cn -J M on eo CO eo oo oo lb J o CO

M M M M M M M M M M M M M M M M M M M M to M CO CO CO eo to CO eo eo CO eo eo eo to CO to to to to CO eo eo lb OJ lb OJ oo lb lb lb lb ui on Ul cn Ol Ol cn ! ^1 co o VD M eo o eo o M o o M M CO o o o M eo 0J lb cn on o O OJ lb OO o VD o o o 00 oo VO lb 1 on oo oo oo eo o on VD 00 on lb M M O UJ on ] M o ^J -O cn 00 OO lb o cn on Ul ^J lb lb vo o Ul oo 00 00 vo lb M ] eo on eo on 00 on lo CO -J ^1 ui Ol o 1 lb Ul on OO Ul Ol oi o Ul lb O vo vo oo OJ OJ oo oo 00 oo 00 00 00 00 oo 00 oo UJ oo oo oo oo oo Ul Ul 00 00 0J oo Ul 0J 00 Ul oo 00 00 Ui Ul 00 00 J OJ 0J oo oo

00 to to to oo 00 CO CO CO to M M M eo CO M eo M M M M CO M eo to M eo M eo to to CO CO o o M M M eo M M eo ι oo cn ^1 eo M vo Ol lb lb on o lb lb CO CO 01 Ul on lb 01 M ] lb OJ vo o vo eo M cn vo Ol o VD lb ^J 00 00 VO CO on vo ^1 00 cn o on CO 00 CO vo lb lb Ol on on Ol oo vo CO CO VD cn *. co oo on ^1 00 vo Ul eo lb CO lb lb Ol VO eo o lb o on

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb cn Ol 01 01 Ol Ol 01 01 Ol 01 01 Ol 01 01 cn cn Ol on 01 Ol 01 01 01 Ol Ol Ol Ol Ol Ol 01 Ol Ol Ol cn cn on on on Ul Ul Ul Ul Ul Ul on on Ul lb lb lb lb lb lb lb lb OJ OJ oo oo 00 OJ oo OO to to to CO to eo eo

TJ > > > > > > > > > > > P P P P P P P P P P P P P P P P H H H H H H H 33 33 33 33 33 33 33 33 33 33 33 33 ts ts IS ES ts ES ES LS rs rs ES LS LS LS ES LS P P P P P P P P EC EC EC EC EC EC O Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω G G G G G G G G G σ G G G G G G LS rs ES ES ES. LS LS LS 33 33 33 33 33 33

3 O Ω

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

~J J ^J to lb oo to CO M O VO vo CO VD -J CO 00 vo o CO M lb on lb OJ oo lb 00 lb CO 00 Ul lb on en CO 1 -J oo co 1

CO ^J vo vo CO eo on ] Ul Ui IO cn vo vo CO -J 03 on Ul -J M VD ~J lb VD ~J M M •J 00 ] on 1 on OO o o oo M CO oo VO to oo CO lb 00 on oo 00 -J Ol O to Ul on -J o VD CO Ul lb to lb on t VO M M o M M lb vo M 1 cn to CO 00 M M CO M to

Ul

^1—1 M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M CO t M M

CO M CO O o o to to OO CO Ul OJ on lb lb Ol on on ui on lb on 00 cn 01 01 Ol on ^1 Ol on Ol Ul Ul cn o 01 ] O M vo vo cn VO ^1 o Ol vo o VO 00 VO on VO lb CO Ul on vo o CO M oo Ul lb CO o eo o VD CO Ol lb O Ul lb Ol VO -J CO to VO o vo vo o 1 CO o o o OO lb to cn o CO ^3 o M lb cn VD 00 lb lb co lb vo vo M 00 en o M vo vo on eo on 1 VO M VD CO M M M M M M M M M M M M

CO on lb o CO M M eo OO Ul lb on on cn o o VD CO ι ^1 ^1 _^) on 00 ui on -J CO vo vo CO M CO M o o o o vo O o M vo O o on l on O ^3 O Ul O lb CO eo Ul ~J vo lb Ul lb 00 to lb vo 00 ] M M to M VD VO eo eo M ^ M Ol CO ^J M eo

^1 on ~J 00 CO to CO 00 ~J lb oo Ul lb o ~J CO o VD vo on o vo VO J to M on 01 on lb 1 on 01 -J lb M oi Ol CO on VD lb lb lb lb lb lb lb lb lb lb lb lb lb lb OJ oo oo 00 00 00 OO 00 oo oo oo OJ 00 00 00 00 OO 00 Ul 00 oo OO 0J OO oo 00 00 oo eo M M t to CO to M M M M O O o VD vo oo VD VD o CO 00 ^1 ^1 ^J -o 00 -o Ol o on O 01 en cn on lb lb lb lb lb lb

M on cn l Ol ^J M on Ul M CO -J O M on eo vo 00 ui M VD Ul en cn Ol 00 lb Ul VD o oo 00 Ol en lb ] on VD to 00 on CO

O lb lb co Ol VD O 01 M ~0 ui O cn o on lb vo to oo vo CO vo oo on -J lb o on 01 o M lb o oo ~J CO ι VD to on CO 01

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

^ -J ] 1 ^1 ^1 -O ^3 ! ] 1 -J ] ] 01 Ol Ol Ol on Ol Ol Ol Ol 01 Ol 01 cn on 01 Ol 01 01 on on 01 Ol 01 Ol Ol Ol Ol on

M M M M M o o o o O O O O O vo vo vo VD vo vo VD vo vo CO CO CO CO CO 00 O ^3 ^J ι ι ^1 ] 01 01 Ol Ol Ol on

Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P Ω Ω Ω Ω Ω Ω >-3 1-3 ¹-3 TJ TJ TJ TJ TJ TJ P P P P P P P P P Ki Ki Ki Ki Ki Ki Ki Kj Ki Ki Ki Ki Ki Ki EC EC EC EC EC EC EC 33 33 33 33 33 33

P P P P P G G G G G G G G G cn cn cn cn CO cn cn CΛ cn cn cn cn cn cn cn 33 33 33 33 33 33 33 O O O O O O

Ω Ω Ω Ω 2 O Ω O O Ω Ω Ω Ω 2 O Ω 2 Ω Ω Ω Ω Ω 2 O Ω ω Ω Ω 2 O Ω Ω O Ω Ω 2 O Ω Ω Ω Ω Ω Ω Ω 03 ES LS Ω 00 > t ts D Ω 03 eo M > to M α > Ω no > Ω Ω no Ω 03 to M > > α

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Ui CO o eo vo eo lb CO CO o ib O ib ro 00 01 VD oo o lb lb vo eo cn cn o vo ^1 CO lb lb oo vo on o oo vo vo Ol o vo ib ib Ol VD ib CO ui eo vo on oi σi Ol oo eo M o Ol vo 00 on ^1 CO M CO CO oo lb to

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TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ Ki Ki 63 63 63 63 63 63 63 63 63 63 63 33 33 33 33 33 33 P P P P P P P P P

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M CO M rs CJ 63 03 > 63 03 > 63 63 03 CO > M

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UJ M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M Ul CO M O CO vo vo O vo oo vo o o o M CO eo CO o M o o o o M to lb on on ^1 en Ul on on cn on lb lb CO 00

CO vo on vo 00 cn on CO on on M oo M ^3 VD 00 01 on oo to Ol OO cn lb cn vo o lb to eo on 00 CO 00 lb on 00 M VD lb vo lb lb eo lb Ul oo lb vo oo on VD Ol lb on VO O M lb o lb CO on co on M M VO 00 ~3 lb CO CO o M J Ul Ol VO cn o Ol

M M M M M M M M M M M M M M M M M M M M M M M M M M eo Ul lb CO oo CO oo O o o M o M o O O oo VO lb on lb 00 CO M o o VD o vo M O vo 00 on ~J lb ^J 01 on ^1 CO CO vo 00 M CO lb cn CO VD o lb CO 01 Ol CO CO VO Ol CO OO M ^3 CO on on CO lb CO O O M cn Ol OJ VD M M VD VD co Ul M on o M vo vo 1 o 1 CO cn vo O Ul o M CO VD σ cn oo lb on ^3 CO on CO lb CO CO M CO cn M ^1 Ul on oo on

Ul Ul 00 oo OO Ul lb lb oo oo 00 00 oo 00 OO UJ 00 Ul 00 oo 00 00 OO Ul 0J 00 OO 00 00 OO 00 Ul oo 00 0J 0J Ul oo Ul oo 00 oo on on Ul Ol J ^1 M O vo oo ~3 ^3 on Ol on cn on Ol on Ol lb lb lb Ul on cn 01 Ol 1 1 01 1 01 -0 ^ CO CO

VD cn 01 on UJ M o Ol cn ^1 00 Ol o on Ul o 00 M on M CO 00 CO CO M lb Ol OJ o M M 00 Ul 00 CO 01 M 00 VD CO VD Ul o cn CO o CO 00 vo O oo o CO on oo 00 en Ul M o vo Ul o Ol on CO M oo on o lb lb 00 CO lb VD 01 M lb

477 ASP ODl 29..13 13..43 12..54 35..59

477 ASP OD2 30. .64 15. .01 12. .77 35. .58

477 ASP C 29. .36 11. .67 15. .16 34. .79

477 ASP O 29. .62 11. .47 16. .35 35, .79

478 TYR N 28. .14 12. .02 14. .75 34. .64

478 TYR CA 27. .02 12. .13 15. .68 34. .14

478 TYR CB 27. .26 13, .25 16. .73 34. .10

478 TYR CG 27. .18 14, .67 16. .19 34. .45

478 TYR CDI 28. .28 15, .26 15. .55 33. .81

478 TYR CEl 28. .20 16, .56 15. .04 33. .23

478 TYR CD2 26. .00 15, .42 16. .30 33. .99

478 TYR CE2 25. .92 16, .72 15. .78 33. .12

478 TYR CZ 27. .02 17, .27 15. .15 32. .96

478 TYR OH 26. .95 18, .55 14. .61 32. .90

478 TYR C 25. .73 12, .40 14. .93 34. .72

478 TYR O 25. .81 12, .76 13. .74 33. .01

478 TYR OT 24. .65 12, .27 15. .55 36. .40

602 HOH O 27 .58 37, .59 22. .32 29. .02

603 HOH O 28. .63 29. .86 10. .70 31, .06

604 HOH O 30 .14 38. .89 16. .28 31, .43

605 HOH O 25 .01 30 .93 16. .85 31. .40

606 HOH O 26 .77 27. .86 20, .82 31. .22

607 HOH O 23 .64 34. .89 7, .47 35. .16

608 HOH O 40 .75 19 .18 18, .16 37. .54

609 HOH O 14 .27 19 .94 20, .46 33, .95

610 HOH O 36 .91 20 .60 28, .67 27, .75

611 HOH O 22 .27 56 .33 3, .29 31, .88

612 HOH O 43 .41 25 .86 29, .68 32, .44

613 HOH O 24 .50 8 .08 34, .83 34, .68

614 HOH O 30 .09 32 .05 25, .96 35, .74

615 HOH O 16 .73 32 .85 9. .35 30, .54

616 HOH O 14 .09 35 .80 10, .19 37, .98

617 HOH 0 24 .17 48 .59 0 .01 40, .01

618 HOH 0 30 .70 27 .59 34 .46 32, .75

619 HOH 0 24 .37 26 .59 21 .25 24, .84

620 HOH 0 21 .26 40 .29 -2 .44 33, .90

621 HOH 0 29 .86 38 .42 22 .08 34, .64

622 HOH 0 35 .34 25 .33 32 .84 38, .56

623 HOH 0 37 .51 30 .42 28 .09 29. .14

624 HOH 0 41 .10 25 .20 31 .93 30. .60

625 HOH 0 19 .42 56 .43 18 .26 37. .23

626 HOH 0 13 .03 25 .34 3 .74 35. .51 627 HOH O 19..90 27..20 20..32 32,.83

628 HOH O 22. .84 46. .69 20 .14 45, .75

629 HOH O 31. .25 14. .80 10 .00 41, .79

630 HOH O 18. .21 9. .04 16 .95 38. .60

631 HOH O 5. .98 0. .00 0 .00 16. .95

632 HOH O 44. .94 23. .40 16 .80 32. .91

633 HOH O 24. .52 10. .87 17 .79 36. .68

634 HOH O 29. .69 39. .10 5 .97 31. .07

635 HOH O 28. .41 28. .27 8 .63 31. .60

636 HOH O 23. .93 33. .38 2 .19 37. .51

637 HOH O 27. .57 22. .92 38. .10 35. .31

638 HOH O 13. .97 37. .97 14, .20 30. .95

639 HOH O 38. .10 16. .99 21, .07 39. .03

640 HOH O 36. .92 13. .71 25, .24 47. .78

641 HOH O 10. .91 24. .08 5, .67 37. .95

642 HOH O 26. .04 13. .00 46. .08 37. .56

643 HOH O 33. .80 16. .52 23, .40 43. .61

644 HOH O 19. .48 30. .95 35, .11 43. .56

645 HOH O 6, .05 19. .11 26 .45 39, .44

646 HOH O 31. .72 15. .40 19 .36 45, .45

647 HOH O 34. .40 27, .77 -2 .81 43, .74

648 HOH O 4, .63 17, .72 1 .17 43, .60

649 HOH O 28. .11 11, .84 3 .20 41, .73

650 HOH 0 28, .92 23, .38 -2 .88 40, .58

651 HOH 0 41, .13 38, .80 19 .93 38, .26

652 HOH 0 2, .77 10, .16 5 .73 43, .03

653 HOH 0 29, .82 13, .45 5 .18 40. .79

654 HOH 0 18, .68 59, .60 3 .12 42. .39

655 HOH 0 6, .57 4 .15 2 .91 43. .46

656 HOH 0 36 .96 38, .20 27 .55 41 .22

657 HOH 0 27 .64 51 .10 8 .79 41 .53

658 HOH 0 0 .33 6 .09 5 .17 39 .73

659 HOH 0 13 .50 32 .84 11 .94 41 .33

660 HOH 0 19 .84 13 .66 -2 .85 45 .88

661 HOH 0 27 .77 54 .46 9 .98 46 .00

662 HOH 0 35 .84 42 .08 13 .55 40 .30

663 HOH 0 9 .84 28 .55 16 .11 45 .00

664 HOH 0 15 .99 36 .22 25 .04 41 .79

665 HOH 0 25 .57 53 .99 13 .39 37 .88

666 HOH 0 11 .08 53 .37 0 .59 40 .78

667 HOH 0 30 .80 32 .83 28 .67 39 .91

668 HOH 0 -4 .23 16 .57 22 .42 39, .21 669 HOH O 24..65 25..25 41..46 50..70

670 HOH O 30. .32 30, .20 35. .12 39. .08

671 HOH O 17. .59 8, .05 13. .91 44. .13

672 HOH O 44. .59 19, .15 24. .70 44. .14

673 HOH O 40. .92 16. .63 20. .64 43. .56

674 HOH O 39. .72 27. .23 7. .47 35. .34

675 HOH O 24. .72 55, .94 2. .61 41. .12

676 HOH O 30. .67 11. .22 26. .03 38. .76

677 HOH O 40. .16 26. .12 3. .64 44. .18

678 HOH O 43. .37 37, .02 23. .59 40, .93

679 HOH O 22. .04 27, .95 -4. .90 41. .09

680 HOH O 42. .36 36, .37 17. .61 38. .79

681 HOH O 35, .22 40, .18 10. .94 39. .33

682 HOH O 35, .91 29, .53 33. .07 43. .35

683 HOH O 29, .97 11, .74 35, .66 36. .84

684 HOH O 34, .22 47, .85 12, .09 37. .75

685 HOH O 12, .78 56. .04 11, .40 48. .49

686 HOH O 8, .66 22 .44 2. .88 43. .03

687 HOH O 9, .18 27 .99 4, .13 38. .71

688 HOH O 30, .27 12 .29 9, .01 43. .95

689 HOH O 7, .95 23 .84 5, .59 45, .09

690 HOH O 22, .53 14 .09 41, .76 42. .26

691 HOH O 16. .38 54 .57 18, .26 42. .55

692 HOH 0 7. .99 5 .52 6, .85 42, .17

693 HOH 0 38. .80 16 .88 7, .76 40, .29

694 HOH 0 13. .95 28 .96 22, .70 38, .26

695 HOH 0 2. .12 -1 .53 -0, .85 44, .90

696 HOH 0 21. .76 20 .04 38. .61 40, .75

697 HOH 0 39. .92 33 .78 28. .27 40, .37

698 HOH 0 17. .38 17 .58 38. .90 43, .72

699 HOH 0 36. .77 13 .13 2. .23 46, .01

700 HOH 0 8 .57 23 .56 8 .70 39, .14

701 HOH 0 24. .92 23 .82 -5 .62 45, .99

702 HOH 0 24. .28 37 .23 20 .90 29, .51

703 HOH 0 32 .23 39 .42 22 .36 29, .74

704 HOH 0 19 .28 32 .34 10 .21 33, .14

705 HOH 0 24 .39 29 .68 19 .25 34. .17

706 HOH 0 32 .31 42 .91 16 .00 29. .60

707 HOH 0 27 .11 53 .99 16 .40 35 .90

708 HOH 0 34 .48 15 .49 28 .23 33 .87

709 HOH 0 29 .19 36 .35 6 .38 33 .95

710 HOH 0 33 .38 27 .11 34 .34 37 .52 711 HOH O 26,.82 33..54 3..71 34..13

712 HOH O 16, .93 40, .49 0. .82 35, .44

713 HOH O 38, .16 35. .53 20. .97 31, .97

714 HOH O 4, .37 4. .68 3. .76 40, .47

715 HOH O 16, .53 27. .27 21. .69 34, .89

716 HOH O 12, .48 36. .80 11. .68 37, .70

717 HOH O 15. .77 35. .94 1. .29 39, .98

718 HOH O 30. .99 8. .15 41, .71 40, .14

719 HOH O 26, .22 44. .90 0, .73 40, .15

720 HOH O 16. .90 32. .97 35. .69 42, .23

721 HOH O 14. .85 21. .64 33. .78 39. .89

722 HOH O 37. .54 40. .39 25. .83 37. .37

723 HOH O 0. .87 4. .43 6. .91 40. .58

724 HOH O 23. .37 35. .30 4. .17 37. .61

725 HOH O 17. .62 6. .22 29. .80 37. .25

726 HOH O 44. .94 38. .39 25. .33 16. .32

727 HOH O 13, .62 3, .89 4. .77 41. .49

728 HOH O 14, .68 11. .08 -1. .41 38, .61

729 HOH O 39, .59 39. .04 13. .30 39, .77

730 HOH O 30, .04 37, .55 2. .17 35, .03

731 HOH O 20, .72 54, .92 22. .23 40, .59

732 HOH O 39, .30 41, .58 16. .85 38, .12

733 HOH 0 30, .22 14, .54 33, .12 36, .13

734 HOH 0 44, .88 16, .12 17, .44 40, .11

735 HOH 0 22 .78 22, .63 40, .31 35, .96

736 HOH 0 33, .06 37, .75 26, .01 39, .69

737 HOH 0 17 .07 46, .98 0. .74 36, .86

738 HOH 0 37 .60 23, .07 38 .77 37, .55

739 HOH 0 0 .00 40. .87 25, .33 16, .32

740 HOH 0 12 .51 54 .57 -1 .90 43, .19

741 HOH 0 33 .13 22 .04 39 .54 40, .11

742 HOH 0 36 .17 45 .68 2 .87 41 .41

743 HOH 0 44 .87 28 .56 11 .54 41 .74

744 HOH 0 17 .62 12 .52 -5 .05 41 .53

745 HOH 0 38 .35 45 .31 6 .14 41 .31

746 HOH 0 2 .90 29 .39 17 .04 40 .33

747 HOH 0 38 .47 35 .20 8 .05 42 .21

748 HOH 0 32 .99 34 .14 27 .79 44 .25

749 HOH 0 11 .74 18 .94 -6 .68 40 .14

750 HOH 0 4 .20 -0 .48 10 .69 43 .48

751 HOH 0 0 .65 15 .97 8 .36 40 .20

752 HOH 0 14 .96 25 .02 -2 .80 40, .23 753 HOH O 14.,38 10.,42 34.,03 41..48

754 HOH O 1. ,18 21. .45 -0. ,84 40. .36

755 HOH O 32. .03 17. ,59 -13. .73 40. .27

756 HOH O 15. .49 38. .05 21. .78 41. .24

757 HOH O 39. .94 27. .60 33. .14 36. .42

758 HOH O 45. .21 20. .28 16. .85 37. .40

759 HOH O 7. .72 31. .60 17. .05 39. .81

760 HOH O 43. .61 25. .68 32. .11 38. .15

761 HOH O 29. .55 52. .00 6. .46 42. .04

762 HOH O 14. .98 49. .54 0. .00 16. .32

763 HOH O 2. .27 55. .19 5. .13 41. .86

764 HOH O 11. .78 9. .00 26. .80 40. .59

765 HOH O 19. .91 10. .12 -4. .41 40. .76

766 HOH O 14. .50 6. .33 29. .89 39. .75

767 HOH O 3. .50 44. .06 3. .74 42. .25

768 HOH O 24. .44 8. .79 8. .01 38. .32

769 HOH O 14, .21 13. .11 37. .62 38, .40

770 HOH O 8, .12 57. .48 14. .12 40, .76

771 HOH 0 32, .88 50. .95 14, .16 37, .40

772 HOH 0 18, .34 41, .74 23 , .96 37, .57

773 HOH 0 2, .08 59. .34 9, .58 40, .79

774 HOH 0 23, .29 1, .73 9. .37 39, .96

775 HOH 0 8, .85 59. .01 10, .29 41. .78

776 HOH 0 13, .33 38. .89 24, .81 40. .05

777 HOH 0 3 .18 34. .83 4, .93 42. .31

778 HOH 0 4 .33 -2. .19 0, .01 43. .12

779 HOH 0 25 .60 52. .88 8, .33 35. .87

780 HOH 0 43 .30 41. .49 14, .20 39. .10

781 HOH 0 41 .81 13 .18 18, .95 39. .72

782 HOH 0 25 .61 2. .87 19, .48 43. .67

783 HOH 0 42 .58 14 .86 28 .71 37 .37

784 HOH 0 20 .78 16. .69 41, .51 40. .97

785 HOH 0 45 .52 19 .85 13 .04 37 .41

786 HOH 0 14 .24 55 .76 17 .02 40 .16

787 HOH 0 -1 .46 61 .76 9 .09 40 .16

788 HOH 0 24 .53 29 .16 -5 .74 39 .70

789 HOH 0 31 .07 43 .13 35 .04 40 .86

790 HOH 0 11 .90 32 .00 30 .16 41 .73

791 HOH 0 16 .32 51 .00 3 .74 37 .82

792 HOH 0 -6 .27 40 .41 28 .81 40 .31

793 HOH 0 42 .49 32 .62 7 .37 41 .99

794 HOH 0 40 .67 47 .57 7 .06 38 .56 795 HOH O 41..83 20..81 35..04 38..74

796 HOH O 5. .01 2. .74 8. .92 40. .46

797 HOH O 40. .31 34. .43 4. .82 37. .12

798 HOH O 32. .46 44. .27 22. .31 37. .01

799 HOH O 21. .13 21. .80 -4. .06 41. .89

800 HOH O 9. .60 30. .35 21. .18 40, .89

801 HOH O 25, .44 28, .64 -8, .58 41, .24

802 HOH O 14. .31 10, .25 -11, .82 39, .41

803 HOH O 4. .65 17. .80 -3, .02 39, .74

804 HOH O 29. .29 33. .28 30, .80 42, .54

805 HOH O 34. .72 14. .29 40. .69 39. .06

806 HOH O 23. .10 27. .31 42. .94 44. .33

807 HOH O 44. .81 23. .50 10. .57 39. .21

808 HOH O 23. .60 35. .27 -5. .92 40. .31

809 HOH O 32. .67 50. .28 2. .68 40. .81

810 HOH O 24. .97 43, .14 26. .56 38. .55

811 HOH O 13. .57 44, .47 18. .12 39. .34

812 HOH O 37. .84 42, .64 10. .84 42, .02

813 HOH O 23 , .95 56, .70 13, .22 43 , .25

814 HOH O -1, .13 17, .52 0, .04 39. .92

815 HOH O 27. .69 25, .00 -8, .92 42. .83

816 HOH O 6. .32 19. .98 0, .80 44. .07

817 HOH O 42. .35 27 .11 7, .74 40. .41

818 HOH 0 27. .71 23 .79 44, .70 39. .10

819 HOH 0 17. .76 33 .77 -5, .16 42. .11

820 HOH 0 24. .67 32 .99 38, .48 39. .53

821 HOH 0 43, .78 25 .83 -1. .14 42 .15

822 HOH 0 35, .87 6 .59 3, .03 38 .24

823 HOH 0 15 .18 31 .42 25 .59 41 .10

824 HOH 0 26 .75 25 .51 -3 .71 40 .57

825 HOH 0 0. .96 11 .94 6 .29 40 .43

826 HOH 0 14 .15 47 .08 3 .88 38 .39

827 HOH 0 15 .67 35 .72 -2. .23 44 .17

828 HOH 0 42 .00 26 .26 -5 .39 40 .55

829 HOH 0 25 .61 56 .12 5 .80 38 .56

830 HOH 0 2 .01 5 .52 -1 .30 42 .55

831 HOH 0 38 .28 13 .29 4 .39 42 .27

832 HOH 0 -3 .85 5 .10 14 .46 42 .58

833 HOH 0 7 .50 22 .14 -3 .31 40 .49

834 HOH 0 25 .13 44 .24 23 .58 39 .04

835 HOH 0 19 .92 -1 .19 10 .38 43 .25

836 HOH 0 25 .78 24 .46 39 .06 39 .45 837 HOH O 36..27 24..11 -7..90 37..29

838 HOH O 7. .82 51. .16 16, .62 40, .39

839 HOH O 4. .84 21. .30 5, .18 39, .97

840 HOH O 18. .20 5. .60 24, .86 38. .58

841 HOH O 23. .22 38. .75 -2, .61 41. .82

842 HOH O 26. .23 37. .42 3, .45 39. .45

843 HOH O 3. .77 22. .11 -1, .89 39. .21

844 HOH O 7. .73 54. .70 19, .17 40. .38

845 HOH O 4, .93 26. .89 18, .89 39, .23

846 HOH O 14. .38 7. .44 14, .59 41, .42

847 HOH O 8. .62 54. .13 -0. .24 39. .42

848 HOH O 43. .50 28. .12 32. .11 38. .90

849 HOH O 10. .97 44. .42 29. .84 44. .26

850 HOH O 4. .44 1. .69 5. .19 41. .17

851 HOH O 32. .38 12. .16 34, .84 37. .90

852 HOH O 15. .55 9. .64 36, .92 39. .33

853 HOH O 8, .99 47. .59 18, .97 42. .71

854 HOH O 30. .92 -3. .99 9, .34 41. .04

855 HOH O 38, .75 15. .93 37, .87 40. .87

856 HOH O 9, .81 31. .04 4, .60 38. .41

857 HOH O 32, .45 50. .26 20, .11 40. .29

858 HOH O -2, .54 18. .89 16, .93 40. .23

859 HOH O 18 .00 4, .49 19. .61 41. .47

860 HOH 0 15 .42 53. .42 3. .00 39. .95

861 HOH 0 8 .35 38, .02 13. .76 40. .44

862 HOH 0 44 .52 15, .79 -0. .68 40, .37

863 HOH 0 25 .42 7, .36 20 .35 39, .33

864 HOH 0 24 .18 43, .29 30 .50 39, .79

865 HOH 0 22 .95 4. .67 0 .25 39. .51

866 HOH 0 27 .62 9, .38 -1 .30 42. .58

867 HOH 0 5 .73 13, .29 -8 .33 38. .97

868 HOH 0 -4 .02 15. .73 14 .37 42. .49

869 HOH 0 39 .37 14. .41 34 .29 43. .68

870 HOH 0 31 .93 46 .49 38 .53 41. .90

871 HOH 0 5 .55 27 .42 1 .52 38. .02

872 HOH 0 29 .67 38 .24 33 .08 39 .36

873 HOH 0 9 .95 0 .55 23 .18 40 .59

874 HOH 0 18 .04 20 .60 -5 .90 39 .89

875 HOH 0 32 .42 12 .52 7 .21 42 .42

876 HOH 0 36 .17 11 .43 11 .97 39 .82

877 HOH 0 34 .07 31 .06 -1 .38 41 .59

878 HOH 0 7 .62 7 .86 23 .13 40. .25 879 HOH O 5..50 9..21 19..86 40..68

880 HOH O 32. .01 44. .88 0. .95 42, .33

881 HOH O 7. .17 48. .72 35. .07 41, .44

882 HOH O 7. .36 5. .34 33. .65 41, .99

883 HOH O 39. .59 18. .10 36. .23 41, .41

884 HOH O -6. .25 18. .71 9. .85 42, .15

885 HOH O 36. .37 10. .94 -0. .56 38. .22

886 HOH O 19. .73 24. .92 -5. .49 39, .43

887 HOH O 35. .75 46. .61 9, .03 39, .46

888 HOH O 33. .17 11. .45 -7. .58 41. .63

889 HOH O 0. .51 41. .70 3. .23 39. .98

890 HOH O 27. .69 41. .29 37. .99 41. .85

891 HOH O 11. .31 37. .05 4. .11 41. .25

892 HOH O -2. .68 14. .48 0. .83 43. .18

893 HOH O 5. .72 32. .36 28 .12 38. .40

894 HOH O 42. .06 38. .88 30. .39 42. .35

895 HOH O 38. .60 7. .33 -10. .86 41. .27

896 HOH O 31. .81 35 .36 -2 .27 40. .54

897 HOH O 28. .42 9. .25 35 .66 39. .04

898 HOH O 2. .39 25. .27 -3 .27 41. .27

899 HOH O 33. .34 15 .18 -16 .75 40. .09

900 HOH O 1. .71 61. .10 3 .18 40. .86

901 HOH O 6. .52 9 .09 -8 .09 42. .30

601 R25 Cl 18. .86 28 .15 17 .44 29. .62

601 R25 N2 19. .79 29 .14 17 .52 29. .19

601 R25 N3 17. .66 28. .30 18 .04 30. .44

601 R25 N4 19. .29 27. .06 16 .80 30. .32

601 R25 C5 20, .82 28. .68 16 .85 29, .68

601 R25 C6 16, .75 29 .39 18 .16 31, .11

601 R25 N7 20, .56 27 .39 16 .47 29, .28

601 R25 C8 22, .07 29 .42 16 .53 29, .38

601 R25 C9 16, .89 30 .56 17 .34 31, .63

601 R25 CIO 15, .67 29 .36 19 .08 31, .84

601 R25 Cll 21, .89 30 .45 15 .39 29, .37

601 R25 C12 15, .98 31 .66 17 .46 31, .67

601 R25 C13 14, .76 30 .44 19 .20 31, .65

601 R25 C14 20, .90 31 .60 15 .64 29, .23

601 R25 C15 14, .91 31 .59 18 .39 32, .09

601 R25 C16 19, .76 31 .75 14 .79 28, .46

601 R25 C17 21, .09 32 .53 16 .70 29, .20

601 R25 C18 18, .84 32 .80 14 .99 29, .09

601 R25 C19 20 .16 33 .58 16 .90 28 .46 601 R25 C20 19,.03 33.72 16.05 28.70

501 CO CO 21, .52 25. .57 16.10 31.64

502 CO CO 18. .26 25. .33 16.45 31.38

M M M M M M M M

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to to to to to to to to CO CO M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M o o o o o o o o VD VD VO VO VD VO VO VO VO VO vo VD VD VO VO VD VO VD VO VO vo vo VO VO VO vo VO VD VO vo VO vo

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to ro to to to to to to to to to ro co ro to to to to to to CO CO CO CO CO CO CO eo CO co CO co CO CO ro CO CO CO CO CO CO CO o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o

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00 00 oo 00 00 00 00 o 00 OJ UJ oo oo 00 oo oo oo 00 00 00 00 00 00 OO 00 00 oo 00 00 00 00 00 Ul 00 00 CO oo oo CO CO CO eo

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to to eo eo to to eo eo t to eo eo eo to to eo o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o vo vo vo vo vo vo vo oo -o -o cn σ

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M M M M M M M M M M M M M M M M M M M M h^ ^ h^ ^ ÷ t-> t-^ t-> ⁱ H- M M M M M M M M M ~j j ^J ~j ^] ^] ^] ^] cn σι σι cn cπ cn cπ uι Ul lb lb lb co o oo eo co co eo M M

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Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω 3 O Ω 3 O Ω Ω Ω 3 O O Ω Ω Ω Ω Ω O Ω Ω Ω 3 O Ω CJ O Ω 03 > 03 D CJ Ω 03 > Ω 00 Ω CO M > to M α o > > Cl CJ eo M

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CO to CO CO eo CO CO CO CO eo eo eo CO CO CO eo to eo eo CO CO CO eo CO CO eo to CO eo eo CO CO eo CO eo eo eo t to to to to ro to eo eo eo t CO CO CO eo to CO CO CO CO CO co eo to CO to eo eo eo eo to M M M M M M M M M M M M M M M M lb lb OJ 00 OJ 00 00 00 CO eo CO to M M M M M M M o o o o o o o VO VO VD vo VD VD VO vo VO vo VD CO 00 00 00 CO cn cn Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω >-3 1-3 ¹-3 TJ T) TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ > >

Ki Ki K; P C 33 33 33 33 33 33 33 EC EC EC EC EC EC EC EC EC EC EC >P P P > > ES ES K; P P P EC EC EC EC EC EC E P P 33 33 CO Co CO ω cn cn Ki Ki Ki ; 33 33 33 33 33 33 33 O O O O O O O ES ES LS LS ES IS ts rs tS ts LS > > > > >

2

to to 00 00 00 oo 00 CO CO CO CO CO CO eo oo 00 00 to ro CO eo CO eo CO to to CO eo eo CO CO eo eo CO CO eo eo eo to to to CO

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CO CO CO CO eo CO CO CO CO to to CO eo CO CO CO to ro to CO CO CO CO CO CO to eo t CO CO eo CO eo CO to CO CO to co co CO to

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> > > > > > > > Ω Ω Ω Ω Ω Ω > > > > > > > > > > > > > > P P P P P P P P cn CO cn CO P P P P P P P P Ki K; Ki Ki Ki Ki cn > CΛ Cn c >n m cn cn cn in cn cn m cn in cn cn LS t LS LS ts ts ts LS ES ES ES LS > > > > > > > > cn cn LΛ cn CΛ n 3 3 3 2 2 2 3 3 3 3 3 3 2 2 2 2 G σ G G G G G G 33 33 33 33

Ω Ω 2 Ω Ω Ω 3 O Ω cn Ω Ω 3 O Ω O Ω Ω Ω 3 O Ω 3 Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 O Ω O Ω 03 > o 03 > Ω 03 3 O > 3 Ω 03 > CJ Ω 03 03

CO C O M eαo M > CJ CJ Ω 03 eo M > Ω

to to eo to to CO to CO to CO CO to CO eo to eo CO CO to to to eo eo CO OO 00 OO OO 00 00 CO 00 00 00 oo 00 oo OO to CO CO CO

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00 vo VD -J ] ^3 00 00 00 M o vo VD 00 oo M o o co oo o 01 Ol 00 Ol -J -J Ol -J vo oo oo O VD vo 00 vo -J CO vo vo vo on M o VO M cn cn M 00 1 vo vo 00 -o oo lb to VD o 00 M 00 eo o co lb ^3 M M eo M lb on oo on CO oo Ul co M to eo -J CO CO CO M vo ui on on vo ui CO ^3 CO Ul vo M VD 01 O vo CO M M O M 00 vo ! O oo oo lb O ui Ol 00 00

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> > > > TJ TJ TJ T3 TJ TJ TJ ι-3 hi ι-3 ¹-3 ¹-3 ¹-3 ^3 ¹-3 ¹-3 ι-3 ι-3 ¹-3 1-3 ι-3 EC EC EC EC EC EC EC EC EC EC ω cn cn in 33 33 33 33 33 33 33 EC EC EC EC EC EC EC Ki Ki Ki Ki Ki Ki Ki H H H H H H H H H > > H P P

2 3 3 2 O O O O O O O 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 CΛ O CO cn cn cn CΛ CO ω cn > >

2 O Ω

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¹-3 ι-3 ¹-3 ι-3 ι-3 P3 ι-3 ι-3 ¹-3 ¹-3 3 > > > > > > > Ω Ω Ω Ω > > > > > > > EC EC EC EC EC EC EC EC EC EC EC EC EC EC CO C >O CO cn cn cn cn in >

P P P P P P P P P in cn cn C >Λ

P P P P P P P 33 33 33 33 33 33 33 33 33 33 33 33 33 33 TJ TJ TJ TJ TJ TJ TJ TJ Ki Ki K; > > > > 3 3 3 3 o Ω

oo oo oo oo oo oo oo oo oo oo oo oo oo eo vo o eo to co o vo vo o o cn on on on oo -o cn on on oo

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M to on on oo on vo cn ι cn oo o o vo eo vo M ui M -J cn eo eo eo

oo on cn o cn cn vo eo o vo ι on vo o vo eo on -o. vo M cn o oo co oo oo o ui to eo eo eo eo eo eo co to co to to to eo eo eo co eo eo eo to co to on on oi oi on on cn -o cn ι o vo vo on on on on on on vo eo vo oo on to t oo o oo o o on on M o on oo vo co vo vo o vo o OJ vo oo oo o o to o o on

to CO CO CO CO CO CO CO eo CO to to to to to to to to to to ro to CO eo CO CO eo to t to to to to to to to CO CO to CO to to lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb cn en en cn cn Ul Ul Ul Ul Ul Ul Ul ui lb lb lb lb lb lb lb lb lb lb lb lb OO 00 00 00 00 00 OJ 00 Ul to CO CO CO CO CO CO CO

> > > > > > > > > > > ι-3 H ι-3 H H Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P in tn t CΛ > H H H H H H ι-3 n m CΛ CΛ CΛ CΛ tn cn cn m Ki Ki Ki Kj Ki Ki Ki Ki Ki Ki Ki P P P P P P P P P ts ts rs rs ts rs rs rs

T) TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ 33 33 33 33 33 33 33 33 33 33 33 33 3 3 3 3 3 3 3 3 3 G G G G G G G G

Ω Ω Ω Ω 3 Ω Ω o Ω Ω Ω Ω 3 Ω Ω O Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω 3 O Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω 3 ti 63 03 > J CJ Ω 03 > EC IS ts ti ts l 63 03 eo M to ro M M > ES ts ti 63 03 to > J 63 03

M M α C

CO M >

Ul 00 00 oo 00 OO 0J lb oo 00 oo OJ oo lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo lb 00 oo oo 00 00 lb cn Ol on on Ul ^1 o VD vo 00 00 o M to to eo to to M M vo o CO CO M o o o VD M o 00 CO vo vo o on 01 M 00 o vo o J M 00 lb Ul on o VD M M lb ui lb on to oo lb oo M oo lb M on 1 on 00 on o on lb o o Ol VD ^3 VD CO Ul Ol 01 vo lb Ul eo vo M 00 lb 00 00 ^1 M M 00 o co lb 00 o o M 00 00 CO on ^j CO on M o eo to IO t to t to to CO CO CO CO to eo eo M M to M to CO to eo 00 eo co to CO t CO CO eo to to eo ro to to J Ul lb ib Ul Ul to M to J CO 00 M ~3 00 vo o CO o M eo oo on o 00 o 00 cn on Ol cn ^1 00 vo eo o cn M to lb vo M 00 eo oo 00 ui on o oo oo ^1 M o Ul o O CO M lb M 00 lb CO Ol lb cn VD

M 01 on o vo lb CO J vo CO o o ui 00 ui o ui o vo 01 vo oo VO CO on o o CO VD o ^3 00 ^3 M O

CO to to to to Ul Ul UJ 00 00 00 OJ CO eo oo oo oo OJ eo to eo eo eo eo eo CO CO to CO t to eo CO to to CO vo CO 1 CO VO o o UJ oo 00 to o o 00 vo o o M o 00 00 VD oo co 1 CO vo vo vo VD on on ui lb 00 00 lb lb lb to Ul cn M Ul M M 00 vo M CO M on to to VD vo as CO on M J Ol oo M lb cn eo o on 00 Ol 00 CO on vo M VO lb lb on CO M 00 oo vo 00 cn lb M Ul oo o lb o lb on lb Ol oo lb 00 eo lb M eo lb CO lb O to to to to to eo Ul 00 00 CO eo to to to 00 Ul 00 to 00 CO to eo CO CO oo ro co IO eo co eo eo eo co to to to vo VD 00 ^ -0 oo oo CO CO M VD 00 ^1 J M o o vo o VD CO 00 o vo oo oo co J 01 on Ol on Ol 01

00 M lb VO Ol UJ o to vo 00 VD oo vo CO on lb CO oo o on vo 00 on 00 00 to M 00 on to M 03 on 01 lb o M to 01 o o on 1 o o lb eo VD M vo o cn vo 00 eo to o on on o oo M vo on 00 Ul oo on oo vo M VD

to to to to to to t to CO eo to CO CO co to ro to to co o CO CO CO CO to CO to CO CO CO CO CO CO co to CO CO to CO CO eo eo

Ul Ul U! Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

M M M M M M M M O O O O o o o o vo vo VD vo VD vo VD vo VO 00 00 CO oo 00 00 ^1 ^1 -o 1 ^1 ^J -J ^1 on cn Ol

> > > > > > H PH H H H H H M P P P P P P P P P Ω Ω Ω Ω Ω Ω H PH H H H H H H > cn cn cn C i > > cn Λ CΛ CΛ CO P P P P P P P P Ki Ki Ki Ki j Ki Ki Ki Ki Kj Ki Ki K P P P P P P P P cn CΛ cn

TJ TJ TJ TJ TJ TJ TJ TJ LS LS LS ES ES ES ts ts co CO CO CO co CO CO co co CO C CΛ CO CΛ CO ES IS LS IS ts ts ES LS TJ TJ TJ o Ω Ω o Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω 2 Ω Ω Ω Ω Ω 2 Ω Ω cn Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 o Ω Ω ti ti 63 03 > ti 63 63 03 IS rs O 63 03

M M CO > 63 03 > ti 63 63 03

M M CO > fl to M eo

CO CO CO CO eo t to to CO eo Ul 00 00 OJ CO eo to eo CO CO eo to CO CO eo 00 Ul 00 oo OO oo oo 00 CO 00 oo oo 00 oo 00 oo oo Ol on oo oo lb ui Ol ^J ^3 00 CO eo O O vo vo 00 vo 00 ^1 Ol ^1 00 vo M M 00 0J CO eo M CO vo o M M to oo on on

Ol Ul o CO o oo lb ^J O 00 cn M CO oo 1 on vo M CO on VD on vo vo CO o eo Ul o lb Ul M o on o on 1 Ol Ul o M oi vo on lb o VD CO on on vo en on 00 o M to lb cn lb on VO lb lb ^j 00 o ^J vo 00 00 M VD VD eo vo 00 vo o o

CO CO to CO CO co co CO eo CO CO to o CO CO to to CO IO to to to IO IO eo to eo CO eo eo CO eo eo co to eo CO eo CO eo to CO ^1 01 cn on cn Ol Ul on oo lb on lb lb lb lb lb Ol ui on ui lb oo lb lb lb 00 lb on on lb 00 lb 00 o M oo CO oo oo CO oo ^1

CO 01 o oo o CO ^1 ^3 on on Ol CO on o CO oo oo M lb OJ o CO ^1 lb CO o M to M 00 vo vo lb on lb oo o CO ui cn vo CO Ol lb o M on ui CO on oi oo M on on lb eo to M CO on o cn VO lb cn vo lb vo o o M o vo ui CO M on o on CO o lb

M M M M M M M M M M M M M M M to CO CO eo to eo eo CO IO CO eo eo eo eo CO CO CO CO eo to eo CO eo eo to CO Ul on ^3 on 01 oi 1 CO 00 on 00 VD o O cn on lb 00 eo M CO to CO M OJ oo lb Ol Ol CO vo oo ^3 -o ^1 -o eo M Ul lb eo 00 o oo o O oo 00 o lb CO lb cn 0J 00 00 ^3 -j CO oo M CO vo Ol CO CO lb o eo co o lb vo on lb M to VD M on co o

M ^ oo 00 ^1 co 00 00 vo CO on on M CO o ^J M 00 vo VO to CO o lb on CO oo to Ul CO lb CO CO

CO CO to eo CO CO to CO eo to CO t CO CO eo CO eo eo CO CO CO to CO CO eo CO to CO t CO eo to to CO CO CO eo t eo CO co eo lb lb Ul lb lb lb oo oo oo 00 00 oo oo oo oo 00 lb oo lb 00 lb OO lb OO lb lb lb on lb lb lb Ul on 01 Ul on cn on Ol on cn vo o o M 00 00 M CO VD 00 CO 03 CO 01 oo lb 01 M 01 M vo to vo on lb Ul 00 lb 00 vo lb on co ^1 on to ^1 on Ol vo OJ

Ul lb M O lb lb CO VD on CO lb Ul lb o 01 to oo oo 00 o M o o 00 00 ~3 on on VD 00 00 Ul vo t 01 00 lb vo vo 0J 00

252 PHE N 26..65 26..07 13..92 24..41

252 PHE CA 26, .75 26. .88 12. .71 25, .28

252 PHE CB 28. .20 26. .96 12. .18 25. .24

252 PHE CG 28. .72 25. ,66 11. .64 25. .53

252 PHE CDI 29. .16 24. .66 12. .49 25. .10

252 PHE CD2 28. .76 25. .44 10. .26 25. .61

252 PHE CEl 29. .63 23. .45 11. .99 25. .92

252 PHE CE2 29. .23 24. .24 9. .74 25. .23

252 PHE CZ 29. .67 23. .24 10. .60 25, .36

252 PHE C 25, .82 26. .33 11, .65 25, .61

252 PHE 0 25, .40 25. .17 11, .70 25. .88

253 GLY N 25, .48 27. .18 10, .69 25. .85

253 GLY CA 24, .57 26. .76 9, .65 26. .28

253 GLY C 24, .97 27, .17 8, .26 26. .63

253 GLY 0 25 .67 28. .17 8, .05 26, .56

254 THR N 24 .52 26, .37 7, .31 26, .52

254 THR CA 24 .80 26, .60 5 .91 27, .04

254 THR CB 25 .73 25, .51 5 .35 27, .38

254 THR OGl 25, .19 24. .22 5, .66 27. .62

254 THR CG2 27, .12 25. .62 5, .98 27. .49

254 THR C 23, .45 26, .53 5, .21 27. .25

254 THR 0 22 .49 25. .98 5, .76 27, .32

255 HIS N 23, .35 27, .10 4, .02 27, .68

255 HIS CA 22, .09 27, .04 3, .30 28, .39

255 HIS CB 21 .15 28, .17 3, .76 28, .08

255 HIS CG 21 .43 29, .49 3 .12 28, .33

255 HIS CD2 22 .27 30, .50 3. .48 28, .12

255 HIS NDl 20 .85 29, .89 1 .93 28, .36

255 HIS CEl 21 .31 31. .08 1 .59 28, .15

255 HIS NE2 22 .17 31. .47 2 .51 28, .18

255 HIS C 22 .33 27 .16 1 .80 28, .88

255 HIS 0 23 .31 27 .76 1 .36 28 .65

256 ILE N 21 .43 26 .54 1 .05 29 .00

256 ILE CA 21 .45 26, .61 -0 .40 29, .68

256 ILE CB 21 .68 25, .23 -1 .07 29, .88

256 ILE CG2 21 .44 25, .33 -2 .58 30, .14

256 ILE CGI 23 .12 24 .76 -0 .81 30. .10

256 ILE CDI 24 .17 25 .62 -1 .46 29. .64

256 ILE C 20 .03 27 .08 -0 .70 29 .91

256 ILE 0 19 .07 26 .43 -0 .30 29 .69

257 SER N 19 .91 28 .23 -1 .36 30 .64

257 SER CA 18 .62 28 .80 -1 .72 30 .96 257 SER CB 17..95 27..95 -2..80 31..49

257 SER OG 18. .81 27. .80 -3. .92 31. .83

257 SER C 17. .69 28. .92 -0. .51 31. .05

257 SER 0 16. .49 28. .64 -0, .60 31. .10

258 GLY N 18. .23 29. .34 0, .62 30. .74

258 GLY CA 17. .39 29. .49 1, .80 30. .55

258 GLY C 16. .99 28. .20 2, .48 30. .37

258 GLY 0 16. .22 28. .22 3. .44 30. .40

259 ARG N 17, .49 27. .07 1. .99 30. .39

259 ARG CA 17, .20 25. .77 2. .60 30. .51

259 ARG CB 17. .28 24. .65 1. .56 30. .55

259 ARG CG 16. .36 24. .89 0. .36 31. .09

259 ARG CD 14. .94 25. .22 0. .81 31. ,47

259 ARG NE 14. .06 25. .48 -0. .33 32. ,20

259 ARG CZ 12. .76 25. .73 -0. .23 32. ,47

259 ARG NHl 12. .18 25. .76 0. .96 32. .13

259 ARG NH2 12. .03 25. .93 -1. .32 32. .45

259 ARG C 18, .29 25. .62 3, .66 30. .36

259 ARG 0 19, .43 25. .28 3, .35 30. .24

260 ILE N 17, .92 25, .89 4. .90 30. .10

260 ILE CA 18, .84 25, .90 6. .04 29. .85

260 ILE CB 18, .33 26, .91 7. .09 29. .71

260 ILE CG2 19, .30 26, .99 8. .27 29. .74

260 ILE CGI 18, .14 28, .28 6. .44 29. .39

260 ILE CDI 17, .41 29, .28 7. .33 30. .14

260 ILE C 19, .17 24, .60 6. .78 29. .60

260 ILE 0 18, .30 23, .81 7 .10 29. .34

261 ILE N 20 .46 24 .43 7 .07 29. .84

261 ILE CA 20 .93 23 .28 7 .85 29. .25

261 ILE CB 22 .10 22 .55 7 .16 29, .31

261 ILE CG2 22 .78 21 .60 8 .14 29, .28

261 ILE CGI 21 .59 21 .76 5 .94 29, .28

261 ILE CDI 20 .63 20 .65 6 .29 29, .34

261 ILE C 21 .40 23 .86 9 .18 29, .54

261 ILE 0 22 .36 24 .64 9 .23 29, .02

262 ASP N 20 .69 23 .51 10 .24 28 .87

262 ASP CA 20 .99 23 .95 11 .60 28 .95

262 ASP CB 19 .72 24 .52 12 .26 29 .45

262 ASP CG 19 .99 25 .17 13 .61 30 .53

262 ASP ODl 21 .16 25 .23 14 .05 30 .93

262 ASP OD2 19 .02 25 .64 14 .23 30 .63

262 ASP C 21 .44 22 .68 12 .33 28, .37 eo to to CO CO CO eo CO CO CO to to to CO CO to to CO CO to CO co co CO to CO CO to to CO t to CO CO eo eo eo CO CO eo CO eo on Ol on on cn cn en on O on Ol Ol n Ol Ol Ol Ol σi O Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol Ol

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> EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC P P P P P Ki Ki Ki >

EC EC EC EC EC > > > > > Ki CΛ

33 33 33 33 33 P P P P P P P 33 33 33 33 33 33 33 LS LS LS LS LS LS ts rs ts LS LS > > > > CO CO O CO O cn TJ

Ω O Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω 3 Ω Ω cn Ω Ω 3 Ω

63 Ω 03 > 63 63 03 > 63 63 03

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M eo r i ti 03

Ms 63 03 > eo M > 63 00

CO >

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M M M M M CO eo CO CO CO CO CO M M CO co M to M CO IO CO to CO M CO M M M CO M CO CO CO to CO CO M CO to CO ro VD 1 oo VD VD M o M M M o o oo VO O O vo o vo M o o o o vo o vo 00 VD o vo o CO M M CO M CO o M CO M o M lb 00 lb UJ oo M M Ul 00 on lb cn oo M 01 o Ul lb eo VD M vo lb eo lb ^1 01 on lb lb Ol Ol to 00 CO lb lb Ul 00 ui ui 00 Ol M O CO VO 00 ui M on CO lb lb VD ^1 eo vo VD M 0J cn eo 00 CO M M CO lb 00 o CO on on CO o CO M eo eo eo eo to co eo M CO to eo eo CO to eo t to to eo M M M M M M M M M M M M M M M M M M M M M M M

Ol Ul Ol on 00 lb oo VO M M CO eo M M lb OJ 0O M o vo VD on Ol Ul -J on ^1 CO Ol Ul 00 lb eo CO OO CO ro lb Ol eo CO vo co on ^J lb to M o cn CO 00 o M co on n Ol Ol CO CO lb CO o Ul ^3 00 M eo 00 0J 00 M σi M to on 01

CO oo eo co o oo lb CO ib Ul M lb lb CO -o Ul to vo φ. VD -3 M o o OO OO Ol VD lb lb OJ on 01 00 M o n Ul eo t to CO to CO eo eo eo to CO CO to eo CO CO CO eo eo eo co to CO eo CO eo CO CO eo CO to to eo eo to to CO eo CO to eo eo on Ol Ol Ol cn on cn en cn 01 on Ol Ol cn Ol cn cn cn cn 01 oi on cn cn cn Ol en Ol 01 01 O cn 01 ^j ^J ^3 ^1 oo VO CO M Ul on oo vo CO o Ul CO CO CO oo o on lb 00 ui to o VD M CO vo CO oo lb Ol lb ui ui vo CO σ CO M Ol Ol to lb vo vo M M CO oo OJ CO on lb IO M 01 vo 00 CO to o CO o on on on VD on M CO M 00 o o vo ^1 Ol CO vo

eo eo eo co eo to co co co co eo to to ro to to t to to t ι ~o -J on on oo oo oo oo to to ro M M o o o o o vo vo vo vo vo vo vo vo

P3 1-3 P3 ι-3 P P P P P P P P P TJ TJ TJ TJ TJ TJ > > > > > > > TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ K; i K; Ki Ki Ki Ki Ki Ki Ki > 33 33 33 33 33 33 33 cn cn cn cn CO cn EC EC EC EC EC EC EC EC EC EC EC EC EC 33 33 33 33 33 CΛ cn cn CO cn cn CΛ O O O O O O O 3 3 3 3 3 3 3 3 LS LS LS ES t t IS t ts LS LS 33 33

2 O Ω

oo oo oo oo oo oo oo oo oo oo oo oo oo eo co on on on on cn on on cn cn vo o vo vo vo vo vo o vo on on o on o o vo M vo vo oo on on o co ι vo oo o o co on on o oo o vo eo on on o on vo o vo o to

VO

O M M eo M M M M M M M M M M M eo eo M eo M M on on o vo oo ^J on oo -J eo o vo o co on eo vo on oo vo oo oo vo oo o o M n to o on oo on eo vo oo oo oo oo to oo to eo to eo to o vo o oo eo on eo M o o vo vo to eo o eo on on cn eo to to to cn on vo vo vo on o o cn vo o o o cn o to oo on on cn eo vo vo vo on on on vo on M oo oo oo oo oo oo oo oo eo to co co co co eo eo ro co eo eo eo co eo o o o o vo oo cn cn on on cn vo on co on vo o o on o eo oo o cn on OJ o M oo oo o o cn M o on M to cn o -o oo cn o on

to

P P P P P P P P P P P P P P P P P P P P H H H H H H > > > > > > > > H H ι-3 >-3 ^|-3 H ι-3

Ki κ| Ki K; rs rs rs rs rs t rs rs ts IS rs rs rs rs ts rs EC EC EC EC EC EC EC m CΛ ω cn CΛ CΛ in cn Ki K; i, Ki Ki cn cn cn n G G G G G G σ G G G G G G G G G 33 33 33 33 33 33 33 TJ TJ TJ TJ TJ TJ TJ TJ 33 33 33 33 ^•pa 33 33

Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω o o 3 O Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω O Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω O Ω Ω Ω Ω

Ω 03 > 63 03 > α CJ 63 03 D CJ 63 00 ts ES Cl to M t M > 63 63 03 E to M > to M > C to to ts

M

to oo eo eo eo eo to to eo to to eo oo oo oo oo oo oo oo cn -J vo on cn on o vo oo vo o on M eo o eo vo to M o vo vo _^J ui M o M on M vo o on to ! o on cn o on on M on vo vo cn vo vo on ι on on *> ui vo o O

M M M M M M M M M M M M M M M M M eo to M eo o to oo cn on on oo o M to o M o o vo o

M on oo oo to o on vo cn on o o eo vo on o vo o to

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eo to IO CO eo to co co co CO CO CO CO to CO to to eo CO to CO CO CO co eo co co ro co co eo eo CO CO CO CO eo to eo IO to oo oo 00 00 co oo oo oo oo 00 00 00 00 00 00 co co 00 00 00 00 oo CO co co co co co oo oo oo ι ^3 ~J ^J ] -J -J ^j ^i lb oo Ul UJ co to co to eo CO CO CO IO M M O O o o o vo VO vo vo VD oo 00 00 00 00 ι-3 ι-3 ι-3 > > > > > > > > > P p P P P P P P > P P P C EC EC P P P P cn CΛ C >Λ C >O co CΛ CΛ C >O Ki Ki Ki Ki Ki Ki ≤ ≤ P P E > > ≤ > > P P P P P κ| κ; κ; κi κ; 33 33 33 > > > > TJ TJ TJ TJ TJ TJ TJ TJ cn cn cn cn cn cn CΛ cn P P P P P P P > co co cn cn co

Ω Ω 3 O Ω Ω Ω 3 Ω o o Ω Ω Ω 3 O Ω 3 Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω Ω 3 O Ω 3 Ω Ω 03 > 03 > σ 00 > ts is α Ω 03 > Ω Ω 03 > 03 > rs t CJ

CO α Ω

to M M M M M M M M M to M CO to to CO eo CO CO eo eo to eo CO to CO eo CO eo t eo CO CO CO eo CO CO eo eo to eo CO

O 00 vo cn oo 00 CO vo CO vo o vo o M M to M CO 00 cn cn on lb J 00 M eo 00 CO 00 eo 00 M CO oo oo lb lb lb on en 01

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

Ul lb 00 oo Ul lb CO to o M ] -J co vo o M CO CO o o M to CO 00 00 lb lb -J -J on on lb CO 00 CO to to M M cn cn -J to on vo 00 lb o vo M Ol M ] vo oo Ol lb lb M IO cn co cn o cn eo VO J 01 M Ul on CO 00 ^1 M vo 00 o M Ul lb Ul Ol oi to VD VD cn vo 00 00 VD M eo vo cn Ul 00 Ol vo Ul CO ] cn o o 00 CO Ol M O oo -j eo M co on CO M vo lb CO lb l O t to t to eo to eo to CO eo eo eo CO eo to CO eo to M M eo to to eo CO IO CO CO to CO CO CO to CO CO to CO eo to eo to CO

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CO on vo CO CO o M on on -J vo CO IO CO vo o on lb oo o VD to VO CO 00 lb lb On CO Ol oo VD lb oo to cn on o vo CO eo 00

00 oo oo Ul oo OJ oo 00 00 l oo OJ oo Ul 00 oo 00 oo oo 00 oo oo OJ 00 OO oo OJ OO 0J oo 00 00 OO 00 Ui oo oo oo OO oo Ul 00 to to to Ul 00 CO oo oo oo Ul 00 lb lb Ul oo eo CO CO 00 ^3 on lb 00 eo co M M o o M M M O o o o o o o oo ι on

^ vo CO M eo vo M M 1 Ul on cn M ~J OJ CO Ul ] ui oo vo on CO 01 o -J 1 00 lb M M to vo VD on -J Ol o cn CO M oo

~J o o oo co vo 01 00 o M vo M o VD ui l CO lb M M CO cn 00 CO M -J CO oo lb -J 00 Ul 00 o VD on 01 vo en to M on

to CO CO CO CO to to to to to to t t to to ro ro ro CO CO to CO eo CO to CO eo CO eo co co CO CO CO CO eo to CO eo to eo eo vo vo 00 00 CO CO 00 00 co co co co co oo co 00 oo oo oo 00 00 00 00 00 CO 00 00 CO CO CO co CO oo 00 00 CO CO oo 00 CO CO CO o o vo vo vo VD vo vo VD vo vo 00 CO 00 CO 00 00 00 00 -o ~J ^1 ι cn cn cn cn cn cn cn on on on on on on on Ul lb lb lb lb

Ω Ω P P P P P P P P P PH H H H H H H H Ω Ω Ω Ω H H H H H H H > >

Ki > > > > H ι-3 H H

Ki Ki Ki Ki Ki Ki Ki Ki P P P P P P P P P P P P EC EC EC EC EC EC EC tn in cn cn cn cn tn in EC EC EC EC

(Λ cn cn cn cn cn CO CO cn CΛ cn LS ES ts ts ts ts IS LS Ki Ki 33 33 33 33 33 33 33 3 3 3 2 2 2 2 2 33 33 33 33

Ω 2 Ω Ω 2 Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 3 o Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 Ω Ω 3 Ω Ω Ω Ω 2 Ω Ω Ω O ts LS α 63 03 > D Ω 03 > > 63 63 03 l 63 03 > 63 63 M M to eo D M M eo M

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M to to CO M M M M M M eo o M M M Ul lb OO 00 OO oo lb 00 oo 00 ] on o lb lb t 00 OO lb 00 lb lb Ol Ul on σi Ol -J CO o o VD 00 vo ^1 00 vo o

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00 VD OO lb lb vo M vo oi lb ^J to vo lb M ro on M to vo o 00 CO Ol ] lb on Ul Ul lb CO ^1 o lb ^1 CO Ul CO ] 00 CO M

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

O O 00 VD lb ui Ul Ol CO VO O M M OJ oo M CO CO CO 00 00 00 to o M vo vo o o o o o o M o o M CO OJ 00 ui on to O ^1 to M CO -J ^1 o O 00 00 00 01 -J 00 lb 01 oo M M 00 lb Ol M vo eo CO CO -o M 01 eo M ui M to CO Ol lb ui lb

CO CO vo 00 Ul M lb lb o ] CO o Ul lb lb 00 M M vo oo CO 00 lb lb 00 lb Ol Ul 00 M co on oo eo 00 o o vo M 00 00 vo

M M M M M M M M M M M M M M M M M M M M M eo CO CO eo CO eo eo eo eo M M M M M M M to M CO M CO

00 00 Ol ^3 VO CO VO ^3 ^1 on ^1 on Ol ui en lb Ol 01 00 CO 00 o o o o 00 oo eo M o CO vo vo ^ CO vo vo o vo o o M

Ul to OO M Ul Ol o VO o o M oo OO Ol M cn O Ol o co ^1 eo ^1 to -J 00 lb CO 00 CO ^J O M lb on CO CO M oo o o CO

CO o 00 Ol VD lb M ^1 M lb OO Ol M Ul M oo cn O OJ o M o ^ Ul lb lb M CO lb VD on o CO ^1 on oo M o lb VD o o ib lb lb lb lb lb lb lb lb lb OO oo 00 oo 00 oo OO OO OJ J OO oo 00 oo 00 00 00 00 oo J oo oo UJ 00 OJ Ul UJ Ul 00 oo oo 00 oo CO M M Ul lb OO 00 M M VO CO CO Ol cn cn ^3 ^1 cn cn cn cn on on Ul on cn on on lb lb 00 lb lb lb Ul Ul Ul eo oo to CO

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CO o CO Ul cn o M O ] 00 CO vo lb ui o vo M -J ^1 J M lb vo lb CO VD ] vo CO o Ul co on ~J M M vo lb ui 00 vo CO

290 CYS CB 10..06 10..93 19..90 43..87

290 CYS SG 10. ,44 9. .83 21. .30 47. .46

290 CYS C 9. ,46 11. .15 17. .49 42. .84

290 CYS 0 8. .24 11. .06 17. .34 42. .84

291 ALA N 10. .21 11. .99 16. .79 42. .36

291 ALA CA 9. .65 12. .90 15. .79 41. .92

291 ALA CB 10. .73 13. .84 15. .26 41. .89

291 ALA C 8. .97 12. .18 14. .62 41. .77

291 ALA 0 9. .39 11. .10 14. .21 41. .42

292 GLY N 7. .92 12. .80 14. .10 41. .73

292 GLY CA 7. .21 12. .22 12. .98 41. .85

292 GLY C 5. .92 12. .96 12. .66 41. .79

292 GLY 0 5. .42 13. .75 13. .46 41. .43

293 ILE N 5, .39 12. .69 11. .47 42. .03

293 ILE CA 4. .15 13. .32 11. .03 42. .53

293 ILE CB 3. .81 12. .91 9. .59 42. .39

293 ILE CG2 2. .52 13, .58 9, .13 42. .66

293 ILE CGI 4. .97 13, .30 8. .66 42. .56

293 ILE CDI 4 .80 12, .85 7. .22 42, .18

293 ILE C 3 .02 12, .89 11. .97 42, .67

293 ILE 0 2. .89 11, .70 12. .29 42. .46

294 ASP N 2. .24 13, .85 12. .44 43, .28

294 ASP CA 1. .12 13, .60 13. .35 43, .88

294 ASP CB 0 .30 12, .40 12, .87 45, .06

294 ASP CG -0 .26 12, .58 11, .48 45, .83

294 ASP ODl -1. .04 13, .53 11, .27 46, .26

294 ASP OD2 0 .09 11 .78 10 .58 46, .92

294 ASP C 1 .56 13 .39 14 .79 43 .76

294 ASP 0 0 .74 13 .06 15 .66 43 .66

295 VAL N 2 .85 13 .56 15 .06 43 .40

295 VAL CA 3 .37 13. .41 16, .41 43, .03

295 VAL CB 4 .89 13 .10 16, .42 42 .82

295 VAL CGI 5 .44 13 .21 17 .84 42 .79

295 VAL CG2 5 .14 11 .71 15 .87 42 .43

295 VAL C 3 .11 14 .72 17 .16 43 .00

295 VAL 0 3 .29 15 .80 16 .61 43 .22

296 ARG N 2 .65 14 .61 18 .40 42 .95

296 ARG CA 2 .38 15 .79 19 .22 43 .13

296 ARG CB 1 .47 15 .41 20 .39 44 .01

296 ARG CG 0 .25 14 .60 19 .96 45 .25

296 ARG CD -0 .28 13 .77 21 .12 46 .70

296 ARG NE -0 .96 14 .58 22 .11 48 .15 00 oo oo OO oo J UJ J UJ Ui Ul Ul 0O 00 00 CO CO to CO to IO CO CO CO CO CO CO CO CO eo eo to to to to t to to to CO eo to o o O o o o o o O O O o o o o VD vo vo VD vo VD vo vo vo vo VD vo vo vo vo VD vo vo VO vo vo vo VD vo vo vo vo to to to to M M M M O O o o o o o VO vo vo VD vo VO vo vo oo oo oo 00 00 CO ι ~o ] ^1 ^1 ^J ^J -J 01 on Ol Ol Ol

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P P P ^•pa ^•pa G G G G Ki ; Ki Ki P P P P P P P TJ TJ TJ TJ TJ TJ TJ TJ cn cn cn cn O cn G G G G G G G G Ω Ω Ω a Ω

M M M 1 1 1

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M to CO M M M M M M M M OO lb lb on Ol Ol on lb on lb Ul on lb lb 00 lb to oo CO 00 lb on on Ol CO ^J CO oo VO M o VO 00 ui Ol lb CO lb

O O on ui o M o lb 00 00 oo 00 lb j oo o lb 00 VO M M Ul 00 Ul M eo vo M o on ui o eo on ui 00 vo oo M on ^J to M ^3 01 on O o M VD cn -o o lb Ol M cn CO 00 CO Ul on 00 M o 00 M lb M CO M to to eo eo vo 00 CO Ul eo eo eo eo CO to CO eo CO to CO M to co CO CO to t CO CO eo CO to CO CO eo CO CO to CO CO CO M M M M M M CO M eo CO CO

CO 1 cn Ol ui lb OO 00 00 VD o o M eo 00 00 to lb oo CO oo 00 on lb lb lb 0J CO M M ^1 oo VO VD vo o vo lb 00 oo

Ol on 00 CO 01 vo Ol lb o lb eo on CO CO VD to eo M o 01 ui CO M o O lb OJ 00 lb Ol oo M Ol VO ui oo M 01 to o O VO lb cn Ol 00 M cn oi lb on vo vo M 00 ui M lb eo o o cn M vo CO 00 lb o ^3 M oo 00 00 CO oo CO lb 00 eo VD lb lb oo OO oo OJ 00 00 00 UJ Ul 00 oo OJ OO OO 00 oo Ul 00 00 00 oo lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb 00 O vo vo vo VD VD VD vo vo VD vo vo vo VO VD VD CO CO CO vo VD VD O o O o o o M M to CO CO M M CO eo eo vo o 00 o VO vo 00 on vo on 00 on Ul Ul lb lb lb 00 o CO oo 01 o oo cn M M CO lb oo CO CO oo lb CO VD 00 CO lb o OJ cn lb oo to lb 00 o oo 00 on oi CO IO o Ul lb lb cn on CO M cn M VD VD VD M M VD o o 00 M o o Ol o CO on CO

l J Ul Ul Ul Ul Ul Ul Ul UJ oo oo 00 00 00 00 OO oo 00 00 00 00 OJ oo OO 00 00 Ul Ul Ul Ul Ul Ul UJ Ul Ul Ul Ul Ul l l l

O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o

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> > > > > > P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P

P P P P P P G G G G G G G G G 3 3 2 2 2 2 2 2 2 rs ts LS rs ES LS LS LS > > > > G G G G G

Ω Ω Ω Ω Ω 3 Ω Ω Ω O Ω Ω Ω Ω 3 Ω Ω 2 Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω 2 Ω Ω Ω O Ω

63 63 03 > rs rs ti 63 03 > rOs ts ti 63 03

M > CJ 63 63 03 eo > 03

M C M M to > LS LS D eo M CO M

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M on cn Ol lb lb lb o O o M M eo eo lb oo M o M eo eo Ul 00 on oo 00 00 ui oo oo eo CO M o o vo o o lb lb on

M lb 00 oo O ^J 00 t o CO 01 CO CO lb Ul O o to 00 M UJ o o VD on Ol o ^3 Ol to cn 00 to lb lb o 00 on CO lb lb M oo Ol 00 O M o cn o o ui M o o CO VD vo M Ul M 01 oo 00 •0 o oo lb M cn to ^3 cn to VD 00 vo oo 1 on

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M VD VO o O o O O 1 00 00 CO o M eo OO 0O 1 01 cn on ui lb lb oo lb on Ul Ul ui oo 00 M to M M eo 00 oo CO to CO

O O M M M on lb o o VD 0J eo on lb ui CO CO vo vo cn oo O ^3 M lb M VD 00 VD lb on eo lb CO vo M lb on Ul oi lb Ol VO M O VO ^J lb cn VD OJ to ^1 00 on oo M o lb 00 VD CO ^1 oo o M vo 00 O lb 00 vo vo M CO CO 00 CO to CO to CO CO CO 00 Ul Ul eo to 00 CO 00 eo 0J CO 00 00 oo oo CO to to to IO to CO to CO CO eo eo CO eo to eo to CO CO eo CO

VD O cn 00 CO M o o oo vo o vo o vo o vo to M M M VD vo ~3 CO oo Ul lb on ui cn Ul lb ui Ol 00 1 VD 00 to lb CO M Ol VD M M 00 1 vo l 00 on oo vo 1 on co 00 CO eo 00 lb o Ul Ul M oo on lb ui vo to 01 o M eo 00 O -0

CO oo on CO lb M M lb Ul oo lb Ul lb o Ol 00 00 lb lb vo cn ui oo on M Ul vo lb 00 t 00 lb M o eo 00 VD 00 l oo oo 00 OO OO 00 Ul lb lb lb lb lb 00 00 00 00 oo oo 00 00 oo oo OJ 00 00 oo Ul 00 00 00 oo 00 oo oo oo oo oo oo lb lb lb co VD vo oo 00 CO CO CO lb lb 00 co o vo CO 00 00 CO CO CO CO oo cn Ol Ol 1 cn cn Ol cn co VD VD lb lb lb

^1 CO M VD CO 00 vo cn oo cn on CO CO ^3 M to co cn 00 M VD o oo on M M on o vo CO ^3 ui M to on M o oo on vo o VD VD CO lb 00 00 VD co o 01 o o 00 vo to CO cn M n on vo o 00 00 Ul 00 lb 00 0 lb oo on on Ol 00 vo o oo o VD

OJ OJ oo OJ oo 00 oo 00 00 00 00 00 UJ Ul Ul Ul UJ l Ul Ul Ui Ul Ul Ul Ul UJ Ul Ul Ul oo oo 00 00 00 00 00 00 OJ oo 00 UJ 00

M M M M M M M M M M M M M M M M M M M M M M M M o o o o o O o o o o o o o o o o o o to IO to to CO CO M M M M M M M M M M M M O O O o O O vo VD VD VD VD vo vo VD VD 00 00 CO CO CO CO 00 CO ^1

Ω Ω Ω Ω Ω Ω H. 1-3 hi cn cn cn CO CO CO Ω Ω Ω Ω Ω Ω Ω Ω Ω ES ES ES ES ES ES ES ES P P P P P P Ki Ki Ki Ki Ki j Ki Ki ES ES ES rs ts ts P P P P P P P P P ES ES IS ES ES ES ES IS G G G G G G 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 G G G G G G G G G β >-3 ι-3 P

O Ω Ω Ω Ω 2 O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω 3 O Ω O O Ω Ω Ω Ω 3 O Ω Ω cn Ω Ω Ω 3 O S CJ Ω 03 > EC ts LS CJ LS ϋ Ω 03 o Ω Ω

> Ω 03 > CS CJ Ω 03 > ES O Ω 03 M CO CO M M CO rs

M

to eo to CO to eo CO CO to eo eo eo CO eo CO to co CO M M M M M M M M M M M M M M M M M M M M M M M M

00 Ul lb OJ 00 oo M M CO eo oo oo M M CO CO M O vo vo co ^1 O 1 ] ^J lb 00 lb on ui ] o vo co oo vo 00 ^J ^1 cn 00

M 1 M oo on o 00 VD on lb on lb CO CO CO CO Ul M vo lb lb on VO on lb 00 M to M oo -J o o eo M VD ] 00 lb vo vo o

Ol M M CO on M 00 on oo on lb on ^1 O vo CO Ul M 01 OO M ui to J ] 00 to on -J VD Ul Ol o lb M 00 M ^J lb 00 CO VD

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

CO CO VO o M o CO M 1 oo co vo VD O o o o O co VD CO co VD o M M cn lb on lb 00 to oo oo 00 ~J on ui lb Ul to o

00 Ul M lb OJ on M M CO cn cn lb OO O M vo 00 CO M M 00 M M Ul to lb on Ul 00 -o 00 CO o M M CO M 00 ^J Ul 00 on on o 01 O CO on M M CO oo vo on M 01 on vo 0O 00 ui lb o 00 00 lb on oo 1 lb Ul CO ^J 00 to M lb vo Ul lb oo M on Ul lb Ul 00 OJ 00 00 00 00 to eo eo 00 to OJ oo oo 00 oo oo oo 00 OO oo 00 00 OJ oo OJ oo oo oo oo oo UJ CO to to to to to to o vo ] ^1 01 on on lb 1 CO o o CO O o CO 00 oo lb oo M CO Ul to on OJ lb lb lb J oo 0J M M M ^J oo VD VD vo VD vo o o CO ~J lb oo O Ol lb on lb cn VO O vo to lb CO o on M CO Ul VD o 00 lb on to on VD 0J vo Ol M Ul ~J 00 oo Ol M 00

M CO to lb ^J o o on CO oo 00 oo oo VD σi o M oo ^3 ] o to M M oo OJ on lb to M on lb o co 00 vo o Ul VD 00 lb CO

Ul Ul oo 0J Ul oo 00 oo oo OO oo oo oo UJ 00 00 00 oo 00 oo 00 OO OO oo oo OJ lb lb lb lb 00 00 00 J UJ lb lb lb oo oo 00 Ul cn cn Ul lb oo oo lb lb M to CO oo CO CO 00 00 lb on on on lb on Ul cn -J 1 M M M o VD oo oo 00 00 o M o vo 00 00 00 o o M M Ol vo ^ 00 lb o OJ O ui Ol eo vo 00 o lb on VO ^3 oo Ol Ul 0J to l oo Ul to M o o on M lb 00 on ^3 1 cn o CO VD CO VD O CO VD -J 00 1 eo 00 1 lb on VO CO lb on Ol vo vo M -J lb o 00 00 to lb CO cn M 1 vo vo on on Ul M M

CO CO OO UI OO OJ OO CO UI OO OO OJ OO CO OO OO OO UJ OO OO OO OO OO 00 00 oo oo OO OJ OJ UI UJ UJ UJ CO OO OO OO CO 00 00 00 M M M M M M M M M M M M M M M M M M M M M M M h^ ^ ^ ^ M M M M M M M M M M M M M M M oo co oo ^) ~J ~J ι cn cn cn cn cn cn cn cn on uι uι uι uι uι uι uι lb lb lb lb ib ib ib lb ib OJ OJ CJ OJ OJ OO Ul to to to

P P P Ω Ω Ω Ω > > > H H H H H H H H Ω Ω Ω Ω Ω Ω Ω Ω Ω < < < < < < < Ω Ω Ω κi κ; κ; c-^| P P P CΛ CΛ CΛ CΛ CΛ CΛ CΛ Cn P P P P P P P P P P P P P P P P P > > > P P P CΛ CΛ CΛ κ; κ; κ; κ; τJ TJ TJ TJ TJ TJ TJ TJ CS LS LS ES IS tS LS ES G G G G G G G G G P P P P P P P G G G

Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω 3 0 Ω Ω Ω Ω Ω Ω Ω Ω Ω O Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω 03 > > ti f 63 03 O Ω Ω 03 > to M > M M to ts ts J 63 03 > 63 63 03 ro M to M > ES to

CO oo 00 00 oo oo 00 oo Ul Ul 00 00 oo OJ oo 00 00 CO oo Ul 00 00 00 00 00 Ul 00 oo 00 00 CO eo eo eo CO eo eo CO eo CO CO CO

VO o M M lo oo lb lb lb on cn Ul on lb lb CO to vo o CO M CO M M M CO CO CO M o vo vo ^J ^1 cn on ^I ι on on on OJ o o lb ^1 CO ^1 M CO lb lb vo CO M vo M to 00 vo ^3 Ol ui M M VD o CO o M lb Ul vo M to oo oo lb eo o 01 01 o VO o ^3 VO O Ul M VD ^] on o ^1 o 00 oo ] CO n 00 on o O σi Ul O vo 1 lb on o lb ui M M o cn eo on on lb eo lb 01

M M M M M M M M M eo M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M oo 01 Ol on ui on Ol 00 ^1 o CO vo vo ^1 ^1 ^1 ^1 ι cn CO ^1 Ol on OO lb to o M CO to oo Ul Ul 00 on 00 00 CO CO O M ^1 eo co O lb VD ^3 M OO lb lb vo Ul eo cn M VD to 00 vo lb Ol on Ol CO lb o Ol ^1 vo lb on M vo 00 M 00 1 ~J ui on lb o

00 o o Ol co oo CO M o o on lb o oo o oi 00 lb M ] CO 00 vo CO M on CO 00 o lb vo o CO to CO lb ^j 00 oo M lb co lb lb lb lb lb lb lb lb lb OO 00 oo oo oo oo oo oo oo oo oo oo oo oo oo 00 lb lb lb lb 00 oo Ul Ul Ul 00 oo oo oo oo oo OJ OJ eo eo CO lb 00 eo M CO M ^1 CO CO vo vo CO vo CO lb on 01 Ol ^1 CO ^1 ^1 CO o M o vo co ! CO ] on Ul lb cn Ol on Ol CO on cn 00 CO eo vo O M OO cn CO lb ^1 vo CO on 1 on on o Ol cn M O 00 o on o lb eo lb Ul CO Ul 00 ^1 vo M lb on M vo on CO ^J 00 lb CO o lb OO CO M lb co oo o vo 00 on ~j lb oi eo lb on M on VD cn o oo CO lb lb lb 00 on on OO lb ~j 00 oo oo oo oo OO 00 oo OO Ul OO oo 00 oo OJ 00 OJ oo 00 oo oo 00 oo 00 00 oo OO oo 00 00 oo oo oo Ul 00 Ul oo oo 00 Ul oo 00 00 oo vo CO CO 00 CO 00 00 00 1 j ] ] ] -o on on on eo J lb lb lb lb oo lb VD CO CO cn on lb l to Ul CO eo co CO CO OJ 00 on

M o CO ^J on lb M M CO VD eo CO Ul oo CO to lb vo CO 00 00 ^1 lb ^J M to ~J o vo o CO Ul ^J M lb 00 00 00 VO o lb o

^J 00 VD 1 J M oo VD CO M lb 00 Ul M vo CO to M M o o to M on cn o on o lb M o cn eo on lb lb o vo o on ^1 vo

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P Ω Ω Ω Ω Ω Ω Ω Ω Ω ^3 ι-3 ¹-3 ι-3 ¹-3 H P3 1-3 ^3 ι-3 1-3 1-3 P P P P P P P P P P P P P P P Ki Ki Ki Ki i Ki Ki EC EC EC EC EC EC EC Ki Ki Ki Ki Ki ω P P P P P P P 3 3 3 3 3 3 3 3 3 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 CO CO CO cn cn cn

2 O Ω Ω Ω Ω Ω 3 O Ω 3 O Ω Ω Ω Ω 3 O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω Ω O Ω Ω 2 O Ω 2 Ω Ω Ω Ω Ω 03 ES LS to M to M σ Ω 03 > EC ts rs O IS J Ω 03 > Ω Ω 03 LS to M M M > α Ω

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338 ILE CGI 17..28 29..31 12,.67 39,.55

338 ILE CDI 17. .97 28. .16 11, .97 39, .80

338 ILE C 14. .45 29. .14 11, .86 40, .18

338 ILE 0 14. .48 27. .95 12, .17 40, .26

339 HIS N 13, .53 29, .98 12, .32 40, .99

339 HIS CA 12. .46 29, .52 13, .21 42, .19

339 HIS CB 12. .62 30. .12 14, .61 43, .10

339 HIS CG 11. .60 29, .63 15, .60 44, .17

339 HIS CD2 10. .38 29, .07 15, .42 44, .19

339 HIS NDl 11. .80 29, .68 16, .96 44, .57

339 HIS CEl 10 .75 29 .18 17 .58 44 .86

339 HIS NE2 9 .87 28 .80 16 .66 44, .91

339 HIS C 11 .12 29 .95 12 .59 42, .51

339 HIS 0 10 .71 31 .10 12 .71 42. .63

340 ALA N 10 .45 28 .99 11 .96 42, .76

340 ALA CA 9 .19 29 .23 11, .27 43, .29

340 ALA CB 8 .96 28 .12 10 .25 43, .34

340 ALA C 7 .92 29 .41 12, .11 43, .86

340 ALA 0 6 .93 29 .94 11, .61 44. .13

341 GLY N 7 .94 28 .99 13 .37 44, .22

341 GLY CA 6 .75 29 .18 14, .19 44, .61

341 GLY C 6 .43 28 .09 15, .20 45, .03

341 GLY 0 5 .87 28 .38 16, .27 45, .24

342 LYS N 6 .77 26 .85 14, .88 45, .03

342 LYS CA 6 .52 25 .74 15, .80 45, .18

342 LYS CB 6 .10 24, .49 15, .03 45, .60

342 LYS CG 4 .72 24, .58 14, .39 46, .10

342 LYS CD 4 .33 23, .25 13 , .80 46, .59

342 LYS CE 2 .95 23, .30 13, .17 47, .07

342 LYS NZ 2 .62 22, .01 12, .50 47, .39

342 LYS C 7 .76 25, .44 16, .63 45. .11

342 LYS 0 8 .87 25, .35 16, .10 45. .10

343 THR N 7 .57 25, .28 17, .93 44, .78

343 THR CA 8 .67 25, .00 18. .84 44, .60

343 THR CB 8 .65 25, .95 20, .04 44, .80

343 THR OGl 7 .52 25, .68 20, .86 45, .07

343 THR CG2 8 .58 27, .40 19, .58 45, .03

343 THR C 8 .58 23, .57 19, .36 44, .37

343 THR 0 7 .50 23, .07 19, .67 44, .07

344 VAL N 9 .74 22, .92 19, .45 43, .84

344 VAL CA 9 .82 21, .55 19, .96 43, .15

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M to CO M ^1 ] vo l -o Ol M lb cn ~j lb on -J cn on oo on -J M oo o Ul CO 1 CO O CO VD cn VD Ol to Ol -j ^3 cn Ul Ul

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M cn ] M o VD cn M to o Ol Ol on 01 00 on co CO M 00 o cn 00 vo on 00 CO ] lb oo CO o 00 lb ^ ^1 ^1 01 VO vo oo Ul

OJ cn M CO o VO on 1 1 o O eo -J 00 cn lb 00 CO M 00 M to 01 00 vo 00 ^3 lb on M vo M oo o lb ^1 en M on on VD VD lb lb lb 00 00 00 oo oo 00 oo Ul 00 00 l 00 00 OJ OJ OO 00 OO 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

OJ OO CO VO co Ol lb on on Ol -o ~J Ol ^3 1 co co CO VO vo VD vo o M M vo vo vo oo ^J ui UJ CO 00 00 oo lb lb oo lb lb on

00 eo co oo o oo 00 o Ul 00 oo eo Ul lb to o to Ul ^3 ^1 ui to o lb M to co eo lb 01 co M ^1 Ol 01 ^1 01 lb 00 lb to 00 o to lb ^1 cn oo vo lb ^1 OJ 00 00 vo o oo to

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul Ul l Ul Ul OJ OJ 00 oo oo

O O O O O O O O O O O O O O O O o O O O o o o O o O o o O O o O vo vo vo vo VO vo vo vo VD vo oo 00 Ul Ui J CO CO CO CO CO CO to CO M M M M M M M M M M O o o o O O o o o VD vo VD vo VO vo vo 00 00 00

P P P P P P P P P P P P P EC EC EC EC EC EC EC EC EC EC P P P P P P P P P ι-3 ► ^►3 ¹-3 ι-3 ι-3 ES > ts ES t ts ts ts LS LS LS LS LS LS H H H H PH H H H PH H Ki Ki Ki Ki K; Ki Ki > > EC EC EC EC EC EC EC 33 33 33 G G G G G G G G G G G G G cn cn cn CO cn cn cn CO O CO CO CO co CO cn cn cn n cn 33 33 33 33 33 33 33 Ω Ω Ω

Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 3 O Ω 3 Ω 3 Ω Ω Ω Ω 3 3 Ω Ω Ω Ω 3 O Ω Ω 3 O Ω 3 O Ω 03 O Ω 03 > ES LS J CJ Ω 03 It- o Ω Ω ts ts 03 > o Ω Ω

> CJ Ω Ω 03 M eo M eo M M to α Ω CO M > EC

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M M M M to to CO eo CO to CO to to to to ro to CO CO CO to to ro M CO M M M M M M M M M M M M eo CO CO CO CO Ol Ol 00 VD o to M 00 lb to CO CO CO t to on cn on cn lb oo to M VO o Ol CO CO 00 vo vo VO VD 00 vo VD o M eo eo oi

CO CO o lb Ul o ^1 o M vo VD CO cn 01 CO to M o vo co lb 00 CO M M Ul 00 CO ^3 o on 00 M M oo OO oo lb CO on lb on o M o Ul o Ol 01 00 ^1 vo vo Ol M lb lb Ul vo M CO VO ro OO to o VD cn on lb Ul VD o VD ^3 CO lb vo oo

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Ol 01 Ol to on oi o 00 oo on o ] o eo 00 ^J vo 0J ^1 Ol lb o vo o o lb vo 00 lb ~J 00 -j cn vo -J M o 00 M Ul 1 ι lb Ol lb lb CO M J ι eo oo OJ lb 00 M CO CO M vo 0J ^3 o vo M 00 on CO Ul o oo 00 cn vo o eo ^1 VO on on Ol M Ol lb VO UJ o on eo on eo eo o eo eo eo to CO CO to to eo CO eo eo CO CO eo eo to to co eo to CO oo 00 00 OO eo eo eo eo Ul Ul Ul Ul UJ Ul 0J oo lb ι oo ^1 1 ! cn cn ^1 o ^J Ol Ol ! Ol ^1 oo oo oo oo oo ] _^) ^3 ^J 00 oo to M o vo 00 vo vo o o o o o eo eo Ul 00 to oo oo 00 00 M on 01 Ul lb oo on lb o 01 vo oo lb co vo on -o. co eo M o on O ~0 on co ui en co co cn co cn oo vo o lb on

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

O o o o o O O O o O O O O O O O O O o o O O O O O O O O O O o o O O O O O O O

00 00 oo 00 00 00 00 oo ^1 ! ^J ] o ^3 ^ ! 01 on 01 01 01 Ol 01 en on ui Ul Ul ui on ui lb lb lb lb lb lb lb lb OJ 00 00

Ω Ω Ω Ω Ω Ω Ω Ω > > > H H H H H H H H > > > > > > > P P P P P P P P P P P in C > > Λ cn cn in cn in ω > P P P P P P P P in cn in cn i >n cn cn cn ts LS LS G G G G G G G G 3 3 3 3 2 2 2 2 ES LS ts LS LS LS ts LS P P P P P P P 2 2 3 2 2 2 3 3 G G G

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CO CO eo to to to eo to M M M M M M M M CO to CO eo M to CO eo eo CO to co to eo to to CO M M M eo CO CO M M M eo to 00 eo M CO M o vo vo Ol en σi -J 00 vo o o o M vo o M eo 00 CO Ul on lb oo eo M M VO CO VO o O o vo VO ui eo 00 vo ^3 ] 0J lb on M u to lb ! co ^J on Ol Ul vo Ul CO cn lb o M 00 00 Ul Ol lb OO M UJ CO lb on ^3 CO o to Ul ui lb on Ol -O cn VD CO vo M o lb o CO CO 00 Ul o M M CO M to to 00 vo oo 00 vo o lb CO ^J CO lb O ui M o ^1 Ol ^J ui

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U\ lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on on Ul lb lb lb lb lb lb

M -J 01 01 on lb 00 oo M CO 01 lb on lb 00 lb CO 0J Ul lb 00 lb lb on lb on oo Ul Ol Ol J Ol 1 o o VO 00 00 Ol ^1 vo

^J on o 00 eo M o on CO vo OJ on M 1 cn M M Ul ib ] o 00 o CO o M M 00 VD lb lb UJ Ul ι o lb ui lb 00 CO VD M ] OJ lb ui on M M to Ul o -J o vo eo o 00 lb lb Ul OJ CO o o M 00 lb o o lb ^1 Ol CO o o eo Ol CO o eo M - to

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O M M M o o o M M CO 0J lb 00 to 00 lb lb lb VD 00 -J ~0 on on oo lb 00 lb lb OO 00 eo to M M M eo eo lb lb Ul 01

00 eo M o ! o on on on o M lb lb on M M on -J lb to on M 00 eo J CO VD VD cn ^ Ol M VD 00 on cn M vo oo VD to Ol

_^! O VD Ol lb on CO vo -J oo VD CO -J lb on Ol -O vo o lb lb to 00 vo on -J 00 o Ul on VD co eo 0J 1 vo O ι cn 1 Ul ^J

CO OJ 00 00 eo eo CO to to eo to CO CO CO eo eo to to CO eo eo CO CO to to ro to CO eo o to CO CO CO eo CO CO eo to co CO CO

^J M M o vo CO o Ol Ul on -J en O Ul Ul on lb Ul lb lb lb lb on Ul on Ul cn cn en Ol 01 on Ol -o ! ^J cn cn cn ! ] CO

O CO to 00 *. M M ui CO 00 00 lb 01 CO CO M VD M to cn lb ] o lb 00 Ul lb o CO o lb CO on o VD o ι ^1 cn M o !

-~3 vo CO to 00 VD CO lb 01 on CO on o o 00 lb ] M ui 00 oo co 1 lb to lb to eo M M M lb eo J M vo eo lb Ol to o co

408 GLU 0 22..33 40..83 0..08 26..87

409 ASN N 22. .84 41. .78 2. .05 27. .03

409 ASN CA 23. .70 40. .69 2. .47 27. .02

409 ASN CB 24. .89 41. .26 3. .25 26. .87

409 ASN CG 25. .82 42. .06 2. .39 27. .20

409 ASN ODl 26. .71 41. .52 1. .75 27. .53

409 ASN ND2 25. .61 43. .38 2. .35 27. .42

409 ASN C 23. .08 39, .56 3. .28 26. .86

409 ASN 0 23, .54 38, .42 3. .20 26. .94

410 PHE N 22, .05 39, .85 4. .05 26. .58

410 PHE CA 21. .47 38. .81 4. .88 26. .83

410 PHE CB 21. .74 39. .15 6. .35 26. .46

410 PHE CG 23. .17 39. .57 6. .62 26. .44

410 PHE CDI 24. .22 38. .69 6, .35 26. .32

410 PHE CD2 23. .46 40. .84 7. .10 25. .90

410 PHE CEl 25. .56 39. .09 6. .55 25. .80

410 PHE CE2 24. .79 41. .24 7, .30 26. .11

410 PHE CZ 25, .84 40, .37 7. .03 25. .40

410 PHE C 19, .99 38, .53 4. .68 27. .11

410 PHE 0 19, .53 37, .42 4. .94 27. .03

411 GLY N 19, .24 39, .51 4. .19 27. .38

411 GLY CA 17, .82 39, .29 4 .02 27, .63

411 GLY C 17, .25 38, .98 5 .40 27, .90

411 GLY 0 17, .50 39 .73 6 .34 28, .58

412 THR N 16 .50 37 .90 5 .53 27, .75

412 THR CA 15 .92 37 .55 6 .83 27, .93

412 THR CB 14 .49 36 .97 6 .69 27, .89

412 THR OGl 14 .49 35 .89 5 .75 28. .02

412 THR CG2 13 .52 38 .05 6 .22 28, .50

412 THR C 16 .77 36 .55 7 .62 27, .64

412 THR 0 16 .33 36 .03 8 .64 27. .69

413 LEU N 17 .98 36 .29 7 .13 27 .31

413 LEU CA 18 .90 35 .37 7 .80 27 .02

413 LEU CB 19 .90 34 .79 6 .80 27 .06

413 LEU CG 19 .35 33 .89 5 .70 27 .24

413 LEU CDI 20 .45 33 .62 4 .69 26 .88

413 LEU CD2 18 .82 32 .59 6 .29 26 .88

413 LEU C 19 .66 36 .12 8 .89 26 .63

413 LEU 0 19 .87 37 .32 8 .79 26 .87

414 ALA N 20 .08 35 .40 9 .93 26 .14

414 ALA CA 20 .80 36 .02 11 .04 25 .90

414 ALA CB 20 .84 35 .08 12 .23 24 .97 414 ALA C 22..22 36..44 10..66 25.,60

414 ALA 0 22. .82 35. .88 9. .75 26. ,07

415 PHE N 22. .74 37. .45 11. .35 25. .67

415 PHE CA 24. .09 37. .93 11. .11 25. .37

415 PHE CB 24. ,10 39. .12 10. .14 24. .86

415 PHE CG 23. .23 40. .28 10. .58 25. .13

415 PHE CDI 21. .86 40. .27 10. .33 25. .24

415 PHE CD2 23. .79 41. ,38 11. .22 24. .98

415 PHE CEl 21. .06 41. .35 10. .70 24. .87

415 PHE CE2 23. .01 42. .47 11. .60 24. .66

415 PHE CZ 21. .63 42. ,46 11. .34 25. .25

415 PHE C 24. .69 38. .33 12. .44 25. .32

415 PHE 0 24. .02 38. .26 13. .47 25. .28

416 CYS N 25. .95 38. .75 12. .43 25. .11

416 CYS CA 26, .60 39. .19 13. .65 25. .02

416 CYS CB 27, .49 38. .08 14. .22 25. .21

416 CYS SG 28, .87 37. .59 13. .16 25. .05

416 CYS C 27, .44 40. .44 13. .35 25. .30

416 CYS 0 27. .63 40. .80 12. .19 24. .92

417 ARG N 27, .91 41. .11 14. .40 25. .25

417 ARG CA 28. .71 42. .32 14, .20 26. .16

417 ARG CB 29. .14 42. .91 15, .54 26. .59

417 ARG CG 28. .01 43. .30 16, .45 28, .32

417 ARG CD 28 .56 44, .18 17, .56 29, .20

417 ARG NE 27 .63 44, .26 18, .66 30, .79

417 ARG CZ 27 .83 45, .00 19 .75 31, .02

417 ARG NHl 28 .93 45, .73 19 .87 30, .90

417 ARG NH2 26 .91 45, .00 20 .70 31, .87

417 ARG C 29 .94 42 .06 13 .36 25 .95

417 ARG 0 30 .29 42 .87 12 .50 26 .15

418 ARG N 30 .62 40 .94 13 .61 26 .25

418 ARG CA 31 .82 40 .60 12 .85 26 .66

418 ARG CB 32 .38 39 .23 13 .26 27 .18

418 ARG CG 33 .21 39, .24 14 .54 27, .68

418 ARG CD 33 .88 37 .89 14 .80 27 .91

418 ARG NE 32 .92 36 .79 14 .91 28 .49

418 ARG CZ 32 .67 35 .90 13 .96 28 .07

418 ARG NHl 33 .32 35 .95 12 .80 27 .11

418 ARG NH2 31 .76 34 .95 14 .16 28 .50

418 ARG C 31 .57 40 .60 11 .35 26 .42

418 ARG 0 32 .41 41 .04 10 .58 26 .10

419 TRP N 30 .40 40 .11 10 .94 26 .33 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb to to eo to eo to to eo to eo eo CO CO CO CO to co eo to CO CO CO CO CO to ro ro CO co M M M M M M M M M M M M M

00 00 eo CO CO CO to eo to to CO to CO M M M M M M M M o o o o o o o o VD vo vo vo vo VO VD VO O VD VO vo VO

P P

IS rs 31 l > > > > l > > > > > > > > > > P P P P P P P P H H ¹-3 H H H H H H ι-3 ^|-3 H H

33 33 33 33 ^•pa ^•pa 3J 3J ^•pa 33 tn tn cn m cn O tn cn rs t rs rs rs t rs ts 33 33 33 33 33 33 33 33 33 33 33 33 33

G G 63 63 63 63 63 63 63 63 63 63 63 TJ TJ TJ TJ TJ TJ TJ TJ G G G G G G G G J TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ J TJ

Ul oo Ul oo oo 00 00 oo oo 00 oo oo oo oo oo oo oo 00 oo 00 oo 00 Ul to CO CO CO co eo co CO CO eo eo 00 00 CO CO eo CO CO 00 M to lb 00 UJ eo 00 oo 00 oo Ul 00 00 lb 00 oo to 00 0J to M o o cn Ol on CO vo vo vo VD ^J on 00 o o cn VD CO VD CO o

00 Ul to on Ol o CO vo on vo lb vo oo CO on lb lb M ^J 00 Ul vo Ol CO 00 VD lb eo ui ^J M oo lb 00 lb VD o CO M 00 o ^1 oi oo lb Ul o M lb o 00 CO en M oi Ul CO 00 oo M on lb CO on o vo CO eo 01 on M o 0O OJ vo vo 01 oi lb lb lb lb U) oo oo oo 0J lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo OJ 00 00 00 00 00 00 J oo lb lb oo to to Ol CO 1 00 o o to eo lb lb Ul ui lb lb lb lb on lb lb lb lb lb 00 CO M M lb on lb on cn ui cn vo o ro on oo vo vo oo Ol on o CO to VD vo CO VD 01 cn CO M M lb lb vo M on lb on lb o M M J M lb 00 on Ol M o on 00 vo Ul M on Ol oo ui o oo CO on VD lb CO CO lb 0J 00 00 CO to oo on Ol 01 M M 00 eo Ol M CO lb lb VD cn 1 eo on

M M M M M M M M M lb cn on on oo lb lb on Ol Ol ^1 -J 00 00 00 Ul eo to M o o 00 vo vo M o o VD VD J CO vo vo vo vo vo VD vo vo VO vo VD

CO o o o eo M CO oo Ul to lb 00 on M oo Ol -o O CO o M M M M on lb oo oo vo oo o on VD 00 o lb on OO on on lb oo cn on 00 Ol M Ol M 00 lb o M to 00 lb vo vo eo ^1 on M ^J lb CO M o CO Ol Ol CO 00 oo o M CO o to oo 00 00 00 00 oo oo oo 00 oo oo 00 00 00 00 UJ 00 oo CO to eo co to eo to CO to to eo co to to CO CO CO to eo to CO to CO to to IO M to oi Ol Ol lb lb 00 CO M o o o M o VD vo 00 1 1 cn Ol 01 Ol ^1 cn Ol cn Ol Ol Ol on cn cn 01 Ol 01 01 Ol to M lb CO Ol to vo ui M M OJ CO lb cn o Ol 00 00 to CO vo vo vo 00 o CO VD lb oo 01 00 o 00 00 oo CO oo lb on 00 M oo o M CO oo to OJ lb lb lb 00 01 00 on 00 o CO M vo IO VD VD 01 o co M CO vo lb oo lb M on CO on

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Φr lb lb lb lb lb lb lb lb lb lb eo eo t to to eo CO CO CO ro eo to ro ro to CO ro CO CO CO CO CO to CO CO to CO to CO CO CO CO CO CO CO CO CO eo eo CO CO to

00 00 00 00 00 CO CO 00 ^1 ^1 ^j ^1 ^1 -J o ^1 ^J cn en en en cn 01 ui Ul ui Ul Ul Ul ui ui Ul lb lb lb lb OJ oo oo oo Ul Ul

H >-3 H H H >-3 H ι-3 P P P P P P P P P cn rn rn CO cn rn Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P

Ki j κ| Ki Ki Ki Kj Ki Kj Ki Ki Ki Ki Ki rs rs rs rs ts IS P P P P P P P P P P P P P rs rs ts rs IS rs

33 33 33 33 33 33 33 33 CΛ CO CO cn cn cn cn cn CΛ 33 33 33 33 33 33 G G G G G G G G G Ki Ki G G G G G G

Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω 2 Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω 2 Ω Ω O Ω Ω Ω Ω Ω 2 Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω ers J o CO r Ms fl 63 03 > ts ts ti 63 03 63 03 > ts

M CO t Ms CJ 63 03 > > O O 63 03

CO M

eo to eo eo o to eo eo co eo UJ 0J OO oo oo Ul 00 00 Ul Ul 00 00 00 00 00 CO CO CO CO CO oo 00 oo 00 00 oo 00 00 oo CO CO 0J vo VO 00 ^1 ^J CO 00 00 lb lb CO CO o O M O M Ul 00 CO M to M oo oo oo CO vo M M oo t 0J 00 M co o 00 vo o vo CO CO lb VD M M lb oo vo lb M Ol Ul oo lb to on CO Ol cn M cn o cn CO Ol co Ol o VD M vo co to VD 00 o eo --3 oo o lb o on ^J 00 00 VD M oo 01 lb lb M to CO co on cn Ol M 00 o ^J lb oo cn CO on cn lb M M o O on co o CO lb

UJ

VO lb lb lb lb lb on on Ul on on on on Ul on on on on on on Ul on on on lb lb lb on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb 1 CO ^1 00 00 o M M 00 to cn Ol lb lb 0J to eo CO CO M o o co vo vo o vo 00 CO CO ^J VO CO ^J Ol Ol on CO CO to lb

Ol M M VD M oo on 00 vo cn lb M CO Ul M M cn o Ul lb vo lb 00 eo lb OJ Ul o eo CO vo cn lb lb O on ^J 00 o 00 eo ui o on VD vo cn 00 VD o o vo on VO CO cn on on o co 0J vo M o o ^1 ui oo cn ui eo CO O ui o M 00 00 on UJ

M M M M M M M M M M M M M M M M M M M M M M CO M lb 00 to M CO oo eo oo M to to oo OO OJ to o M VO o o VD O vo lb Ol 01 on co -J ^) Ol cn ui ui oo lb 00 lb lb lb lb VO o lb lb VD vo CO on o lb lb M o lb 00 ^1 lb CO vo cn O eo CO o CO M vo M to lb 1 01 o CO cn co O Ol M ^J on M M VO to Ul o Ol ^J CO oo Ol M Ul VD CO cn o M O on Ol vo eo o o oo on M M co Ol vo eo vo M M

00 oo 00 00 00 OO 00 oo oo oo lb lb lb lb 0J 00 00 oo 00 00 oo 00 oo 00 00 oo 0J Ul 00 00 oo 00 oo OO 00 00 00 00 00 oo 00 J on on 01 on on on on on 00 ^1 00 0J CO M VD 00 ^1 ^1 cn cn on ui on 01 Ol on on on on lb oo oo oo oo CO CO M M M M

CO vo oo vo o en 00 on 00 vo M OJ o lb M ^3 to o o ^1 CO t lb M Ol M CO lb o eo o CO 01 O lb on on M 01 VD CO oo o M vo oo on lb on Ol oo o Ol on lb lb M o vo 00 on o o 00 M M lb o vo CO M lb O CO 00 o on on on

428 TYR CZ 29..46 46,.88 13..52 36,.48

428 TYR OH 30, .21 45, .87 14. .07 37, .08

428 TYR C 26. .26 50. .92 14. .10 35. .14

428 TYR 0 25. .07 50. .64 13. .93 34. .58

429 LEU N 26. .85 50. .90 15. .28 34. .51

429 LEU CA 26. .14 50. .50 16. .48 34. .53

429 LEU CB 27. .07 50. .56 17. .70 34. .96

429 LEU CG 28. .14 49. .48 17. .71 35. .66

429 LEU CDI 29. .11 49. .74 18. .84 35. .94

429 LEU CD2 27. .47 48. .12 17. .86 36. .17

429 LEU C 24. .87 51. .28 16. .77 34. .25

429 LEU 0 23. .83 50. .70 17. .10 33. .95

430 MET N 24, .94 52. .60 16. .67 34. .06

430 MET CA 23, .76 53, .42 16. .93 34. .22

430 MET CB 24, .13 54, .91 16. .95 35. .36

430 MET CG 23, .07 55, .79 17, .58 36, .46

430 MET SD 22 .60 55, .19 19, .21 39, .18

430 MET CE 24, .02 55, .69 20 .21 38, .20

430 MET C 22, .71 53. .14 15, .86 33. .55

430 MET 0 21, .52 53. .09 16. .14 33. .67

431 ALA N 23, .17 52, .95 14, .62 32. .94

431 ALA CA 22, .27 52. .66 13 , .51 32, .39

431 ALA CB 23, .05 52. .64 12, .20 32, .48

431 ALA C 21. .59 51, .31 13, .75 32, .04

431 ALA 0 20. .39 51. .15 13, .54 31. .98

432 LEU N 22. .38 50. .33 14, .20 31, .34

432 LEU CA 21. .86 49. .00 14. .47 31, .36

432 LEU CB 23. .00 48. .05 14. .84 30, .80

432 LEU CG 22. .65 46. .58 15. .07 30, .94

432 LEU CDI 21 .88 46. .01 13 .87 30, .15

432 LEU CD2 23 .92 45. .78 15 .33 29, .94

432 LEU C 20 .82 49 .06 15 .60 31 .56

432 LEU 0 19 .80 48 .37 15 .57 31 .38

433 LYS N 21, .09 49, .89 16, .61 31, .86

433 LYS CA 20, .18 50, .05 17, .73 32, .39

433 LYS CB 20, .81 50, .95 18 .80 32, .94

433 LYS CG 19, .88 51, .36 19 .95 34, .08

433 LYS CD 20 .65 52, .03 21 .07 34, .33

433 LYS CE 19 .73 52, .73 22 .07 35, .30

433 LYS NZ 18 .80 51, .79 22 .75 35. .70

433 LYS C 18 .85 50, .65 17 .28 32. .61

433 LYS 0 17 .79 50 .29 17 .79 32 .91 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo 00 oo oo 00 oo oo 00 OJ oo oo UJ UJ Ul Ul Ul Ul UJ Ui UJ l 00 J oo oo OJ OJ OJ OJ OJ vo VD vo vo oo 00 CO 00 00 oo oo 00 ~J ! -j ] o -J ^1 ^1 cn Ol 01 σ Ol Ol on on on on

Ω Ω Ω Ω P P P P P P P P > > > > > > > Ω Ω Ω Ω Ω Ω P P P P P P P P ts t t ES ES rs ts LS CO cn cn >ω ω cn ω cn Ki Ki Ki Ki Ki ts LS LS LS

Kj ; G G G G G G G G TJ TJ TJ TJ TJ TJ TJ TJ cn cn cn in CO cn G G G G

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M CO O M M 00 CO to CO 00 M to en ui on lb lb on lb Ul CO 1 Ol cn lb Ol vo

M lb O Ul lb on cn oo on M CO 00 vo Ul 1 to CO o o on 00 eo ^1 VD o o M 00 on CO lb 00 00 Ol vo o o o on o lb to o M Ul 00 -J 00 00 oo on cn Ol on oo lb lb lb lb lb lb Ul on Ul on on on Ul Ul Ul Ul on on lb lb lb lb lb lb lb lb lb lb lb lb lb on on J 00 00 to CO CO o o o o o to o M M vo vo Ul on CO _^J 00 VD oo oo oo lb ^3 00 vo ui CO M o o o to 00 CO OJ VD M to 00 cn M o IO 00

M Ul on CO on lb vo co to eo 00 00 eo lb o 00 o o lb on 01 CO ^1 ui vo o ^3

M M M M M M M M M M M M M M co co to M M M M M M M M M M M M M OO lb on Ul lb on lb CO lb lb on cn CO o o o 00 00 ^1 1 Ol Ul lb lb o o oo M on on M o o o 00 00 M 01 M CO o vo Ul 00 ^3 Ul M CO ^J lb cn Ol lb 03 on O CO cn oo oo o lb ^3 CO CO oo 00 o CO o eo lb VD 0J o vo o ^J oo Ol CO Ol

OO OO OO OO 00 oo 00 oo 00 00 00 OJ OJ 00 Ul OJ Ul 00 oo 00 oo Ul 00 00 00 OJ 00 Ul 00 OJ oo 00 oo lb on lb on on on on on on Ul ui Ol cn cn on lb lb 00 0J M CO eo M o M o o

CO o Ol lb eo VD cn cn vo oo o IO ^1 00 ui vo o oo vo o Ul eo lb M lb vo Ol CO CO o M o M on Ol 00 lb lb Ol vo CO lb M o to on to to Ul vo lb lb M CO CO M on J

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb _lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb OO OO 00 oo 00 oo 00 to to to to to to to to M M M M M M M o o O O O O O O

H H H ι-3 H >-3 ι-3 H >-3 >-3 H TJ TJ TJ TJ TJ TJ TJ > > > > > > > > < < < < < < < H H Pt H H H H H

Ki Ki Ki Ki Ki Ki Ki Ki Ki Ki Ki 33 33 33 33 33 33 33 CO tn cn cn cn CO CO m > > > > > > > P P P P P P P P

33 33 33 33 33 33 33 33 33 33 33 33 υ O υ υ υ υ υ TJ TJ TJ TJ TJ TJ TJ TJ P P P P P P P LS rs LS IS ES LS ES LS

O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2

EC ts ES D ts CJ 63 03 > 63 03 03 J 63 03 to ro >

M M α J CJ 63 03 ro M > 63 63 CO M > 63 M M eo l

CO to M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

M o lb on Ul on 00 oo vo vo vo CO ^3 VD CO Ol -3 t CO oo lb Ul Ul on Ul ^1 oo 1 Ul lb OO oo UJ to lb Ul CO ro

CO 00 on ~3 VD to ^J o eo Ul Ol cn Ul cn M 00 vo ui 00 M 1 vo 00 CO VD eo on on eo CO 00 oo vo vo M ui M on VD on lb Ul M lb Ul O M on M lb vo 00 00 eo o M CO cn Ul to M CO o VD M o CO o Ul M to o lb M lb on vo Ul o

00 00 00 oo 00 OO 00 00 00 oo 00 00 00 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb cn 01 Ol Ul on Ol Ol ^1 CO vo vo CO CO M eo M o M o eo M o M eo lb 00 lb oo lb lb on 00 lb vo oo cn 1 Ul Ol oo lb Ol on 00 00 on on 01 vo Ul CO cn to CO on cn 00 00 o o on co 00 00 on oo on ui o o 03 03 lb M on o vo lb

^1 ^J O Ol CO o ^1 lb M on lb ^1 Ol lb on VD o o Ul M o Ol CO cn lb o CO CO CO M lb lb o M lb lb o 1 o VD vo vo

CO CO M M M M M M M M CO M CO M CO M M M M M M M M M M M M M M M M M M M M M M M M M M o o 01 co oo 01 ^J 00 co o vo o vo o vo oo VD CO Ol ui 01 01 01 01 ui ui on M 00 00 0J M to o o vo M IO on VD lb O M on M to VD o lb CO on lb vo vo to 00 lb M Ul vo 00 -o Ol IO CO o 00 00 00 on to on CO M oo VD to o 00

M oo O M O M 00 on ui CO 01 o o vo 1 on 00 o M oo VD oo vo M ui vo lb o 00 VD 01 on OJ on Ol 00 ^3 M o ^1 VD

CO to OO CO CO CO CO to to CO CO CO CO co to eo ro CO ro ro eo 00 00 OJ oo ro OJ 00 OJ 0J oo oo 00 OJ oo Ul Ul OJ oo 00 oo 00 ^1 M VD vo vo vo o VD 00 CO CO CO VD VD vo o vo 00 00 vo M M o o vo o o o o o o o o o o CO CO M M M co

M O CO J on 00 CO lb on M Ul o o lb to CO M vo Ol CO lb M CO 01 eo Ul lb lb lb oo lb lb O CO lb OJ Ul ui lb M o M M M 00 vo lb M vo Ib M M M o Ul on M lb Ol 00 O Ol vo 00 ^1 Ol ui o on on vo lb lb on CO on ^3 00 M oo on

lb ib lb lb lb lb lb lb lb lb lb ib lb ib lb lb lb ib lb lb lb lb on on on on Ul Ul lb lb ib lb lb ib lb lb lb lb lb ib lb lb lb lb o O O o O O VO vo vo vo vo vo oo O -J l ^ j J oi oi oi oi oi oi oi un ui ui ui ui on ui

H H H H H > > > > > > > > Ω Ω Ω Ω Ω P P P P P P P P TJ TJ TJ TJ TJ TJ T3 13 T3 TJ 13 TJ T3 TJ

P P P P P P CO CO m in in CO co co Ki Ki κ| Ki rs rs is rs rs ES IS IS 3J 33 3J 33 33 33 33 33 33 33 33 3J 33 33 ES IS LS IS LS IS TJ TJ TJ TJ TJ TJ TJ O cn cn cn CΛ G G G G G G G G O O O O O O O O O O O O O O

Ω Ω 3 O Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω 3 03 > Ω 03 D Ω 03 > D

eo CO CO CO ro CO CO eo CO eo CO CO eo CO t eo to CO CO CO to to M M M co CO to ro O eo eo to eo CO CO eo CO eo to M CO

Ul OO M Ul 00 Ul lb Ul M M M CO eo l M CO on lb Ul CO t to VD 00 VO o M ro to CO on on 00 lb 00 M CO o M M VD o on 1 VD lb 00 M M Ul M on Ol on lb o 1 on CO on Ul on o lb o 00 00 on Ol ui 00 CO l to CO Ol lb lb CO o on vo 01 oo o VD Ul lb vo lb M o M 00 ] vo on M M M vo CO cn Ol on lb J vo M lb to Ul on ui vo lb 00 eo 01 co lb ro EO oo Ol o

UJ to u> CO CO eo CO oo eo 0J Ul CO to CO CO CO to Ul 00 00 00 oo OJ 00 00 00 00 00 OO oo oo OJ OJ 00 00 oo oo OJ Ul oo 00 00 00 oo oo

~J 00 VD vo o vo O o Ol ^J o •J vo VD M M OJ CO M to o M 00 M eo M to oo on lb cn on lb 1 01 Ul n CO CO ] CO _^) lb o oo on M on VO o O ! M co 0J VD ^1 o 0J 00 lb to -o 00 00 vo -j vo ~J to lb Ul eo to vo eo oo ui on cn oo vo 01 vo

M o o ^3 01 co O eo VO O -J on 00 J 00 co M lb vo 0J ^3 t on to cn o o 1 o en lb to vo M o vo o CO Ol M vo vo

OJ 00 00 00 00 00 Ul l Ul 00 00 oo Ul Ul oo oo to 00 ro to to to CO eo eo eo to CO to CO CO to to CO to CO CO CO eo eo CO eo

VD ^1 ] o Ol on UJ lb Ul on Ul eo CO M M M co o vo oo -J _^> on lb lb 01 01 on 01 on lb on lb lb lb 0J 00 lb lb oo CO eo

CO oo VD o lb 00 1 o Ol M vo vo VD ] cn M VD UJ vo vo to cn M vo o -o ] on ι CO M 01 M M on Ol BO CO M ^J M

O on VD vo UJ M ^ Ol -0 M vo -O 01 to OO co on to M on 00 o 00 eo CO UJ Ol vo M lb lb vo on oo oo to M on co o 00 cn

OJ OJ Ul oo UJ OJ Ul Ul oo 00 Ul 00 Ul Ul OO Ul oo l Ul to to to eo eo to ro to CO CO CO CO ro CO CO CO eo eo eo co CO CO eo lb 00 CO 00 Ul ro M M M to co M M M M o o o o vo vo vo vo 00 vo CO vo co oo co ~J ι ^1 ^3 o on 1 CO -0 1 1 1 on ~J VD 00 o lb cn vo on M to ^1 01 CO o CO Ol lb lb o ] ui M vo M 03 M Ul to M o on l Ol lb on oo CO 01 01 cn 01

CO •J Ul o M lb M vo M o Ol M CO J CO VD on CO lb oo ui CO -J -o M oo on -j vo vo M lb lb M Ol vo 01 on 00 lb lb M

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb |b lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

Ul Ul Ul Ul Ul ui Ul Ul ui ui Ul ui ui ui Ul ui ui ui ui ui Ul Ul on on on ui on ui Ul Ul Ul Ul on on on on Ul Ul ui ui ui Ul

Ol Ol Ul Ul Ul Ul ui Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb 00 oo 00 Ul 00 00 to to CO CO M M M M M M M M M o o

> β 1-3 ¹-3 1-3 ^3 ¹-3 ¹-3 ¹-3 hi ι-3 ι-3 1-3 H cn rn rn rn rn rn Ω Ω Ω Ω P P P P P P P P P H H P > »3

P EC EC EC EC EC EC EC Ki Ki i Ki ι Ki t rs rs rs rs rs P P P P Ki Ki Ki Ki HU ^Kj P P > > 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 Ki Kj Ki n cn cn cn CO ω cn cn ω ts LS

Ω 2 O Ω Ω 3 O Ω

>

ro co eo CO to eo ro to to eo CO oo oo oo OO Ul 0J 00 eo to eo CO to CO CO CO CO eo to CO CO to to Ul 00 oo eo to CO CO CO CO

Ul on ^3 cn lb on lb on cn Ul cn 00 CO M o to M o 00 ] o oo ] on on ~J ^J vo CO vo vo o 00 eo M o vo 00 ι Ol on Ul vo on on 00 lb co VD ^1 CO 00 00 CO M M M M M o vo vo ui lb ! lb on M CO lb vo Ul o on o Ul cn M 01 M on M vo lb

CO vo o cn M M ^1 ^J 00 vo M CO VD Ol to ] to vo CO vo o M lb M Ol Ol 00 1 on oi CO vo oo on Ol lb J lb vo OO M M

UJ to

-i eo eo CO CO to to CO eo eo co CO eo CO to CO CO CO CO to co eo CO CO CO CO CO CO eo eo to to CO CO 00 00 oo 00 oo Ul co CO o M co CO Ul on lb oo oo co oo oo 00 NJ M oo OJ CO CO Ul OJ Ul on on on on cn on on j CO vo o CO oo oo CO CO o o vo vo

CO Ul ^J lb O 00 OO M lb oo o eo o M 00 Ol OJ lb CO lb 00 vo O ] ι lb on oo lb en vo eo on lb on lb M O CO vo o vo

00 ui lb cn Ul to VD oo cn 00 eo vo CO ] vo M 00 ] M M ι eo vo -0 M 00 ι OJ 00 vo oo o vo on Ol CO on VD 00 M on vo

CO eo CO to oo CO to to oo 00 Ul oo oo oo 0 00 00 Ul Ul Ul oo oo oo oo 00 00 00 00 Ui oo 0J 0J oo OJ oo 00 00 00 00 Ul oo 0J on -j 1 co o CO VO vo o to M on on ui lb lb OJ Ui CO eo 00 00 lb lb on ui en 1 £31 ! en oo -j vo oo 00 --3 -J cn 01 on on lb Ol CO CO oo oo o lb lb M cn CO lb CO o M to on -o on CO cn to Ol on cn CO M VD on vo o cn co on on CO ^ VD VD -J 00 t lb oo 00 co ^1 ^3 M M Ol vo M o M ui lb M 00 00 on 00 o M Ul on ^1 on lb vo o lb to o 00 00 ^3 vo CO lb lb

CO eo CO eo CO to co CO eo CO CO oo 00 00 00 0J 00 UJ Ui CO to oo OJ Ul oo 00 00 0J Ul oo oo OJ oo 00 00 00 oo UJ oo OJ 00 oo σi Ol ^J ^1 -o 00 00 -J oo VO vo to M M M M o O O vo vo o O o M o M to to oo OJ lb lb vo oo 00 ! on lb lb OJ Ul

CO vo M CO VD lb on VO on M M o vo 00 M ] vo vo O on 00 to lb vo o VD lb o on o vo 01 lb ! VD M M on -J o o Ul on 01 ~J VD on oo lb 00 M 00 o o on M on lb 00 o 0J on -0 M o CO O lb CO CO Ul M on eo oo lb eo cn M vo o CO CO on

456 ALA CB 26..32 19..38 26..76 26.,73

456 ALA C 24. .84 20. .88 25. .41 27. ,04

456 ALA 0 23. .67 21. .07 25. .80 26. ,37

457 GLN N 25. .16 20. .69 24. .13 26. .85

457 GLN CA 24. .16 20. .73 23. .07 27. .53

457 GLN CB 23. .96 22. .18 22. .57 27. .18

457 GLN CG 23. .11 22. .32 21. .28 27. .92

457 GLN CD 23. .37 23. .63 20. .52 28. .02

457 GLN OEl 24. .48 24. .16 20. .55 27. .94

457 GLN NE2 22. .35 24. .13 19. .82 27. .56

457 GLN C 24. .46 19. .84 21. .86 27. ,82

457 GLN 0 25. .62 19. .69 21. .45 27. .46

458 PHE N 23. .41 19. .25 21. ,32 28. .02

458 PHE CA 23. .52 18. .43 20. .12 27. .98

458 PHE CB 23. .66 16. .94 20. .46 28. .32

458 PHE CG 25. .06 16. .56 20. .89 28. .71

458 PHE CDI 26. .07 16. .41 19. .96 28. .87

458 PHE CD2 25. .37 16, .46 22. .24 28. .51

458 PHE CEl 27, .39 16. .16 20. .36 29. .23

458 PHE CE2 26, .68 16. .22 22. .66 28. .80

458 PHE CZ 27, .70 16, .07 21. .72 28. .60

458 PHE C 22, .27 18, .73 19. .33 28. .32

458 PHE 0 21. .17 18, .80 19. .89 27. .24

459 GLU N 22. .45 18, .96 18. .04 28. .09

459 GLU CA 21 .34 19, .33 17, .18 28, .78

459 GLU CB 21 .22 20, .86 17, .16 29, .62

459 GLU CG 20 .31 21. .44 16, .08 30, .98

459 GLU CD 20 .14 22 .94 16, .22 32, .27

459 GLU OEl 21 .15 23 .64 16, .49 32, .88

459 GLU OE2 19 .01 23 .44 16, .07 32, .54

459 GLU C 21 .47 18 .80 15, .77 28, .59

459 GLU 0 22 .56 18 .72 15 .21 27, .80

460 HIS N 20 .33 18 .45 15 .20 28 .58

460 HIS CA 20 .26 17 .95 13 .84 28 .87

460 HIS CB 20 .14 16 .42 13 .81 28 .47

460 HIS CG 21 .46 15 .70 13 .78 28 .54

460 HIS CD2 21 .97 14 .74 14 .58 28 .25

460 HIS NDl 22 .41 15 .92 12 .80 28 .56

460 HIS CEl 23 .44 15 .12 13 .00 27 .91

460 HIS NE2 23 .20 14 .40 14 .07 27 .96

460 HIS C 19 .01 18 .54 13 .19 28 .97

460 HIS 0 18 .05 18 .90 13 .87 28, .89 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

Ol 01 01 Ol 01 01 Ol Ol 01 cn Ol Ol Ol 01 en cn on Ol 01 01 O 01 01 Ol 01 01 01 Ol Ol 01 O 01 01 cn 01 Ol 01 01 O 01 Ol Ol on on on on on on on ui ui on Ul lb lb lb lb lb lb lb lb 00 00 00 OO 00 oo oo CO eo CO to to CO CO CO M M M M M M M EC 33

O Ω 3 3 Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω O Ω Ω 3 EC EC ts ts O Ω 03 > d Ω 03 > O Ω 03 03

CO M CO α M CO O Ω 03 > > Ω Ω M σ Ω

M M CO eo M >

co o VD Ul to on oo 01 lb IO 1 vo o lb ^1 vo on on ] M vo -o cn o -J M M cn CO cn lb cn cn OJ O O 00 CO oo 00 vo o

^1 co oo 00 00 lb lb eo Ul VD O on o o oo 00 lb vo CO 00 cn 00 on ^J vo lb CO lb vo CO cn ^1 CO on M -o 00 to lb 1 CO Ul

UJ t

OS M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M to eo CO M M to CO o M M CO oo lb oo OO lb on lb lb cn on on on cn lb on 00 cn ^J 01 Ol Ol 00 ] on on on on cn 1 ^1 ~j o M o VO CO

M VO lb o to oo OJ M M 00 M on VO ~] cn o 00 eo o OO on cn ι M 00 Ul CO o o on lb OJ 1 Ol -J M vo on OO M M on

CO o Ul CO Ol oo O M VO lb -O 00 00 vo 00 vo oo eo -j CO lb o Ul o M o CO ^3 lb lb CO cn M eo ^1 O CO M σi 01 Ol

M M M M M M M M M M M M lb OJ O M M M to to 00 00 on on 01 o o VD 00 -J _^) Ol 01 on oo on on 01 ] O 00 eo M CO M vo O VO O vo o O M M 1 co M 00 M oo lb oo M 00 CO Ol o 00 on -j CO OJ CO 00 o oo CO CO lb CO 00 O vo on 01 M O vo on vo lb o on o M co on 00 lb to M o to M O on M on o on M on vo co σi Ul CO CO on M oi lb 00 -o CO CO M O O J 00 eo oi o lb M M ~J lb lb lb lb lb lb lb lb lb lb lb oo oo oo oo oo OJ 00 oo OJ J oo 00 00 00 oo oo 00 00 00 OO OJ OJ 00 00 00 oo CO CO to CO CO

CO CO lb Ul lb oo OJ CO M M o VD vo co CO CO 00 CO o -O on lb lb lb on on lb oo 00 00 00 lb OJ CO M o o vo o vo VO VD cn co M ib 03 Ul ib ui cn oo co lb lb vo Ul on vo co on o on o on co cn Ol to lb Ol co ^j lb lb oo lb on co co o vo oo cn co o σi on

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb lb lb ! ^J 1 ! ^■J -J ] 1 -J ] ] ~j 1 Ol on Ol Ol Ol Ol Ol on 01 O on cn cn on O on o o oi o Ol Ol o Ol oi O 01 Ol 01

M M M M o O O O O O O O O VD vo vo vo VD vo VD vo vo co co oo 00 co oo ] -J -O -J -J J ^J Ol Ol Ol Ol Ol Ol Ol

< Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P Ω Ω Ω Ω Ω Ω β ι-3 >-3 ι-3 ι-3 ι-3 ι-3 TJ TJ TJ TJ TJ TJ TJ

> P P P P P P P P P j Ki Ki Ki Ki Ki Ki Ki Ki Ki Ki EC EC EC EC EC EC EC 33 33 33 33 3J 3 33

P P P P G G G G G G G G G cn ω cn cn CΛ CΛ CΛ cn CO CO CO CΛ ω cn cn 33 33 3 33 33 3 33 0 0 0 0 0 0 0

Ω Ω Ω 3 O Ω O O Ω Ω Ω Ω 3 O Ω 3 Ω Ω Ω Ω Ω 3 O Ω cn Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 Ω CO > LS LS D Ω 03 ES Ω 03 > 63 63 03 Ω 03 > σ M eo M > ts α Ω 00 > to M >

M M M M M M M M M M M M M M M M M M M M M M M M M M M VO CO CO ^J Ol Ol 00 Ol 1 on Ul lb lb 00 M to M CO M M M O O CO M 0 VO co 00 ι vo 00 1 ^J on 01 on on 01 l ^1

00 on 0 M O eo lb CO CO O 01 lb O M lb on M CO 00 cn VO 00 CO en on 00 M UJ cn cn vo vo 00 lb 01 00 vo on 0 00 eo ^1 on on ^1 on on O on 00 O M to O M on ^1 O M M VD Ul 00 0 on M O CO cn cn CO CO 00 vo Ul vo CO 01 CO vo ^j

M M M M M M M M M M M M M M M M M M M M M M M M M M M 00 to 00 to lb 00 00 00 CO IO CO CO CO VD 0 VO VO M M O O vo M O vo CO CO vo l 00 CO vo 00 00 0 vo 0 00 eo CO OO CO

00 lb to lb eo 0 M 0 CO CO ui O O 03 CO Ol VO 00 Ul Ul VO CO 00 M O M VD CO M 00 00 M lb eo 00 01 VD lb M 00 vo 0 0 OJ lb 00 CO 00 M 00 M 0 00 00 Ol VD M 00 ^1 vo O ^ 0 on lb 0 lb vo cn on 00 CO oo vo 0 00 Ul M ~0 CO vo

M 0 vo 00 ^J -j 0J eo UJ lb on 01 -j -O ] 00 10 M 0 vo -J 0 on on 00 lb on lb 0O 00 0 0 0 to to 00 CO M M CO M eo on on 00 on ] 0 CO _^) Ul 00 lb CO CO ^3 Ol cn eo 00 00 OJ vo 0 ^3 0 VD CO CO O ^■J 00 00 vo vo M M Ul ^J CO 01 O -J

O 10 ι 00 ! ^j O ! co 00 00 00 0 Ol to on co 0 00 vo to -o M 0J M lb on ^3 00 vo cn ^1 to ui 00 co lb Ol to eo M on

00 00 00 00 Ul 00 00 UJ 00 00 ui 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

01 cn 01 ^1 CO CO CO VO 00 00 vo vo 0 M M 0 0 M M to to 0J lb lb Ol on lb Ul on Ul 01 01 on Ul Ul lb lb 00 lb lb OJ 0J lb lb lb lb lb lb 00 O ! 00 0 to 00 01 00 CO 00 CO ^■J 0 0 CO M M 00 0 CO 00 CO Ul 0 lb CO lb 0 ^J Ul -J O 0 on lb en 01 0 0 cn ^3 -J M ^1 0 ^■~J 0 M O on 1 01 -0 on vo ~J 0J M 0J ι on O O M VD CO 00 CO -0 en -J lb M on 01 to 00

471 VAL CG2 17..54 11..61 11..22 36,.62

471 VAL C 19. .15 13. .63 8. .39 35. .68

471 VAL 0 20. .22 13. .02 8. .34 35. .37

472 VAL N 18. .86 14. .66 7. .60 35. .02

472 VAL CA 19, .76 15. .14 6, .55 34. .40

472 VAL CB 19. .09 16. .32 5. .78 34, .73

472 VAL CGI 18. .95 17. .53 6, .69 34, .87

472 VAL CG2 19, .88 16. .66 4. .53 34, .47

472 VAL C 21, .18 15. .53 6. .96 34, .12

472 VAL 0 22, .12 15. .36 6 .18 33, .06

473 SER N 21. .34 16. .03 8. .19 34. .00

473 SER CA 22. .67 16. .44 8. .66 33. .96

473 SER CB 22. .54 17. .70 9. .52 33. .63

473 SER OG 21. .71 17. .48 10. .64 34. .33

473 SER C 23. .44 15. .37 9, .43 34, .22

473 SER 0 24. .52 15. .65 9. .97 33. .94

474 ARG N 22, .90 14. .16 9. .50 34, .14

474 ARG CA 23, .57 13. .07 10. .21 34, .60

474 ARG CB 22, .73 11. .79 10. .18 34. .31

474 ARG CG 23, .35 10. .61 10. .92 33, .88

474 ARG CD 23, .15 10. .73 12. .43 34, .18

474 ARG NE 21, .77 10, .46 12 .80 33, .68

474 ARG CZ 21, .24 10, .66 14 .00 34 .37

474 ARG NHl 21, .99 11, .16 14 .98 33, .41

474 ARG NH2 19. .97 10, .35 14 .22 33 .97

474 ARG C 24. .92 12. .78 9 .55 34 .90

474 ARG 0 25. .03 12, .82 8 .34 35 .03

475 GLY N 25. .94 12, .49 10 .36 35 .31

475 GLY CA 27 .25 12, .19 9 .80 35 .69

475 GLY C 27. .81 10. .96 10 .49 36 .13

475 GLY 0 27 .12 10. .33 11 .28 36 .08

476 ASP N 29 .06 10. .59 10 .19 36 .70

476 ASP CA 29 .67 9. .44 10 .85 37 .11

476 ASP CB 30 .87 8. .90 10 .04 38 .52

476 ASP CG 31 .94 9. .95 9 .80 39 .59

476 ASP ODl 32 .10 10 .85 10 .65 40 .14

476 ASP OD2 32 .63 9 .87 8 .76 40 .61

476 ASP C 30 .13 9 .86 12 .24 36 .57

476 ASP 0 30 .48 9 .01 13 .07 36 .71

477 ASP N 30 .13 11 .17 12 .49 35 .33

477 ASP CA 30 .53 11 .71 13 .79 34 .24

477 ASP CB 31. .09 13. .14 13 .64 34 .18 477 ASP CG 30..26 14..02 12..68 34..31

477 ASP ODl 29. .19 13. .59 12. .19 33. .75

477 ASP OD2 30. .71 15. .15 12. .41 34. .30

477 ASP C 29. .39 11. .68 14. .80 33. .70

477 ASP O 29. .54 11. .13 15. .89 33. .52

478 TYR N 28. .25 12. .27 14, .45 32. .58

478 TYR CA 27. .09 12. .25 15, .34 31. .87

478 TYR CB 27. .16 13. .37 16, .39 31. .26

478 TYR CG 27. .14 14. .79 15, .84 31, .28

478 TYR CDI 28. .29 15. .35 15, .27 31, .00

478 TYR CEl 28. ,27 16. .65 14. .74 31. .21

478 TYR CD2 25. .98 15. .55 15. .87 30. .88

478 TYR CE2 25. .94 16. .85 15. .35 30. .87

478 TYR CZ 27. .09 17. .39 14. .79 30. .90

478 TYR OH 27. .06 18. .67 14. .26 29. .77

478 TYR C 25. .80 12. .40 14. .53 31. .63

478 TYR O 25. .91 12. .78 13, .36 31, .42

478 TYR OT 24. .71 12. .14 15, .09 31. .33

601 HOH O 24. .84 52. .39 20, .57 47. .26

602 HOH O 12. .07 36. .86 12, .74 42, .98

603 HOH O 41. .62 31. .61 12, .36 34, .06

604 HOH O 14. .64 21. .96 33, .66 56, .24

605 HOH O 6. .69 24, .11 29, .02 48, .13

606 HOH O 33. .26 42, .17 22, .93 54, .55

607 HOH O 16. .89 8. .10 13 .81 47 .98

608 HOH O 19, .70 30, .48 35 .25 54 .42

609 HOH O 38, .38 35, .32 7 .96 46 .18

610 HOH O 28, .38 35, .27 40 .23 51 .05

611 HOH O 25, .56 53, .30 8 .28 38 .39

612 HOH O 19. .41 25, .50 -5. .57 44 .65

613 HOH O 26. .88 49, .94 0 .00 24 .87

614 HOH O 13. .07 57, .30 12 .22 61 .10

615 HOH O -0. .09 0 .85 14 .45 51 .85

616 HOH 0 36. .80 13 .81 -12 .59 64 .79

617 HOH 0 12 .88 40 .07 26 .11 63 .16

618 HOH 0 5. .62 0 .00 0 .00 24 .87

619 HOH 0 9 .73 31 .07 5 .05 43 .30

620 HOH 0 42 .24 8 .16 32 .80 53 .91

621 HOH 0 26 .70 26 .09 -9 .18 55 .54

622 HOH 0 -1 .32 2 .08 19 .74 70 .44

623 HOH 0 17 .28 4 .32 10 .38 59 .46

624 HOH 0 26. .32 45 .49 0 .69 55 .52 625 HOH O 0.07 6,.73 19.40 61..17

626 HOH O 35 .59 47, .18 9 .35 41. .12

627 HOH O -1. .45 7, .29 21 .50 58, .88

628 HOH O 3. .56 0, .71 11 .03 57, .78

629 HOH O 46 .21 39, .59 17 .52 62, .89

630 HOH O 14 .73 32, .94 25 .80 49, .55

631 HOH O 13 .23 41. .20 20 .64 47, .13

632 HOH O 33 .04 50. .34 14 .02 44, .84

633 HOH O 38 .14 15. .56 12 .71 40, .46

634 HOH O 45 .84 15. .80 29 .66 99, .40

635 HOH O 32, .58 12. .45 34. .60 39. .25

636 HOH O 41, .00 19. .12 17, .96 26. .64

637 HOH O 39, .02 19. .43 36, .12 53. .96

638 HOH O 28, .21 7. .75 29, .67 88. .38

639 HOH O 38, .11 13. .97 24. .67 70. .20

640 HOH O 32, .92 11. .65 32. .17 38. .75

641 HOH O 21, .28 17. .35 40, .64 57, .23

642 HOH O 30. .30 11. .47 35, .44 35, .38

643 HOH O 29. .73 24. .84 4, .58 65, .30

644 HOH O 42. .46 16. .71 25, .33 72, .70

645 HOH O 29 .44 7. .71 16, .36 71, .90

646 HOH O 34 .50 24. .99 39, .65 67. .68

647 HOH O 8. .86 23. .62 8, .64 41. .81

648 HOH 0 23 .69 4, .47 24, .62 66, .99

649 HOH 0 32 .86 8, .55 15, .28 86, .55

503 HOH 0 37 .07 20. .62 28, .27 24, .13

504 HOH 0 46 .43 26. .06 20, .73 23, .33

505 HOH 0 30 .15 39. .28 16, .14 21, .47

506 HOH 0 26 .85 28, .09 20, .52 24, .81

507 HOH 0 24 .38 37, .34 20. .76 25, .92

508 HOH 0 30 .24 31, .99 25. .75 28, .36

509 HOH 0 15 .11 26, .40 5. .21 34, .67

510 HOH 0 34 .38 15, .52 27. .81 30. .56

511 HOH 0 37 .49 30, .58 27. .95 29. .47

512 HOH 0 0 .65 6, .07 4. .72 45. .66

513 HOH 0 21 .23 40, .90 -2 .68 31. .07

514 HOH 0 16 .40 33, .07 9 .35 28 .30

515 HOH 0 22 .15 43, .12 -3 .40 22 .61

516 HOH 0 23 .57 35, .09 7 .10 28 .69

517 HOH 0 41 .06 25, .11 31 .95 28 .38

518 HOH 0 27 .98 22 .92 37 .85 31 .23

519 HOH 0 42 .20 36, .60 17. .76 32. .90 520 HOH O 38..22 35.,76 21..09 21.,29

521 HOH O 45. .00 38. .62 25. .16 24. ,87

522 HOH O 22. .52 47. .22 19. .10 40. .37

523 HOH O 19. .22 32. .42 10, .08 34. .40

524 HOH O 9. .19 27. .98 3, .88 35. .11

525 HOH O 30. .61 27. .50 34, .20 29. .62

526 HOH O 24. .54 29. ,62 19. .05 28. ,74

527 HOH O 27. .76 39. .34 3. .24 31. .42

528 HOH O 29. .77 39. .55 5. .96 28. .96

529 HOH O 39. .79 27. .99 7, .21 31. .99

530 HOH O 28. .98 23. .88 -3. .07 34. .02

531 HOH O 35. .68 15. .63 37, .52 36. .13

532 HOH O 18. .14 42. .11 23, .71 41. .17

533 HOH O 35. .07 40. .68 10 .97 33. .30

534 HOH O 19. .38 56. .84 18, .16 32. .22

535 HOH O 33. .77 35. .30 8, .71 36. .24

536 HOH O 40, .14 34. .03 28, .05 28. .79

537 HOH O 11, .66 23, .17 26, .47 33. .93

538 HOH O 34 .06 47, .75 12 .09 41, .21

539 HOH O 45 .21 20, .73 16 .39 39, .25

540 HOH O 28 .74 36, .50 -2 .20 45, .43

541 HOH O 30 .01 38. .68 21. .83 32, .08

542 HOH O 45 .00 19. .31 25, .16 24, .87

543 HOH 0 37 .83 40. .65 25 .68 39, .78

544 HOH 0 4 .64 1. .60 5 .09 52, .37

545 HOH 0 20 .46 16. .93 -11 .60 38, .66

546 HOH 0 18 .60 21. .24 -6 .13 35. .41

547 HOH 0 23 .76 5 .43 27 .49 42 .55

548 HOH 0 13 .92 58 .12 8 .84 40 .01

549 HOH 0 43 .35 38, .38 21 .30 35, .52

550 HOH 0 25 .55 54, .44 13 .50 28, .28

551 HOH 0 12 .01 8, .70 26 .34 37, .05

552 HOH 0 30 .05 37. .47 2 .26 38 .01

553 HOH 0 35 .30 31 .96 29 .18 33 .77

554 HOH 0 44 .99 23 .83 16 .59 36 .59

555 HOH 0 22 .10 28 .50 -5 .06 41 .69

556 HOH 0 14 .07 19 .77 20 .35 33 .67

557 HOH 0 16 .56 35 .58 22 .63 37 .61

558 HOH 0 3 .40 10 .61 4 .70 52 .62

559 HOH 0 10 .86 24 .16 5 .31 43 .91

560 HOH 0 39 .69 27 .16 33 .02 31 .60

561 HOH 0 17 .15 47 .58 0 .86 37 .35 562 HOH O 35..14 25..44 32..58 37..43

563 HOH O 14. .55 6. .79 29. .50 42. .81

564 HOH O 24. .45 7. .92 34. .42 42. .77

565 HOH O 28. ,36 30. .13 10. .81 34. .87

566 HOH O 44. .71 23. .73 9. .74 44. .24

567 HOH O 2. .59 2, .49 9. .42 50. .88

568 HOH O 28. .67 16. .99 -15. .34 42. .55

569 HOH O 5. .67 13. .83 -8. .80 49. .68

570 HOH O 16. .81 37, .25 30. .41 38. .55

571 HOH O 19. .81 5, .86 5. .24 46. .39

572 HOH O 3. .77 3 , .38 1. .45 49. .88

573 HOH O 21. .85 36, .94 -3. .83 43. .06

574 HOH O 15. .12 45, .27 20. .31 38, .95

575 HOH O 40, .88 39 .40 12. .73 54, .13

576 HOH O 0, .55 16 .09 8, .08 46, .42

577 HOH O 18. .61 41 .32 26, .61 53, .25

578 HOH O 13. .49 33 .13 11, .86 37, .27

579 HOH O 44. .59 35 .56 27, .53 38, .16

580 HOH O 37. .29 40, .30 14. .70 38, .54

581 HOH O 34. .76 5. .97 19. .70 49. .38

582 HOH O 45. .15 28 .34 13. .23 51. .08

583 HOH O 27. .61 54 .30 16. .59 36, .80

584 HOH O 34, .15 30 .71 -2, .00 41, .88

585 HOH 0 11, .43 53 .60 0. .35 51, .28

586 HOH 0 23, .82 35 .97 -6. .03 49, .54

587 HOH 0 6. .21 18 .93 26. .35 37, .71

588 HOH 0 12, .88 33 .95 15. .64 43, .39

589 HOH 0 8, .01 21 .24 32. .45 42 .31

590 HOH 0 24 .63 29 .50 -6 .07 45 .17

591 HOH 0 12 .75 55 .63 -2. .09 63 .83

592 HOH 0 23 .75 49 .94 0 .00 24 .87

593 HOH 0 31 .99 37 .79 26 .42 59 .33

594 HOH 0 2 .56 52 .94 0 .59 53 .62

595 HOH 0 -1, .15 30 .75 22. .76 62, .52

596 HOH 0 38, .37 45 .23 5. .81 52, .62

597 HOH 0 -0 .24 55 .27 2 .90 54 .97

598 HOH 0 11 .59 35 .46 24. .56 61 .23

599 HOH 0 24 .75 44 .12 23 .68 44 .12

600 HOH 0 4 .19 18 .90 0 .16 51 .97

501 C02 CO+2 21 .56 25 .65 15 .95 40 .39

502 C02 CO+2 18 .32 25 .46 16 .28 42 .83

601 784 Nl 17 .54 28 .80 18 .06 60 .70 601 784 C2 18,.79 28.57 17..53 60..30

601 784 C3 16, .69 29 .91 17. .76 61. .04

601 784 C4 17, .04 27 .79 19. .04 60. .99

601 784 N5 19, .79 29 .41 17. .44 59. .92

601 784 N6 19, .17 27 .36 16. .99 59. .97

601 784 C7 16, .53 30 .38 16. .41 61. .14

601 784 C8 15, .96 30 .63 18. .78 61. .08

601 784 C9 17, .59 28 .01 20. .46 61. .30

601 784 CIO 20, .78 28 .68 16. .84 59. .77

601 784 Nil 20, .44 27 .41 16. .54 59. .79

601 784 C12 15. .69 31. .48 16. .09 61. .26

601 784 C13 15. .12 31. .73 18. .47 61. .24

601 784 014 16. .72 27. .51 21. .39 61. .19

601 784 015 18. .66 28. .57 20. .75 61. .27

601 784 S16 22. .37 29. .28 16, .44 59. .08

601 784 C17 14. .99 32 .16 17, .13 61. .27

601 784 C18 17, .11 26. .25 21, .93 61. .48

601 784 C19 22, .24 31 .12 16. .50 59. .47

601 784 C20 21, .04 31 .78 15. .83 59. .40

601 784 C21 20, .42 32 .93 16, .45 59. .42

601 784 C22 20, .50 31 .31 14, .59 59. .40

601 784 C23 19, .31 33 .57 15, .85 59. .22

601 784 C24 19, .38 31 .95 13 , .99 59. .41

601 784 C25 18, .79 33 .08 14, .62 59. .34

M M M M M M M M M M M M M M M M M M M M cn

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131 LYS NZ 16.,97 8..20 -1..20 49..71

131 LYS C 21. .39 11. .24 3. .01 50. .49

131 LYS 0 22. .34 10. .52 3. .33 48. .54

132 GLY N 20. .62 11. .87 3, .90 48. .18

132 GLY CA 20. .87 11. .69 5. .32 49. .87

132 GLY C 20. .36 10. .34 5. .74 50. .63

132 GLY 0 19. .89 9. .56 4, .91 50. .38

133 GLN N 20. .45 10. .04 7. .03 50. .49

133 GLN CA 19. .96 8. .75 7, .51 50. .69

133 GLN CB 20. .29 8. .56 8. .99 51, .01

133 GLN CG 19. .70 7. ,29 9. .56 50. .69

133 GLN CD 19. ,94 7. .15 11. .04 51. .13

133 GLN OEl 20. .18 6. .04 11. .54 51. .26

133 GLN NE2 19. .89 8. .27 11. .76 51. .08

133 GLN C 18. .45 8. .76 7. .35 49, .10

133 GLN 0 17. .78 9. .69 7. .81 50, .87

134 GLU N 17. .92 7. .73 6. .70 53. .30

134 GLU CA 16. .48 7. .64 6. .50 50, .75

134 GLU CB 16. .17 7. .10 5. .11 51, .11

134 GLU CG 16. .77 7, .94 4, .00 50. .66

134 GLU CD 16. .17 7, .62 2. .65 51, .37

134 GLU OEl 16. .28 6. .44 2. .24 52, .01

134 GLU OE2 15, .60 8, .53 2. .02 50, .11

134 GLU C 15, .88 6. .73 7. .56 49, .08

134 GLU 0 16, .37 5. .61 7. .78 52, .46

135 CYS N 14, .84 7. .22 8. .23 55, .30

135 CYS CA 14, .17 6. .47 9. .29 52. .10

135 CYS CB 14, .34 7, .17 10 .65 52. .92

135 CYS SG 16, .00 7. .01 11. .44 60. .57

135 CYS C 12, .69 6 .33 9 .00 50 .46

135 CYS 0 12, .06 7 .22 8 .43 53 .08

136 GLU N 12, .13 5. .18 9 .39 54 .59

136 GLU CA 10 .72 4 .89 9 .20 51 .51

136 GLU CB 10 .48 3 .37 9 .25 53 .40

136 GLU CG 9 .08 2 .93 8 .82 55 .01

136 GLU CD 8 .92 1 .41 8 .83 56 .52

136 GLU OEl 9 .92 0 .69 8 .60 56 .76

136 GLU OE2 7 .77 0 .94 9 .05 57 .31

136 GLU C 9 .98 5 .55 10 .35 50 .91

136 GLU 0 10 .39 5 .45 11 .51 52 .46

137 TYR N 8 .89 6 .24 10 .05 52 .98

137 TYR CA 8, .13 6 .89 11 .10 50. .52 M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M on Ul Ul in m in m Ul Ul Ul Ul Ul on on Ul Ul Ul on on Ul on on on Ul on OO OO 00 OO oo 00 J 00 OO OO OO OO OO UJ UJ on Ul Ul Ul Ul ui Ul lb lb lb lb lb lb lb lb lb OJ OJ OJ OJ OJ OJ OJ OJ OJ CO oo oo oo oo 00 ~J ^3 ^1 1 _^) ^1 ^J 1 ^

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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33 33 33 33 33 ^•pa P P P P P P P P P P P P P P P P P P P P P P P P P P IS rs rs rs ts ts P P P P

TJ TJ TJ TJ TJ TJ ts LS ES IS ES IS LS ES G G G G G G G G G G G G G G G σ G G 33 33 33 33 33 33 D>

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01 03 ts ts l 63 03 > ts t D 03 > to to M M to to M t M

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170 ARG NHl 17..81 13..42 -1..99 49..90

170 ARG NH2 16. .33 12. .91 -0, .31 49. .08

170 ARG C 22. .77 18. .19 1. .15 46. .02

170 ARG 0 23. .79 17. .88 1. .78 44. .54

171 GLU N 22. .79 19. .05 0. .14 45. .07

171 GLU CA 24. .02 19. .72 -0. .24 45. .86

171 GLU CB 23. .80 20. .61 -1. .48 45, .91

171 GLU CG 24. .88 21. .68 -1. .66 46, .51

171 GLU CD 24. .80 22. .41 -2. .99 47, .34

171 GLU OEl 23. .67 22. .69 -3 , .46 47, .33

171 GLU OE2 25. .87 22. .71 -3. .56 47, .20

171 GLU C 24. .49 20. .56 0. .95 46, .00

171 GLU 0 25. .68 20. .55 1. .30 44, .73

172 ALA N 23 , .55 21. .27 1. .57 44, .77

172 ALA CA 23, .87 22. .10 2, .72 45, .33

172 ALA CB 22, .65 22. .89 3. .15 45 .32

172 ALA C 24, .38 21. .24 3. .87 46 .91

172 ALA 0 25, .21 21. .69 4 .67 46 .71

173 ALA N - 23. .90 20. .00 3. .95 46, .52

173 ALA CA 24. .30 19. .07 5, .01 45, .48

173 ALA CB 23. .29 17. .95 5. .12 46, .12

173 ALA C 25. .69 18. .49 4. .81 45, .95

173 ALA 0 26. .46 18. .35 5, .75 45, .76

174 GLU N 26. .01 18. .12 3. .57 45, .87

174 GLU CA 27, .32 17. .56 3. .31 46, .35

174 GLU CB 27, .44 17, .14 1. .84 46 .38

174 GLU CG 28, .72 16, .36 1. .52 47 .81

174 GLU CD 28, .88 15, .12 2. .40 48 .48

174 GLU OEl 27, .86 14, .61 2 .90 48 .40

174 GLU 0E2 30, .03 14, .65 2 .57 48 .58

174 GLU C 28, .37 18, .61 3 .63 44 .27

174 GLU 0 29 .47 18, .30 4 .08 45 .43

175 ALA N 28 .04 19, .88 3. .39 43 .61

175 ALA CA 28, .98 20. .95 3. .67 45 .05

175 ALA CB 28, .44 22, .28 3. .17 42 .99

175 ALA C 29, .20 21, .00 5. .19 44 .63

175 ALA 0 30, .34 21. .06 5 .66 42 .81

176 HIS N 28, .10 20. .93 5 .93 42 .59

176 HIS CA 28, .14 20. .96 7. .39 42 .93

176 HIS CB 26, .71 20. .94 7 .95 43 .91

176 HIS CG 26 .61 21. .36 9 .39 44 .50

176 HIS CD2 26 .15 22. .50 9 .95 44 .00 M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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211 ASN ND2 25. .07 32. .23 -6. .64 52. .86

211 ASN C 25. .75 33. .85 -3. .09 49. .64

211 ASN 0 24. .59 33. .53 -3. .33 49. .22

212 GLY N 26. .08 34. .96 -2, .44 49. .59

212 GLY CA 25. .04 35. .85 -1. .97 48. .34

212 GLY C 24. .03 35. .09 -1. .13 48. .08

212 GLY 0 24. .39 34. .45 -0. .15 48. .32

213 LEU N 22. .77 35. .16 -1. .53 46. .84

213 LEU CA 21. .69 34. .49 -0, .81 47. .60

213 LEU CB 20. .49 35. ,42 -0. .75 46. .19

213 LEU CG 20. .79 36. ,73 -0. .01 46. .85

213 LEU CDI 19. .70 37. .74 -0, .28 45. .82

213 LEU CD2 20. .91 36. .45 1. .48 46. .03

213 LEU C 21. .29 33. .15 -1. .42 47. .20

213 LEU 0 20. .36 32. .49 -0, .95 45. .92

214 ASN N 22. .00 32. .73 -2. .47 46. .32

214 ASN CA 21. .69 31. .47 -3. .11 45. .94

214 ASN CB 22. .10 31. .52 -4. .58 47. .69

214 ASN CG 21. .14 32, .34 -5. .42 48, .92

214 ASN ODl 21, .45 32. .72 -6 .54 50, .61

214 ASN ND2 19, .95 32, .62 -4 .88 49, .04

214 ASN C 22, .41 30. .34 -2 .40 45, .76

214 ASN 0 21, .91 29. .21 -2 .36 44, .98

215 ALA N 23, .57 30, .65 -1 .84 45, .89

215 ALA CA 24, .36 29, .67 -1 .11 44, .67

215 ALA CB 25. .29 28, .93 -2 .07 44, .95

215 ALA C 25. .18 30, .41 -0 .07 44, .02

215 ALA 0 25 .75 31 .46 -0 .37 44, .62

216 GLY N 25 .26 29 .88 1 .15 43, .37

216 GLY CA 26 .04 30 .57 2 .16 42 .10

216 GLY C 25 .90 30 .07 3 .58 42 .00

216 GLY 0 25 .53 28 .92 3 .81 41 .39

217 LEU N 26 .22 30 .93 4 .54 39 .59

217 LEU CA 26 .12 30 .58 5 .95 40 .60

217 LEU CB 27 .21 31 .29 6 .75 40 .72

217 LEU CG 28 .65 31 .20 6 .22 40 .58

217 LEU CDI 29 .60 31 .82 7 .23 40 .56

217 LEU CD2 29 .03 29 .77 5 .95 40 .44

217 LEU C 24 .74 31 .01 6 .45 40 .33

217 LEU 0 24 .36 32 .18 6 .32 38 .77

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OJ 00 00 00 OO oo 00 00 00 lb lb 00 lb lb lb lb 00 l 00 lb oo lb 0J 00 Ul Ul oo OO Ul 00 OO oo Ul 00 Ul oo 00 00 oo 00 00 0J

Ol ] 00 ] CO 00 00 00 00 ] M vo o o O M vo 00 00 M vo o VD co oo Ol on cn cn ^J ^3 on o on lb on on -J Ol lb on cn on 00 o vo Ul eo ^1 vo O M cn 00 Ul on oo lb vo -O vo o eo o CO vo o o ui co cn 00 M vo Ul M on oo M 00 on vo Ol o ! 00 to lb vo oo ro on o oo oo o vo Ul vo lb M cn on CO CO to 00 oo 00 lb lb l on 00 M vo co o M 00 00 ~J eo oo o 01

to eo CO eo CO eo eo eo to ro CO ro to to ro ro to CO CO CO co eo co to eo eo eo CO to CO CO eo CO CO eo CO CO eo CO CO CO oo 00 00 00 oo 00 00 oo oo 00 00 oo OJ 00 00 00 OO 00 Ul UJ UJ UJ Ul l Ul Ul Ul Ul Ul UJ Ul Ul Ul Ul Ul UJ UJ l Ul 00 00

Ul on on on ui lb lb lb lb lb lb lb OJ 00 00 00 oo 00 Ul eo CO eo CO CO eo to eo CO CO CO to M M M M M M M M M M

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CΛ in CΛ CΛ i >n 33 33 i > 33 33 33 33 33 EC EC EC EC EC EC EC K Ki Ki Ki Ki K; Ki Ki H M H PH PH H PH H H H P

3 3 3 3 3 O O O O O O O 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 ω cn CO CΛ CΛ cn cn cn cn cn

Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω O Ω Ω 3 O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 3 3 Ω 3 Ω Ω Ω Ω σ O Ω Ω 3 Ω 00 Ω Ω 03 EC ts LS α LS Ω 03 o Ω

> Ω 03 > O S CJ CJ Ω 03 >

M to M > CO CO M σ M > ts I eo M M CO

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00 lb OO 00 Ul 00 00 oo 00 00 00 0J oo oo lb lb oo 00 00 00 l oo 00 oo 00 00 OJ 00 Ul Ul 00 oo OJ 00 oo oo oo OJ Ul 00 00 oo vo O oo vo co oo oi ^1 ~3 1 cn -J 00 CO o O vo CO ι -J 00 on cn ~J oi -j ^1 ^3 00 CO 00 1 vo CO vo CO 00 oo ] oo on oo o o co M o σi 00 lb lb to CO lb vo M CO on on cn 00 o oo on o 1 00 t M O 00 M oo VD 00 CO to vo CO on M OJ co

00 Ul on cn to lb ] o o lb o 00 vo M lb lb 00 CO lb oo on M oo on Ul M o lb M oo on on to ui vo to ui o Ol CO M M

235 ASN ND2 29..50 41,.52 20.57 39..51

235 ASN C 33. .84 40, .95 18, .51 40, .95

235 ASN 0 34. .71 40, .32 19, .10 40, .00

236 ALA N 34. .10 42, .05 17, .81 42, .41

236 ALA CA 35, .46 42, .58 17 .66 42, .89

236 ALA CB 35. .42 43, .87 16 .85 43, .75

236 ALA C 36. .09 42, .87 19 .01 42, .65

236 ALA 0 35, .43 43, .39 19 .91 42, .94

237 GLY N 37. .36 42, .53 19 .15 43, .98

237 GLY CA 38. .04 42, .80 20 .41 42, .97

237 GLY C 37. .90 41. .77 21, .51 42. .20

237 GLY 0 38. .53 41. .90 22, .56 42. .36

238 ASP N 37. .09 40. .74 21, .29 42. .00

238 ASP CA 36. .92 39. .72 22. .32 41. .18

238 ASP CB 35. .78 38. .78 21, .93 41. .92

238 ASP CG 35. .34 37. .89 23, .09 43. .10

238 ASP ODl 36. .23 37, .35 23, .78 42. .04

238 ASP OD2 34. .12 37, .73 23, .29 42. .05

238 ASP C 38, .23 38. .93 22, .43 41, .03

238 ASP 0 38. .68 38. .32 21, .46 39. .34

239 THR N 38, .85 38, .94 23, .61 40. .44

239 THR CA 40, .12 38, .22 23 .80 40. .97

239 THR CB 41, .09 39, .04 24 .65 41, .86

239 THR OGl 40, .50 39, .32 25. .92 42, .90

239 THR CG2 41, .43 40, .35 23 .96 42, .82

239 THR C 39, .96 36, .85 24 .45 41, .55

239 THR 0 40, .95 36, .17 24 .74 40, .31

240 THR N 38, .72 36, .43 24 .65 38, .98

240 THR CA 38, .46 35, .14 25 .25 40, .18

240 THR CB 36, .97 34, .80 25 .22 38, .82

240 THR OGl 36, .23 35, .78 25 .95 38, .66

240 THR CG2 36, .73 33, .43 25 .83 37, .57

240 THR C 39, .22 34 .02 24 .56 39, .88

240 THR 0 39, .22 33, .93 23 .33 40, .57

241 VAL N 39 .85 33 .17 25 .35 38, .62

241 VAL CA 40 .60 32 .03 24 .84 37, .81

241 VAL CB 42 .06 32 .03 25 .32 37, .83

241 VAL CGI 42 .72 30 .71 24 .99 36, .47

241 VAL CG2 42 .83 33 .17 24 .67 37, .19

241 VAL C 39 .97 30 .74 25 .34 38, .10

241 VAL 0 39 .61 30 .64 26 .51 39, .37

242 LEU N 39, .84 29, .77 24 .44 40, .37 eo eo to to to ro to to to eo eo co t co to to co eo ro to eo eo to eo cn σi on on on on ui oo oo eo eo to

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Ol 00 lb 00 00 oo 01 lb lb eo lb lb 00 00 to oo M CO lb CO eo Ul eo lb 00 cn ] Ol on co ] 00 CO 00 00 CO ] CO 00 00 vo vo on 00 M M lb o M M on vo on M l vo Ol lb CO ] o CO ] M Ul on 00 lb CO oo vo cn o vo eo oo CO CO l on ^1 on lb ^J on 01 01 o o ^J VO Ol Ol co M 00 o to CO M 01 cn ui lb lb M lb vo o lb ui CO -J co on o 00 lb on ^1 lb CO lb 00 lb

CO CO t CO to to eo to to CO to to CO to CO CO CO to to to CO to to CO CO CO CO CO CO CO CO CO CO CO CO CO to CO eo CO to CO on on on on on on on on on on on Ul Ul Ul Ul Ul Ul ui Ul Ul Ul ui Ul ui ui ui Ul ui Ul on on on on ui ui ui ui ui ui Ul ui Ul

^3 ^J ] cn Ol Ol Ol en cn cn 01 ui ui Ul Ul Ul ui Ul ui Ul Ul lb lb lb lb lb lb lb 00 oo 00 oo CO CO IO CO to CO to CO CO to cn CΛ 03 H H M H H H H H EC EC EC EC EC EC EC EC EC EC H. ι9 M, ► H. ι9 1-3 Ω Ω Ω Ω TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ

LS ES LS P P P P P P P P H H M H H H H H H H EC EC EC EC EC EC EC P P P P EC EC EC EC EC EC EC EC EC EC 33 33 33 LS LS ts ts ES ES ES ES CΛ CΛ CΛ CΛ CΛ cn cn cn cn cn 33 33 33 33 33 33 33 Kj Ki Ki j ES LS LS ES ES LS LS ts IS LS

Ω Ω 3 O Ω Ω Ω Ω 03 > Ω 03

M M M M CO to CO CO to eo CO CO eo CO CO CO CO CO CO CO CO CO CO CO CO to eo CO to to CO CO to to CO eo to CO CO CO CO to

~J CO VO VD o lb Ul M M M M 00 eo CO M M CO M M co 00 to oo -J on on lb lb on lb lb on on Ul D VD vo oo vo oo 00 01

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1 1 1 1 1 1 1 1 1 1 M M M M M M M M M M M to M M o o M o eo o o M M M CO M M oo OJ 00 OJ lb on ui cn on on on 1 CO 00 vo o M M M o eo o to M CO CO

01 ui M oo cn to cn lb VD CO M on VD on on VD on M 00 lb M CO 00 M CO on o lb M lb 00 00 03 CO o M lb on CO CO 00 CO

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Ol cn cn on cn cn Ol 01 cn cn cn cn cn on oi cn cn Ol O cn cn cn on Ol on Ul Ul Ul on on on on on Ul on on on on on on ui ui

CO CO CO eo CO CO CO CO M M M M M M M M o o o o o o o o vo vo o vo vo vo vo vo vo vo vo 00 00 00 oo ^1 ^3 ~J

> > > > > > > H H H H H H H H H H H H H H H H in in cn cn cn cn cn i >n > > > > > > > > Ω Ω P P P P P P P P P P P P P P P P 33 p •a 33 >33 33 33 33 33 33 33 33 P P P P ES ES IS

TJ TJ TJ TJ TJ TJ TJ TJ LS LS LS LS IS IS LS LS LS ts ES ES ts t ES ts Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ki K; K; po 33 33

O Ω O o Ω Ω Ω 3 Ω Ω 3 O Ω Ω Ω Ω Ω Ω σ 3 O Ω 3 3 Ω 3 Ω Ω Ω Ω 3 O Ω Ω σ O Ω O Ω 03 > o Ω Ω Ω Ω O Ω Ω 03 Ω Ω 03 EC EC ts IS D Ω 03

CO M M M eo > σ M M ro > eo M > > Ω

CO to M eo M M CO CO CO CO CO CO CO to eo CO M M M M M M M M M M M M M M M M M M M M M M M M M M o M CO M VD VO o o eo M o M co CO o o co vo CO vo 00 oo ^1 vo 00 CO eo CO lb lb Ol 1 on 1 CO cn 00 lb to vo M vo on CO on oo CO cn on on o CO M o Ol CO to oo ^J 00 CO M M CO J o 00 CO M O oo lb o Ul eo lb cn Ol cn vo Ol M 00 oo cn eo o 00 cn cn o o on oo 00 1 CO M lb Ul cn M o 00 00 00 ^1 M Ol oo to on M ^1 ^J 00

UJ l o t to eo CO eo eo eo CO eo CO to to to to to CO eo CO to eo eo to eo CO CO eo CO eo eo CO CO to to CO to to eo CO CO eo CO CO

M to on ui on lb 00 00 lb 00 o M M to 00 lb 00 lb vo oo Ol cn Ul ui lb on oi on on on lb lb lb on Ol VD vo oo oo ^

Ol lb o o on 00 lb lb on 1 00 lb M 00 ^ Ul 00 eo 00 00 00 CO CO oo o CO ^3 CO VD on 00 ui vo vo to o lb ^1

M CO VD lb M vo lb O M CO 00 lb on M CO M o 00 oo on M o CO on VD cn lb vo M oo on o 1 VD oo o on ^1 M lb

M M M M M M M M 1 1 1 1 1 1 to CO lb lb 00 CO M o VO VO cn cn CO -J CO ^1 ^J cn ^1 cn 00 ^1 01 ui 00 00 M o o o o o M CO CO 00 CO M o o o oo

CO on Ol oo CO lb 00 lb lb to o eo oo o CO CO VD lb on lb CO M o on CO to vo M eo 00 on M ^1 vo 00 lb oo CO on o M vo O o lb UJ ^1 o oo on lb CO on on lb Ol ^1 cn CO 00 cn on CO vo VO ^3 VD CO vo vo M vo o Ol o ^1 on CO

OJ lb lb lb lb lb lb 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb vo M o o M o o vo M CO CO CO M M M CO M M to o o M CO CO CO CO on lb lb lb Ul 00 oo CO to Ul CO to CO lb oo 00

Ul o 00 eo M to 00 vo on 01 CO oo CO ^1 vo to ^1 vo to CO Ul o ^1 ui on O eo VO on ^1 00 0J Ul CO ui ^1 lb 01 lb CO Ul CO M O 00 CO on on cn CO 00 o o o on M oo M M o M M vo ui on cn o CO M 00 01 lb lb o CO eo oo 00 M

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01 cn σ 01 01 cn cn cn 01 Ol Ol 01 01 on 01 01 01 cn 01 σ cn 01 01 01 cn Ol 01 01 01 01 01 01 cn on cn cn on cn cn cn 01 01

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Ω Ω O Ω Ω 2 0 Ω Ω Ω Ω Ω 2 O Ω Ω O Ω Ω 2 O Ω Ω Ω Ω Ω Ω Ω Ω Ω 2 O n ci 2 O Ω n Ω Ω 3 Ω Ω 03 ^¬ t Cl C3 Ω 03

CO > Ω Ω Co

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00 to oo oo CO M CO ro M CO to o VD VO 00 1 ib oo i on cn vo co co VD CO on VD lb vo o 00 vo CO co m lb ui lb CO M CO M on o CO 00 CO 00 oo on 00 00 M to to ui ^1 o vo M o 01 Ul 00 00 co co vo lb on lb on J O 00 ^3 Ol on cn en Ol l J cn o lb cn lb CO oo co M en M O -0 M CO en Ul oo on Ul ^1 00 M on 00 1

UJ

Os oo M M M M M M M M M M M M M M M M M M M M M M M M M M M M ] VO CO VD o M o CO M ] CO CO vo vo O O M o O CO vo oo oo VD O M M Ol lb Ul ui 00 UJ oo oo Ul ^3 cn on lb 00 eo

CO O on 0J on oo ] M M CO 01 CO ui to O CO o oo 00 eo to CO eo oo Ol lb Ol CO -J Ul o en o M o M Ul eo 00 ^J OJ 00 ! on o vo CO vo o ^1 Ol 00 on o vo CO ] lb CO vo 00 CO on vo vo 00 co Ul lb M ^J VO CO M on ^1 lb Ol M lb 00 lb M on

0J lb oo oo oo oo oo 0O 00 CO to eo 00 to oo UJ oo Ui oo oo 00 oo 00 00 00 Ul Ul 00 oo 0J oo OJ oo oo oo Ul CO CO 00 CO CO CO

VO O vo CO 00 cn ui on lb ι oo vo o vo O M CO Ul 00 lb 00 M CO 00 00 on lb lb lb lb 00 lb oo eo M M CO oo o vo o vo

0J lb lb oo o co cn eo VO CO vo ^3 vo CO lb to lb on on oo 00 on cn ^1 CO oo M CO -J on VD 00 Ol to VO lb o 00 M Ol vo lb lb ] 01 00 vo CO 0J ι lb M ui ^1 to on o Ul vo vo lb Ul vo on vo O O O Ul Ul M Ol CO o lb o OO Ol o ^1 ^1 on oo lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb lb on lb lb lb lb lb lb lb Ul on on *> lb lb

Ol on Ol on on on on ] ui M M to 00 M CO OO lb on on on on on on lb on lb lb VO O VD CO 1 on lb Ol ^3 M M O VD co 1 on o 00 on co o vo ^3 CO on vo co 1 o CO en eo vo on co on o oi vo ui o oo oo o CO CO cn lb o vo oo M 00 Ol eo CO oo M CO CO CO en on oo on co σi on lb σi oo lb CO o

OO OO U1 U1 UI UI U1 U1 oj oj oo ui ui oo oo oo oj oo oo oo o ui ui ui ui 00 oo 00 oo 00 Ul Ul Ul Ul Ul Ul Ul Ul Ul UJ M M M M M M M M -^ t-' t-' t-' t-' t-^ t-^ - t-^ t-' ' M M M M M M M M M M M M M M M M M M M M 03 00 00 00 ^1 ^1 ^1 ^3 σi σi σi σi σi σi cn σi cπ ui ui cn Ul Ul Ul Ul lb lb lb lb lb lb _lb Ul Ul Ul UJ UJ Ul CO CO

P P P P Ω Ω Ω Ω > H H H H H H H H Ω Ω Ω Ω Ω Ω Ω Ω Ω < < < < < < < Ω Ω

Ki Ki Ki P P P P cn cn cn cn cn co cn cn p p p p p p p p p p p p p p p p p > > ' P P cn cn cn cn Ki TJ TJ TJ TJ TJ TJ TJ TJ ES LS IS ES LS rS IS LS G G G G G G G G G P P P P P P P G G

Ω Ω Ω 3 Ω Ω Ω 3 O Ω O O Ω Ω Ω O Ω Ω Ω Ω Ω Ω O Ω Ω O Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω O Cl

63 00 > > CJ O Ω 03 > O Ω Ω 03 ts ts O 63 03 63 63 03 > IO M M M o CO M to M

CO CO co Ul oo 00 00 00 oo oo 00 00 oo 00 00 00 oo 00 CO OJ 00 oo 0J 00 oo 00 00 00 00 Ul Ul eo eo to co IO to CO CO CO eo CO 1 vo vo M M eo 00 J lb lb lb Ol on lb lb 00 to CO VD O co to M M o M co M M o VD 00 ^1 J on on ! cn Ul ui lb

VD lb oo to Ul o lb vo o CO 1 lb oo -J ^1 vo o on ] Ul on lb o o ] vo cn oo co Ul Ul co vo o oi Ol 00 M CO lb Ul CO

Ul oo lb ^1 o o vo ] on oo ! lb ^1 00 cn vo Ul vo on Ul M M oo o M 00 -o ] lb cn VD o on on Ul vo M o cn lb IO o UJ

OS

VO M M M M M M M M M eo M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

00 00 on on U Ol Ul cn 00 -J o vo vo vo 1 ] CO -J, ! Ol CO ^J cn on lb lb to M M Ul co 00 00 00 OJ Ul oo oo CO CO o M on Ul co 1 lb o CO to lb on ] to co UJ CO CO IO lb CO VD lb -o i co o on M o vo M on ] CO vo lb IO lb CO CO ^1 Ul Ul to ^1 vo on 00 o CO ] on on o vo to vo ^1 oo to ] lb on 00 Ul Ul cn ^1 CO o o VD o CO -o. vo lb CO vo to CO vo o ui M lb lb lb lb lb lb lb lb lb lb 00 Ul 00 lb lb oo 00 00 00 00 oo l Ul oo 00 00 lb lb lb lb Ul 00 Ul Ul 00 00 0J 00 00 00 oo 00

OJ Ul Ul to lb OJ oo eo CO M CO 00 00 o O vo VD VD lb Ul cn Ol -0 00 ] oo eo o M o vo 00 ^1 00 ] Ul lb on cn Ol 01 on

M o o co 01 oi 00 o on ^1 M lb oo M OO eo co M VO vo to vo vo lb 0O M ] VD on oi on ^1 ^1 ^1 ] -o M 00 on oo M on oo vo Ui o o Ul ui 00 cn Ul 00 M o on lb 00 on to VO lb to Ol cn vo oo 00 lb ~J M Ul ^1 cn o o on ^1 on ] on o 00 vo on lb lb lb on Ul lb lb lb lb on on on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

O VD VD oo o o vo CO vo vo o o o vo oo oo o ^3 Ol Ol ^1 ^1 ^1 Ol lb cn VD vo co o ui on on lb ui lb lb on on lb lb on

^1 CO l vo lb ! o CO to 00 M ^3 to on VO 00 M IO Ul VD 01 lb lb CO ui to CO M CO M lb 00 o 01 M M OJ CO to on ] vo

Ul M vo CO M ^1 00 vo oi to Ul eo vo cn on CO vo -o Ul Ul on oo on co CO CO lb to lb o ui Ol 00 o co co vo o vo M vo M

oo Ul Ul Ul Ul Ul UJ UJ J Ul Ul Ul Ul UJ Ul Ul l Ul UJ Ul Ul Ul l Ul Ul Ul Ul Ul Ul Ul Ul Ul U) Ul UJ eo eo eo eo CO CO to CO to t to CO eo to to to to to to to to to to to to to t to to to M M M M M

Ul Ul CO eo eo CO CO to to M M M M M M M M M o o o o o o o o o o o o oo oo oo oo oo

P P Ω Ω Ω Ω Ω Ω Ω Ω Ω ^►9 ^■-3 ^►9 ^►9 ι9 ^►9 ι ι ι ι > i9 i i i9 i i P P P P

Ki P P P P P P P P P Ki Ki Ki Ki Ki Ki << ; Kj Ki

CΛ CΛ P P P P P P P 2 2 2 2 2 2 2 2 2 33 33 33 33 33 33 33 33 •pa 33 33 3333 3J 33 33 33 33 3J 33 cn cn cn cn cn

Ω 2 o Ω Ω Ω Ω Ω 2 O Ω 2 O Ω Ω Ω Ω 2 O Ω O Ω Ω Ω Ω Ω Cl Ω Ω 2 Ω Ω O Ω Ω 2 O Ω 2 Ω Ω

> Ω Ω 03 > ES LS CJ Ω 03 EC IS ts CJ ts CJ Ω 03 > Ω Ω 00 t t σ eo M ro M > ro to M M t M

M M M M to CO to to CO eo to M M M M M to to CO CO eo co eo eo to CO CO CO CO to CO CO CO to co eo eo CO CO CO CO to 00 VO oo vo OO M M M M o o O oo VD M M 00 OO CO 1 on on 1 on on lb lb Ul ui Ul Ul cn ^1 VD vo on ui ^1

M u o U cn M eo to 00 00 on lb 00 01 O CO M eo 00 vo o -0 lb lb o CO lb 00 Ol ui on o CO *- o oo vo ib CO t Ol o -J VD lb lb 01 co M o 01 Ol M on M CO o VO on 00 VD Ul lb VD lb M on lb o M ui CO M eo vo M to vo lb -J

UJ o M M M M M M M M M M M M M M M M M M M M eo CO CO M M M M M M M M M M M M M M M M CO M M CO 00 on on on on on on on cn Ul M 00 00 00 lb lb on lb on M o o vo 00 CO oo cn ui 01 on CO oo oo lb Ul Ol 01 M VD vo on o vo ^1 M Ul cn to 00 oo ^1 CO vo M on oo lb 00 CO M CO on Ol VO o oo 00 M lb ui cn CO vo ui CO 01 M M o VD co vo -0 CO oo vo to vo co o to lb ^1 lb Ul vo M cn o eo on M Ol M lb o CO 00 lb CO vo CO lb vo cn M CO oo o

00 00 oo oo oo OJ oo J 00 00 00 00 00 oo oo 00 00 oo 00 OJ lb OO 00 00 00 oo oo OJ OJ 00 lb lb lb lb lb lb lb lb lb lb lb lb oo oo lb lb 00 M t lb Ul cn cn 00 00 ^1 CO ^3 CO CO o vo vo vo VO VD VD 00 VD VD M M CO oo CO M eo o M lb OJ 00 vo M M to 00 vo CO lb 00 cn M M VD oo oo ^ cn VD Ol eo 00 00 lb on M o Ul lb VD 00 M 00 M M lb 00 CO vo lb cn t M Ul o o OJ VD o oo o cn o M on CO M o cn o oo CO to M on Ul Ol lb M VD oo Ol vo CO M lb CO vo lb lb lb lb lb lb lb lb lb lb lb on on Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on on on on 00 on lb on 01 ^1 00 ^1 o M O vo oo CO ^1 ^1 on 01 cn on ui on Ol cn 01 oo Ol Ol oo CO -3 00 CO CO

M M M ^1 M 00 _^3 on CO OJ eo M oo VO ^1 VD IO ^1 M on o M CO as ^1 lb 00 M M to lb M M CO vo CO CO o M lb 00 M 01 Ol vo 00 to M cn M cn ^1 Ul Ul CO 00 cn 00 M vo 00 o on vo lb ui M on M M lb ui M en eo o M o vo Ul o

Ul ui ui oo Ul Ul Ul Ul Ul ui oo 00 00 oo 00 00 00

IO eo co eo to to to to to co to co co to to to eo co eo eo eo co to to to to ro co eo co co to co 1 on oi cn Ol o σi cn Ol oi O Ul on Ul oπ ui ib ib ib ib ib ib tb oo co oo ui ui oo oo

> > > > > > > > > > > > > > > > > > > H H H TJ TJ TJ TJ TJ TJ TJ P P P P P P P cn cn cn co co cn cn CΛ 33 33 33 33 33 ^•pa 33 33 ^•pa 33 33 P P P P 33 33 33 33 33 33 33 κi κ; κ; κi κi κi κi G 3 3 3 3 3 3 3 3 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω rs LS H ts o o o o o o o cn cn cn cn cn cn cn

3 O Ω 3 O Ω Ω Ω 3 Ω 2 2 Ω 2 Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω 2 0 Ω 2 Ω Ω Ω Ω

D O Ω 03 > EC EC ts LS O Ω 03 CJ Ω Ω 03 co M to > M > O 00 CJ LS tS CJ Ω tJO

M M M M M M M M M M M M M M M M M M M M M M ro M M M M M M M M M M M M M M M M M M lb lb 00 on on lb 00 oo OO IO CO CO CO CO CO M to to 00 lb on Ul o VD 00 Ol cn on Ul 01 on -J vo CO 00 oo ^J

Ul O vo M lb ^3 oo M on O 00 M M M o VD Ol lb 00 lb O n on VO M o M 00 lb cn vo CO o o M lb lb -J ^J M O eo M on CO M on M CO vo CO CO CO oo to on O M lb on lb to 01 o ^J vo oo 00 M o CO oo oo M o oo CO 00

UJ

^1 " to CO eo oo CO to CO to eo to CO eo to CO to CO t t t to to to to to to CO CO eo CO CO M M M M M CO M CO eo CO IO M Ol co o oo VD 00 ^3 on Ul on ^J on Ol cn ui on lb lb OO lb 00 lb lb Ul lb 00 CO M M oo VD vo co vo o vo M M o o vo ib ui on 00 M M 00 ui lb o CO on eo 00 OJ M oo M M VO o vo co O VD lb ^J o ^3 lb o oo vo CO M M oo CO ui VO Ol lb o lb ^1 Ol O 00 CO Ol on Ul ui VO ^1 Ol Ol lb M CO on oo cn CO CO CO M on o M 01 CO vo o M lb 00 U M cn

CO CO eo CO eo CO CO eo co eo eo 0J 00 00 OJ OO oo 00 00 00 to to ro CO to CO OO CO oo 00 oo eo 00 oo oo 00 oo 00 00 00 Ul 0J

Ol cn vo vo vo vo oo vo CO vo 01 on on lb Ul eo M O O CO vo CO VD VD vo o vo M o o VD o M M CO eo 00 ^ cn on lb

^J lb M VD cn M lb CO oo M lb lb lb Ol to 00 O lb oo on oo lb 00 M o 00 00 lb 00 lb 00 cn o lb cn M Ol t VD lb oo o 01 lb lb on eo vo M 01 00 CO on Ul 01 CO VO Ul o o CO CO en oo o M CO 00 lb o o cn cn CO to eo ^1 vo o M lb lb lb lb lb lb lb lb lb lb lb on on on Ul on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul on Ol Ol cn cn cn 00 M M M o o VD 00 O on on to oo CO oo lb lb on lb lb lb lb lb on oi on oo 00 Ol ^1 vo ^1 o Ol on to vo lb M CO VO lb oo lb vo ^1 CO 01 vo oo OJ O lb on lb M oo cn CO lb lb M M ui on M 0J o CO cn 00 vo CO vo M o Ol lb CO cn Ol Ol o M CO O to OJ M CO on 00 on M lb Ul on Ol on lb vo lb Ul o -J to vo

OJ OJ UJ UJ Ul UJ Ul UJ UJ Ul Ul Ul Ul UJ Ul Ul Ul 00 UJ Ul Ul Ul UJ Ul Ul Ul Ul UJ Ul Ul oo 00 oo oo 00 oo oo oo oo 00 00 oo

OJ UJ Ul Ul Ul UJ Ul Ul Ul Ul Ul Ul Ul UJ Ul Ul OJ 00 Ul Ul UJ UJ Ul Ul Ul Ul Ul CO CO CO CO eo CO CO CO CO CO eo CO CO to eo

OJ UJ UJ Ul UJ Ul Ul to to to CO to to M M M M M M M M M M o o o o vo vo vo vo vo vo vo vo CO 00 CO 00 00 CO 00

H H H H H H H CO (Λ cn CΛ CO CO EC EC EC EC EC EC EC EC EC EC Ω Ω Ω Ω > > > > > > > P P P P P P P P P P P P P P CS ts LS ts ts LS H H H H H H H H H H > P P P P in CΛ m cn co in cn C ES LS LS LS LS LS LS LS LS LS LS ts ES ES 33 33 33 33 33 33 CO CO cn cn cn CO cn cn ω cn Ki Ki K; xi 3 3 3 3 3 3 3 3 G G G G G G G

Ω Ω Ω Ω Ω 03 >

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

M Ul lb lb 00 CO M M M CO oo o o to M on on lb on lb to CO CO CO eo 00 UJ lb lb M eo CO eo oo lb 00 lb -J VD -O 01 ui

^J 00 on on J lb on on eo on VD lb ^1 Ol 00 CO 1 lb M O 01 O VD M vo vo 00 -3 CO cn CO M lb VD Ol CO on lb M Ol ~J to to ^1 to oo lb M o oo vo Ol 00 cn cn CO on 00 ^J Ol O lb o on ^3 Ul Ol vo lb 00 M 00 vo M Ol lb ^J CO M VD O lb O eo

U> to eo CO CO to CO CO CO eo to to t to to to to CO eo eo CO to CO eo CO CO to CO eo CO eo eo eo co to CO CO eo CO CO CO CO CO eo on 00 lb on lb Ul lb on on on lb lb lb 0J lb Ul 01 en Ul on σ lb Ul lb 00 to UJ Ul lb Ol cn on lb lb on lb on 00 on -0 on cn

00 VO on cn CO Ul ^3 oo to 00 lb IO on lb M vo CO oo CO o o on ^1 oo -j 00 o M M on on vo lb CO CO oo CO M 01 M vo CO

^1 01 CO co cn ! ~J M o on 1 01 CO to lb lb M M 1 vo o ^1 M on M lb CO o ui 00 00 00 01 M o co CO 1 o O CO vo

M M M M M M M M M M M M M M M M M M M M M M eo CO eo eo CO CO CO CO CO eo CO CO eo to CO eo

00 o O CO vo VO o eo to to to to lb lb lb ui lb lb cn ui Ol Ol ^1 vo CO vo o o M oo M CO CO CO oo on lb lb Ol ui on ui on oi co on on co ^1 lb o on on CO to to CO 00 Ol Ol oi vo 00 oo O o oo o on Ul M 00 o ^1 CO cn oo eo 01 00 o o 01 lb cn M on on ^j vo vo OJ o 00 l cn on vo on M o Ol CO on lb O lb eo on ^1 o o o M Ol M 00 O on ^3 CO ^1 eo Ol Ol ^J lb lb lb OJ lb lb lb lb lb lb lb lb lb lb lb lb lb lb *. lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

M M M vo M o M o M M M ro to to to 00 00 oo lb lb lb oo Ul lb lb lb lb 00 Ul ^1 ^1 Ol on on lb on on on lb on Ul Ol

CO CO OJ vo o CO lb vo 00 to on on cn vo vo M ui lb M o M M M lb VD vo cn 00 ro 00 lb Ol cn co vo vo 1 OO VO co 01 O

M M vo M ^1 00 ^J on ^1 O cn lb ui lb lb ^1 M ] ^1 o O M M Ol CO o o ^1 CO eo O eo on cn CO OO o lb Ol on ui CO

00 00 oo o Ul Ul Ul Ul Ul Ul Ul l Ul Ul Ul Ul Ul Ul UJ Ul oo oo OO oo 00 oo Ul oo UJ 00 OJ 00 oo 00 00 00 00 00 OJ oo 00 Ul

00 00 oo UJ Ul Ul Ul UJ Ul l Ul l Ul Ul Ul Ul Ul Ul Ul 00 00 00 oo oo 00 00 Ul oo UJ 00 Ul oo oo oo oo 00 00 00 OJ 00 Ul Ul

CO 00 co 00 00 1 ] ] ^1 -J -J -J ^1 -J -o ] on Ol 01 01 Ol Ol Ol 01 Ol 01 01 Ol on on on on on on on on on lb lb lb lb Ul

H H H H H > > > > > > > > > > > ■9 ι ι ¹-3 β ^P3 ι ι9 ι ι9 ι ι9 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω H P P P P P 3J 33 33 33 pa 33 33 33 33 33 33 κ| Ki Ki Ki Ki Ki Ki Ki P P P P P P P P P P P P P P ES ES IS IS ES Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 33 33 33 33 33 33 33 33 33 33 33 33 3 3 3 3 3 3 3 3 3 Ki Ki ; ts

Ω Ω Ω Ω 3 O Ω 3 3 Ω 3 Ω Ω Ω Ω O Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω 3 O Ω Ω Ω Ω 3 O Ω Ω 3 O Ω Ω 03 > EC EC CS LS EC t ts D ts CJ s 03 to M α Ω 3 O Ω 03 > Ω 03 to to M M > ts t to Ω > M eo M α >

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M σ oi on on Ul lb ! 1 CO vo o M CO OO lb lb lb ^1 On Ul ^ on on on lb to 00 00 M CO 00 eo to M 00 to M M M

Ul on CO on M Ul o co lb CO ui M cn to eo vo co co M M VD CO CO M oo 01 lb ^1 ^3 00 lb 00 VD vo oo to M 1 CO CO lb CO on cn vo CO on eo Ul to M M to eo 00 ro O 00 O 00 lb to CO ^1 01 lb oo CO VD o on eo M 00 oo 00 to o

UJ

^1 UJ to 00 oo CO oo CO OJ 00 Ul OJ oo oo OO Ul Ul oo 00 oo 00 OJ OO OJ 00 Ul 00 OO Ul oo OO 00 CO to CO eo CO CO eo CO CO eo CO CO vo M o VD o vo o 00 CO oo to ro to M M M 00 to CO CO CO to CO t to eo M o M O 00 vo VD VD vo CO 00 00 oo 1 lb

M lb M on lb eo eo cn vo M CO to O lb Ul o M o o CO CO lb 00 ui on en 00 M CO VD ui to 00 o 00 00 CO o on M vo CO Ol M CO ^1 M 00 lb to to o 00 on on M Ul 01 o lb 00 on lb CO en VD 01 M 01 lb o lb 1 VD o 00 00 oo oo Ol lb Ol

M M M M M M M M 1 1 1 1 CO CO M o o vo vo M vo o o VD vo CO CO 01 cn cn M o o M M to CO 00 lb lb lb lb o o o M CO J lb on 01 oi co ^1

^1 UJ ^J vo o Ul CO co cn cn on to lb M to vo cn CO O M M 00 00 Ul on co co 00 Ul to vo 00 o oo lb 00 lb o vo M VD 00 Ul 00 vo o vo o Ol on o 00 M on lb to CO cn lb -J, O M cn Ul VD lb CO vo on ^1 Ol o to ui on M CO co M lb lb lb lb lb lb lb on on Ul on on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb 1 1 oo ^1 ^1 on 00 00 to M o VO on on lb lb M M M M O M M M 00 M 00 lb Ol oo Ol Ul lb lb eo lb oo oo to CO

Ol cn on on M on oo M on vo co ui 00 00 ^J o on 00 oo ^1 IO 00 on vo 1 vo 00 oo O VD M VD 01 Ul on vo M VD 01 CO Ul CO lb M ^1 CO M on oo M cn vo to to o en cn on M ^3 00 00 ^1 lb 00 VD CO lb on o Ol -o M lb vo lb ui vo lb CO

338 ILE CDI 17..81 27..81 12..17 49..70

338 ILE C 14. .60 29. .03 12. .00 49. .90

338 ILE 0 14. .52 27. .83 12. .30 47. .68

339 HIS N 13. .80 29. .96 12. .53 48. .08

339 HIS CA 12. .76 29. .61 13. .49 50. .17

339 HIS CB 12. .98 30. .36 14. .81 50. .79

339 HIS CG 12. .07 29. .92 15. .91 50. .97

339 HIS CD2 10, .76 29. .59 15, .92 51. .40

339 HIS NDl 12. .50 29. .77 17, .21 51. .29

339 HIS CEl 11. .50 29. .38 17. .97 51. .16

339 HIS NE2 10, .42 29. .26 17, .21 51. .68

339 HIS C 11, .42 30. .00 12, .88 49. .31

339 HIS 0 10, .92 31. .11 13, .09 51. .18

340 ALA N 10, .84 29. .07 12, .13 52. .76

340 ALA CA 9, .59 29. .27 11. .41 50. .61

340 ALA CB 9, .45 28. .21 10. .33 51, .31

340 ALA C 8, .28 29. .36 12. .20 53, .40

340 ALA 0 7, .24 29. .67 11. .61 52, .55

341 GLY N 8 .29 29, .09 13 .50 52, .59

341 GLY CA 7 .04 29, .19 14 .23 52, .88

341 GLY C 6 .75 28, .22 15 .37 54, .17

341 GLY 0 6 .45 28, .66 16 .48 54, .05

342 LYS N 6 .80 26, .91 15 .10 52, .83

342 LYS CA 6 .53 25, .92 16 .14 53, .37

342 LYS CB 6 .01 24, .61 15 .54 53, .58

342 LYS CG 4 .61 24, .64 14 .96 53, .98

342 LYS CD 4 .23 23. .23 14 .50 53. .67

342 LYS CE 2 .94 23, .20 13 .71 53, .65

342 LYS NZ 2 .71 21, .82 13 .17 53, .43

342 LYS C 7 .76 25, .60 16 .98 52, .56

342 LYS 0 8 .89 25 .71 16 .50 53, .31

343 THR N 7 .54 25 .19 18 .22 52 .79

343 THR CA 8 .63 24 .86 19 .11 52, .16

343 THR CB 8 .63 25 .79 20 .33 52 .39

343 THR OGl 7 .46 25 .55 21 .12 52 .67

343 THR CG2 8 .63 27 .25 19 .88 53 .07

343 THR C 8 .56 23 .40 19 .58 52 .06

343 THR 0 7 .48 22 .85 19 .78 53 .19

344 VAL N 9 .73 22 .78 19 .71 51 .80

344 VAL CA 9 .84 21 .40 20 .17 51 .56

344 VAL CB 10 .82 20 .60 19 .29 51 .56

344 VAL CGI 10 .94 19 .18 19 .80 52 .05 00 00 00 00 00 UJ Ul Ul Ul Ul Ul UJ Ul Ul Ul UJ Ul l 00 00 oo 00 OJ 00 oo 00 00 00 OJ 00 oo 00 oo oo 00 00 oo 00 00 00 00 00 on on on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

O o O vo VD VO VO 00 03 00 00 oo oo oo oo 00 -J ~J ] -J -J ] ^1 cn Ol Ol on 01 Ol 01 Ol on on on on on on on lb. lb lb

Ω Ω Ω Ω Ω Ω P P P P P P H H H H H H H H H H TJ TJ TJ TJ

P P P P P P P P P P P P P P P P P P P 33 33 33 33 33 33 cn cn ω cn cn rs ts rs rs LS ES ES ES ES ES ES ES ES O O O O O O P P P

Ω Ω 3 O Ω Ω 3 o Ω 3 Ω Ω Ω Ω Ω 3 Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω 3 O Ω Ω > > ts CJ Ω 03 o Ω Ω Ω

> O Ω 03 > CJ Ω Ω > Ω 03 > CJ Ω

M M M M

M M M M M M M M M M M M M M M M M

CO lb lb OO 00 00 lb cn Ol on ] on Ol cn as 00 00 CO vo vo to o o M 00 CO on lb lb lb CO M M O ^3 00 vo CO vo M O O vo 00 CO ^3 vo vo oo ^1 M Ul o on vo on vo 00 00 VD co VD o on lb o O CO co lb Ul M 01 ] O VO co 1 vo M on on 00

Ol CO vo o on o o CO ^1 VD o CO on M Ul on lb lb eo to 01 00 M 1 ~J ~o M O lb on to lb ] oo o vo o oo o vo on

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U\ CO CO CO eo eo to M CO M M M M M M M M M M CO CO to CO M M M M CO to CO M M CO M to to to CO CO to CO eo CO

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419 TRP CG 29. .13 37. .44 9. .68 36. .37

419 TRP CD2 28. .27 36. .31 9. .53 36. .07

419 TRP CE2 29. .03 35. .16 9. .82 35. .96

419 TRP CE3 26. .92 36. .16 9. .18 36. .08

419 TRP CDI 30, .36 36. .94 10, .04 36, .84

419 TRP NEl 30, .30 35, .57 10, .13 35. .97

419 TRP CZ2 28, .49 33, .87 9, .78 36. .39

419 TRP CZ3 26, .38 34, .89 9, .14 37. .20

419 TRP CH2 27, .16 33, .76 9. .44 37. .27

419 TRP C 29. .68 41. .20 9. .07 35. .35

419 TRP 0 29. .62 41. .33 7. .86 37. .72

420 LEU N 29. .51 42. .20 9. .93 37. .37

420 LEU CA 29. .29 43. .56 9. .46 37. .33

420 LEU CB 28. .46 44. .35 10. .47 35. .69

420 LEU CG 26. .95 44. .05 10, .46 36. .27

420 LEU CDI 26. .25 44. .88 11, .54 36. .02

420 LEU CD2 26. .36 44. .36 9, .08 35. .19

420 LEU C 30, .66 44. .21 9, .29 38, .08

420 LEU 0 30, .93 44. .84 8, .27 35, .22

421 ASP N 31, .55 44 .04 10, .27 37, .17

421 ASP CA 32, .89 44 .61 10, .15 40, .25

421 ASP CB 33 .79 44 .20 11, .33 40, .93

421 ASP CG 33 .13 44 .40 12, .68 41, .38

421 ASP ODl 32 .57 45 .48 12, .93 42. .48

421 ASP OD2 33 .20 43 .47 13, .50 42, .01

421 ASP C 33 .48 44 .03 8, .88 39, .48

421 ASP 0 34 .05 44 .74 8, .05 40, .09

422 ARG N 33 .34 42 .73 8 .73 42, .05

422 ARG CA 33 .84 42 .00 7 .57 41, .29

422 ARG CB 33 .28 40 .58 7 .62 42, .25

422 ARG CG 33 .53 39 .77 6 .41 42 .76

422 ARG CD 33 .51 38 .30 6 .76 42 .94

422 ARG NE 34 .10 37 .54 5 .68 44 .29

422 ARG CZ 33 .49 37 .29 4 .52 43 .89

422 ARG NHl 32 .25 37 .75 4 .31 43 .39

422 ARG NH2 34 .12 36 .61 3 .57 43 .19

422 ARG C 33 .49 42 .66 6 .24 42 .18

422 ARG 0 34 .25 42 .59 5 .27 41 .12

423 LEU N 32 .33 43 .31 6 .18 42 .70

423 LEU CA 31 .88 43 .98 4 .97 42 .94

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33 33 33 33 33 33 33 33 33 CO n cn m cn n cn CΛ cn 33 33 33 33 33 33 G G G G G G G G G Ki Ki Ki G G G G G

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M M eo > CJ CJ 63 M eo M

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428 TYR OH 30..31 45.,64 14..23 43 ,.89

428 TYR C 26. .29 50. ,68 14. .10 43. .88

428 TYR 0 25. .08 50. .44 14. .00 44. .08

429 LEU N 26. .93 50. .64 15. .26 43. .60

429 LEU CA 26. .22 50. .25 16. .48 43. .09

429 LEU CB 27. .15 50. .34 17. .68 43. .90

429 LEU CG 28. .28 49. .30 17. .66 43. .69

429 LEU CDI 29. .18 49. ,49 18. .85 43. .34

429 LEU CD2 27. .67 47. ,90 17, .64 43 , .84

429 LEU C 24. .94 51. ,03 16. .75 44. .16

429 LEU 0 23, .94 50. .45 17 .17 43 .06

430 MET N 24, .96 52. .34 16 .53 42 .39

430 MET CA 23, .77 53. .15 16 .78 44 .36

430 MET CB 24, .12 54. .64 16 .78 45 .26

430 MET CG 23, .04 55. .54 17 .35 46 .07

430 MET SD 22, .59 55. .06 19 .02 47 .75

430 MET CE 24, .05 55. .61 19 .97 48 .33

430 MET C 22. .68 52. .86 15 .75 43 .90

430 MET 0 21. .50 52. .81 16 .09 42 .42

431 ALA N 23. .08 52, .68 14 .49 42 .79

431 ALA CA 22 .12 52, .38 13 .44 43 .12

431 ALA CB 22. .82 52, .33 12 .09 43 .41

431 ALA C 21. .47 51. .02 13 .75 44 .36

431 ALA 0 20 .25 50, .85 13 .66 43 .33

432 LEU N 22 .31 50, .05 14 .12 41 .67

432 LEU CA 21 .81 48, .72 14 .46 42 .49

432 LEU CB 22 .96 47, .81 14 .87 40 .54

432 LEU CG 22 .59 46, .34 15 .08 40 .99

432 LEU CDI 21 .99 45, .77 13 .81 39 .60

432 LEU CD2 23 .82 45, .58 15 .47 39 .51

432 LEU C 20 .80 48, .82 15 .60 43 .23

432 LEU 0 19 .77 48, .13 15 .60 42 .14

433 LYS N 21 .10 49, .67 16 .58 41 .30

433 LYS CA 20 .20 49, .86 17 .71 42 .92

433 LYS CB 20 .82 50, .79 18 .75 43 .15

433 LYS CG 19 .89 51 .10 19 .93 44 .22

433 LYS CD 20 .54 52 .05 20 .94 45 .94

433 LYS CE 19 .55 52 .44 22 .05 46 .52

433 LYS NZ 19 .21 51 .29 22 .93 47 .51

433 LYS C 18 .89 50 .46 17 .21 42 .10

433 LYS 0 17 .82 50 .02 17 .62 42 .14

434 ASN N 18 .98 51 .45 16 .33 42 .91 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo OJ oo 00 oo oo oo Ul Ul Ul Ul UJ UJ Ul Ul UJ Ul UJ Ul Ul Ul UJ Ul oo 00 00 J 00 00 oo 00 00 oo oo J 00 00 00 OO oo oo

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00 cn M O vo Ol o Ul ~J O lb vo CO co lb CO to M o 1 co CO to oo vo M lb CO CO to CO lb ^1 01 vo oo lb lb o 00 VD lb lb lb oo lb lb 00 lb lb lb lb 00 lb oo lb lb lb lb lb 00 00 lb lb lb lb lb lb lb lb 0J oo lb lb 00 oo oo oo 00 lb Ul lb lb to to to vo o o VD o O M o VD o vo o M M o O VD vo O M CO eo M M M o VD VD M M ui Ol CO oo vo M o o M on lb M ^1 UJ on co o VD ^J cn vo on o CO lb lb o ^J lb eo VO on CO on CO 00 CO CO VD vo 00 M lb M CO M M VO ] VD lb eo VD OO M cn o on oo lb M 00 M vo on o to M ] o ^1 vo lb Ul M VD O ^1 OO on M ro en O ui oo on to lb VO vo 00 o

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb lb lb

01 O l Ol Ol Ol Ol cn Ol Ol Ol Ol 01 Ol Ol o Ol Ol Ol Ol cn on oi Ol Ol Ol cn o cn Ol Ol cn cn cn σi σi σi σi σi oi σi σi

01 Ul Ul ui Ul ui Ul ui Ul ui Ul Ul lb lb lb lb lb lb lb lb 00 oo 00 00 oo 00 OO 00 to to to to to tO tO tO M M M M M M

TJ > > > > > > > > P P P P P P P P P P P P P P P P H H H Pi PH H H H i ι9 ι β ι9 β 33 33 > > 33 •pa 33 33 33 33 •pa > 33 33 33 ES ES ES ES ts S ES t S ES ts P P P P P P P P EC EC EC EC EC EC Ω G G G G G G G σs LS ES ES ts t I O Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω G G G G G G G G ts CS t ts ts tS fS tS 33 33 33 33 33 33

3 O Ω 2 2 Ω 2 Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 0 Ω Ω 0 Ω Ω EC EC IS ES O Ω 03 Ω Ω CO > Ω Ω 00

CO M > O CJ Ω 03 to M > J tj Ω CO to M > D M M to eo M

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

^1 1 -O CO lb 00 to CO M o vo vo 1 CO vo 1 CO 00 VD o M lb ui lb oo CO 00 Ul lb CO 00 on lb on on O ! Ol oo CO O

M _^) VD o CO M oo ^1 on oo M on o 00 to CO CO oo lb Ol VO ^ Ol lb VO cn VD VO on M Ul on oo Ul M CO vo eo vo Ol M 00

^J ^1 Ol eo ] to 00 M CO o lb lb ~0 CO vo O oo ^1 M o lb CO O M o 00 co 00 VO Ul lb o CO ^3 Ol vo CO o ^ vo VO M

UJ VO

~J M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M to to CO

CO M CO o O O to to OO eo OO lb on lb lb oi cn on on on lb on 00 Ol Ol 01 on Ol oo Ol Ol Ol lb on en ] ] ^1 o M O VO

01 VO O M _^) VO o VD 00 vo Ol O oo oo o ~j O 00 M vo M lb 00 lb oo M 00 O o VO O Ol vo ^1 on on O CO 00 to O o

M CO CO CO lb VO lb vo Ol oo on lb ^3 cn M M on lb lb oi CO o 00 lb 00 o lb -J lb Ul O VD Ul 00 eo on M O oo lb lb lb M M M M M M M M M M M M

CO on lb O M M M to oo 00 lb on Ul en o O vo 00 ! -o ^J ^1 on oo on on ] CO O vo 00 to o M o o VO O vo o O M

VO o o OO VO 00 cn 01 o to o 00 1 M lb 01 CO lb Ul 00 M M 00 VD 00 Ol o M M o O o o CO M -o vo on to ^J M CO

VO ^1 ] CO to o lb VD on vo to ] Ol OO to VD lb M to vo lb CO 00 cn CO o 00 O lb -J O to cn o oo M Ul cn on O O M

Ul on on on Ul on on Ul Ul on on on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb

CO eo M Ul lb lb CO CO eo M M o vo vo CO 01 ] 00 00 CO 00 ! Ul lb on Ol ] 01 01 Ol ui on Ol on Ul lb oo lb to 0J 0J OJ

OJ o vo O O on vo 00 oo on lb oo oo to M ^1 to o 00 ^1 cn ! o ^1 vo M lb lb 00 CO ~J 00 lb VD Ul 01 on M 01 01 M M to M o VD lb vo ui lb M cn Ol lb to co lb on J -o ro -j vo 00 oo CO M eo to VO co o CO o Ol on vo to lb cn t O on 00

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

-J ^1 ] ] ^1 ] ^3 ^1 ^ O O ! J -O on cn 01 Ol σi cn Ol Ol Ol Ol cn Ol on cn on cn cn cn cn cn cn Ol Ol Ol 01 01 cn Ol

M M M M M o O o O O O O O o vo vo VO vo vo VD VD VD vo CO CO CO 00 00 00 ι ^1 ^1 ι ] ^1 Ol Ol Ol cn Ol cn

< < < < Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P Ω Ω Ω Ω Ω Ω H ι-3 H H H H T TJJ TJ TJ TJ TJ TJ

> > > > > P P P P P P P P P Ki i Ki Ki Ki Ki Ki i Ki Ki Ki EC EC EC EC EC EC EC 33 33 33 33 33 33

P P P P P G G G G G G G G G cn CΛ CΛ CΛ cn CO cn cn cn cn CO CO cn CO cn 33 33 33 33 33 33 33 υ O O O O O

Ω Ω Ω Ω 3 O Ω Ω O Ω Ω Ω Ω 3 O Ω 3 Ω Ω Ω Ω Ω 3 Ω Ω CO Ω Ω 3 Ω Ω Ω O Ω Ω 3 Ω Ω Ω Ω Ω Ω

Ω Ω 03 63 03 ro > IS t fl 63 03 > ts ts ti 63 03 > > 63 63 03 ro > Ω 03 > D

M to M M

M M M M M M M M M M M M M M M M M M M M M M M M M M M M ^1 vo CO CO o on on 00 Ol ^1 1 Ul U 00 00 oo M CO M CO M M M o o CO M vo VO 00 CO 00 o oo ^1 ^1 on cn on on on ^1 cn o Ol o M vo M to o M O ui 00 00 VD OJ cn M 00 eo lb M 00 ui 0O M vo to vo ^1 M o 00 VD on lb oo CO 00 vo to

CO on 01 00 OJ cn CO Ol -o to O lb Ul VD UJ o CO lb 00 00 VO vo 00 lb 00 cn CO vo to to lb lb vo oo on on ^1 to to vo vo on

UJ

VO oo M M M M M M M M M M M M M M M M M M M M M M M M M OJ to OO CO lb t to to to to CO M M vo o vo VO M M O o vo M o oo ] 00 VO cn 00 oo oo 00 CO VD vo o oo to M OJ

M M M O to o 1 ^1 Ol to M 00 00 ^1 ^1 lb M lb Ul 00 ^3 M vo cn 00 o CO O cn 00 M lb CO lb to on M lb lb o VO to ro o co oo lb o Ol VO lb OO o lb Ol Ul on M lb M Ol CO vo Ul on on co 00 00 co co oo lb on to 00 VD

M M M M M M M M t o VO CO CO 00 oo OO Ul on Ul -O ^1 CO co lb CO IO o VO 00 o on cn lb Ul Ul lb lb 00 o M M to to 00 to M M to M lb o VO ^J VO to to lb to vo lb CO l cn Ul M M eo OO 00 OJ on VD lb ro 00 on O o lb 00 ui on 00 VD on 00 00

O on M Ul OJ M o Ul vo on t lb Ul lb CO o M 00 on ^3 VD CO CO on on cn lb on lb VO j 00 lb Ul cn o OO 00 00 M lb lb lb lb lb lb lb lb lb lb lb lb lb lb on on lb lb lb lb Ul on on Ul Ul U on Ul on on ui on on on ui on on on on on on on on Ol on cn 00 00 ^1 oo 00 VD M M co VD vo vo o o M CO CO cn 00 00 OJ lb lb on lb oo oo 00 to M to to t

O ^1 00 to M M J o Ol ^3 00 on 00 Ul oo cn M 00 oo oo vo Ol lb 00 o oo lb lb lb on o 00 vo vo ro on vo on on on on M o ^1 co ui o 1 VD vo to vo VD o 00 M CO 00 cn ^1 cn CO M to VD 00 Ol Ul 00 M 00 to co M Ol -0

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

^1 ^1 ^1 -J ^1 ^1 ^1 ^1 ^1 ^ ^1 ~J ] ^1 ^1 ] ^1 ] ^3 O ] J ^1 ] ^1 ^1 -J ^1 _^) ^1 ^J ^1 ^1 ^1 ^3 ^1 ~J —J ^—J ^J -J —3

^1 ^ ^1 -J Ol σi Ol Ol Ol 01 σi Ol Ul ui ui Ul lb lb lb lb lb lb lb lb lb lb lb OJ OJ OJ OO OO oo to to to to to CO to M M

> l > > > > > Ω Ω Ω Ω > > > > > > > cn cn cn CO cn cn < < < tn CO rn rn ro rn cn cn to cn cn cn P P P P 33 33 33 33 33 ^•pa 33 ^•pa 33 33 33 IS rs ts ts rs rs > > > ≤ ≤ ≤ ≤

TJ T3 TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ Ki 63 63 63 63 63 63 63 63 63 63 63 33 33 33 33 33 33 P P P P P P P P P

Ω Ω Ω 2 o Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω 2 O Ω 2 2 Ω 2 Ω Ω Ω Ω 2 Ω Ω o Ω Ω 2 Ω Ω Ω Ω Ω Ω 2 O Ω

Ω 03 > O O Ω 00 EC ts t 63 00 Ω 03 > t >

M > EC to M σ 63 03 > 63 to

OJ OJ 00 to oo CO 00 oo oo oo eo eo CO eo eo CO to CO M eo eo eo CO CO CO eo eo CO eo eo CO CO to co eo M M M M M CO M o M o vo O vo M CO M o vo CO on ^1 ^1 on lb lb VD eo M M Ul oo t 00 CO lb oo M eo eo M eo M VO 00 00 vo oo o vo

M O OJ CO Ul 00 VD M on lb Ul ^1 CO on M l VD oo VD o to ^1 M oo Ol lb 00 oo CO on 00 on CO o o 00 ^1 vo Ol eo M on O eo 00 O cn lb CO M M CO vo M vo oo CO 01 ui Ol 01 Ol 00 lb M o vo M CO oo IO lb oo CO lb vo CO VD M to

UJ

VO VO M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M OJ to M O 00 vo VD o VD oo vo O o o CO CO to CO o M o o o o M to lb on Ul 1 en on Ul Ul cn ^1 cn lb lb CO Ul

-J CO lb co ^3 on on o lb lb M CO to ^1 o oo O cn Ul M on lb Ul lb 01 vo o on CO 00 on oo 00 CO oo lb eo o CO lb 03 lb

M Ul CO lb oo 00 M cn CO o 00 M 00 CO ui o M eo co VD cn on to ^1 01 on 00 M ui M lb o on lb vo o UJ

M M M M M M M M M M M M M M M M M M M M M M M M M to 00 lb eo Ul CO 00 M O O M O M o O o CO vo lb Ul lb 00 CO M o o vo o VD o VD 00 oo Ol l lb cn cn Ol ^3 oo oo

VD 00 O 00 UJ ui 00 O O OO eo on ^J VD CO ^1 cn oo lb eo eo o cn M on on lb vo 00 VD Ul ui oo 00 vo o 00 vo VD OO CO eo VD vo -J M vo lb ^1 ^1 eo M t oo CO eo ui Ul VD VD o M oo M VD oo oo 00 eo CO o lb Ol ^1 ^3 to lb 01 lb lb lb lb lb lb on Ul on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ol oo 00 M vo cn ^1 on lb u ui Ul oo lb 00 lb 00 oo 0J lb on lb lb on on Ul lb lb to lb oo oo lb lb lb lb Ul on CO Ul 00 O oi cn O cn Ul CO o oo lb lb o vo CO ~J ^J CO on CO lb M 00 vo _^1 M o Ul VD vo vo CO 00 Ul vo cn M M Ul vo on M VD 00 lb lb vo o cn 00 VO 00 M o CO Ul O 00 vo Ul oo lb cn M lb 00 00 lb o 00 vo 1 CO M o oo Ol

01 on Ol Ol Ol 01 01 en 01 on on 01 Ol Ol Ol 01 01 Ol on cn 01 Ol Ol Ol cn lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

CO eo eo to CO to to M M M M M M M M M M o o o o o o o o ] -J ^1 J 1 ~J -J -J -J ^1 ^J J ] ^1 ^1 ^1

Ol ui lb oo CO M o VD co ι 01 on lb 00 to M O vo oo -O cn on lb 00 CO CO co co oo 00 00 00 CO CO 00 00 CO oo -J ^1 ^1 ^1

EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC P3 ι ^►9 ι ι-3 ^P3 ι-3 ^P3 ι9 ^P3 ^P3 ι9 ι > > > O O O O O O O O O O O O O O O o O O O O O O O O O Ki K; Ki Ki Ki Ki Ki Ki Ki Ki > in cn cn cn EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC 3J 33 33 33 33 33 33 33 33 33 33 33 33 TJ TJ TJ TJ

O O O O O O O O O O O O O O O O O O O O O O O O O

to oo to oo to lb to to oo lb lb M oo to M IO 00 eo CO M UJ to ro eo to to CO CO CO CO CO to CO eo to CO OJ CO lb oo cn oo o 00 lb vo ro o ^1 oo o M lb CO M M Ol lb ^1 lb 01 co on lb on on Ol cn on on co oo ^1 cn co vo vo o VO ro Ul to o on o ui M Ul o o CO oo 1 CO O eo M oo 1 vo on on vo vo CO vo M M o M vo o lb eo 01 o vo VD oo lb lb vo o Ul ro o OO on on to on VD on vo M M on IO Ul 00 M cn 00 Ol 00 VD CO On vo 00 OJ 00 lb on to M lb lb to to oo lb 00 Ul to lb 00 CO M CO M lb 00 CO 00 00 CO oo to M M M M M M M M M M M M M M M M M vo to o VD 1 lb CO vo Ol Ol ro ^ VD on vo on lb o co on o vo o CO eo co 00 ~J cn on cn on lb 0O eo to M M lb 00 cn lb o lb Ul o o Ul M CO o O eo to 00 cn ui vo cn lb CO vo to lb M on 00 Ul CO 1 lb lb to Ol CO M o to on VO lb

M 00 o to vo lb to σi Ol oo 00 ui o CO 1 vo Ol o o cn co M oo UJ ^1 00 lb M 00 M 00 CO o on on M oo o Ul M M oo M M oo to M OJ to M 1 CO eo CO CO CO M M M M M M M M M M M M M M M M M

O OO o on lb ^1 M on ^1 lb 00 o cn M on 00 vo CO vo M CO M o 00 oo on oo lb lb on on Ol lb on 01 cn on lb Ol Ul CO CO

O M o o Ol M VO lb on o M lb CO 00 oo lb Ul lb M oo O co vo cn on VO ui o CO vo Ul M 1 J ^J oo M -J on o J o o Ol M Ul 01 1 lb on 00 00 to l 00 o to CO 00 o o on ^J lb o 00 OO Ul o lb oo eo O oo eo CD o Ul CO on

M lb M lb lb lb lb lb lb on lb Ul OO lb M lb on lb 00 00 lb Ul oo Ul UJ lb lb lb lb lb 0J lb lb 00 lb lb lb lb lb lb lb lb 00 00 00 vo on to Ol 00 vo o lb lb vo on oo o CO 00 CO o CO 00 oo oo 00 OO 00 o o vo o o vo o M M CO oo lb lb lb lb VO lb -J to lb Ul Ul M M on lb CO vo lb ui on lb lb oo M Ul M 00 oo o lb ^ Ol o 00 CO ^1 _^3 on eo Ul cn on

00 00 00 on lb 01 00 M on to lb o on 00 ^1 Ul M on eo ^1 oo oo M o 00 UJ on UJ M CO lb cn M o -_^1 cn Ol Ol o

627 HOH O 13,.67 32..92 12..00 45..55

628 HOH O 32, .20 42. .84 16. .05 37. .56

629 HOH O 19, .24 32. .17 9, .89 43. .85

630 HOH 0 20, .32 16. .32 -12. .42 46. .24

631 HOH 0 4, .76 1. .19 5. .00 53. .02

632 HOH 0 20, .49 57. .66 16. .20 40. .98

633 HOH 0 40, .08 33, .85 28. .27 45. .58

634 HOH 0 37, .19 13, .76 25. .30 52. .71

635 HOH 0 31. .95 39, .38 22, .37 42. .09

636 HOH 0 14. .17 20, .15 20, .39 48. .61

637 HOH 0 16. .53 35. .45 23. .37 50. .75

638 HOH 0 34, .94 25. .65 32. .87 49. .69

639 HOH 0 39. .78 27. .18 33. .11 45. .28

640 HOH 0 35. .24 31. .73 29. .17 48. .56

641 HOH 0 44, .90 23. .44 10. .46 50. .32

642 HOH 0 38, .19 35. .46 20. .99 43. .13

643 HOH 0 35, .30 40. .29 10. .97 49. .63

644 HOH 0 30, .09 37. .49 2, .17 50. .03

645 HOH 0 24, .37 28. .87 -5, .80 52. .65

646 HOH 0 17, .42 6. .13 29. .81 46. .97

647 HOH o 15, .45 35. .93 1. .36 55. .42

648 HOH 0 31, .14 14. .95 9, .85 51. .98

649 HOH 0 44. .88 23. .52 16. .86 42. .27

650 HOH 0 33. .09 50, .04 13. .77 50. .92

651 HOH 0 17. .51 24, .06 41. .70 50. .26

652 HOH 0 9 .09 28, .19 4. .01 49. .24

653 HOH 0 26. .94 26, .03 -3, .69 48. .83

654 HOH 0 11 .63 22. .78 26. .27 47. .55

655 HOH 0 14 .80 55, .46 -0. .73 48. .43

656 HOH 0 27 .33 54, .18 16 .59 49, .25

657 HOH o 45 .58 35. .20 22 .73 55. .48

658 HOH 0 4 .26 4. .49 3 .51 50. .22

659 HOH 0 4 .35 18. .84 0 .38 51, .46

660 HOH 0 25 .45 54 .11 13 .64 49, .69

661 HOH 0 28 .77 30. .00 10 .68 36, .66

662 HOH 0 3 .24 14 .48 -6 .56 49, .02

663 HOH 0 13 .55 57 .49 8 .92 51, .28

664 HOH 0 1 .16 5 .30 16 .15 51, .53

665 HOH 0 19 .64 5 .41 6 .21 48. .15

666 HOH 0 38 .78 17 .24 7 .79 47. .81

667 HOH 0 44 .87 28 .83 11 .13 48. .52

668 HOH 0 37 .56 40. .74 25. .89 49. .78 669 HOH O 17..34 46.,95 0.,07 41.,22

670 HOH O 10. .77 33. ,65 18. ,09 48. .56

671 HOH O 14. .77 32. ,36 25. .87 57. ,27

672 HOH O -1. .85 32. .76 24. .10 49. .37

673 HOH O 36. .26 47. .92 29. .91 49. .03

674 HOH O 29. .14 46. .90 2. .50 49. .27

675 HOH O 36. .66 46. .08 2. .95 54. .01

676 HOH O 17. .05 17. .17 37. .89 51. .11

677 HOH O 33. .54 16. .53 23. .00 51. .60

678 HOH O 25. .39 28. .79 -8. .94 52. .26

679 HOH O 21. .09 3. .30 15. ,18 51. .00

680 HOH O 12. .25 12. .14 34. .24 45. ,68

681 HOH O 14. .39 35. .51 -1. .79 47. ,97

682 HOH O 40. .18 26. .19 3. .10 51. ,53

683 HOH O 23. .57 1. .64 9. .72 46. .98

684 HOH O -1. .22 9. .37 4. .66 54. .47

685 HOH O -1, .64 3. .24 13. .32 55. .04

686 HOH 0 25. .71 12. .79 46, .16 44. .48

687 HOH 0 -1. .23 48, .57 19, .79 52. .55

688 HOH 0 ^' 9. .50 3 , .63 17, .84 52. .45

689 HOH 0 42 .45 14, .55 28, .65 48. .66

690 HOH 0 -0 .82 51, .88 7, .82 51. .41

691 HOH 0 -1 .98 15, .04 -0, .61 51. .00

692 HOH 0 22 .35 -3 .85 6 .10 48, .67

693 HOH 0 18 .42 42 .20 24 .20 51, .39

694 HOH 0 5 .47 13 .43 -8 .73 51, .61

695 HOH 0 2 .39 -1 .06 -1 .44 47, .95

696 HOH 0 12 .57 30 .51 22 .32 51, .86

697 HOH 0 11 .27 55 .29 10 .25 50, .61

698 HOH 0 20 .48 11 .63 40 .41 48. .20

699 HOH 0 38 .03 15 .52 13 .50 47 .46

700 HOH 0 13 .91 3 .46 4 .63 53 .79

701 HOH 0 25 .00 42 .32 -3 .18 47 .61

702 HOH 0 12 .42 39 .30 24 .53 49 .64

703 HOH 0 34 .85 9 .29 31 .25 51 .65

704 HOH 0 14 .27 13 .35 37 .60 47 .64

705 HOH 0 36 .72 37 .27 4 .84 53 .67

706 HOH 0 14 .95 49 .61 0 .00 18 .48

707 HOH 0 28 .70 16 .82 -16 .00 53 .49

708 HOH 0 0 .81 15 .82 8 .41 51 .74

709 HOH 0 18 .81 41 .63 31 .07 50 .35

710 HOH 0 45 .34 20 .68 16 .77 50 .40 711 HOH O 37..71 24..90 36..40 51..86

712 HOH O 6. .23 49. .61 0. .00 18. .48

713 HOH O 46. .84 23. .64 13. .80 53. .31

714 HOH O 42. .83 40. .95 14. .60 53. .97

715 HOH O 1. .78 48. .46 10. .76 53. .42

716 HOH O 0. .08 37. .80 21. .39 54. .97

717 HOH O 11. .71 8. .17 26. .46 53. .70

718 HOH O 45. .37 19. .60 13, .31 52. .29

719 HOH O 46. .05 38. .61 16, .58 46. .64

720 HOH O 9. .50 -1. .25 -2, .55 49. .44

721 HOH O 25. .16 8. .82 7, .73 47. .59

722 HOH O 39. .59 26. .73 40, .73 49. .61

723 HOH O 28, .27 11. .96 3 , .34 53. .37

724 HOH O 5. .11 2. .01 8, .39 51. .48

725 HOH O 7. .43 29. .58 7, .75 52. .68

726 HOH O 30, .53 20, .30 39, .95 44. .72

727 HOH O 44, !64 16, .28 17, .23 51, .48

728 HOH O 33, .04 11, .37 -8 .65 50, .50

729 HOH O 34, .59 3, .80 -10 .98 51, .30

730 HOH O 40, .36 43, .93 22 .55 50, .15

731 HOH O 9, .94 44, .65 26 .67 51, .20

732 HOH O 1, .38 11, .58 6 .03 53, .24

733 HOH O 26 .16 45, .30 0 .63 52, .89

734 HOH O 26 .33 43, .30 -5, .73 49, .87

735 HOH 0 34 .67 32, .15 -0. .66 54, .25

736 HOH 0 37 .86 17, .18 20 .95 51, .12

737 HOH 0 1 .78 2, .35 18 .35 47, .59

738 HOH 0 30 .23 30, .30 34 .82 49, .65

739 HOH 0 3. .90 -3, .19 0 .08 53, .95

740 HOH 0 3, .60 45, .75 20 .20 53, .99

741 HOH 0 -3 .76 10, .72 -6 .09 48, .61

742 HOH 0 -0. .75 1, .76 15 .75 50, .55

743 HOH 0 32 .02 50, .57 2. .53 50, .48

744 HOH 0 11 .15 17 .11 -8 .51 50. .76

745 HOH 0 46 .90 26 .14 4 .58 53 .32

746 HOH 0 29 .69 13 .36 4 .79 51 .71

747 HOH 0 36 .13 49 .61 0 .00 18 .48

748 HOH 0 6 .78 8 .74 18 .96 51 .28

749 HOH 0 37 .02 38 .29 27 .86 51 .73

750 HOH 0 44 .85 11 .78 25 .33 18 .48

751 HOH 0 39 .03 51 .90 29 .22 48 .57

752 HOH 0 1 .64 36 .01 10 .31 51 .07 753 HOH O -2..36 25..38 22,.05 48,.36

754 HOH O 33. .12 34. .68 28, .07 53, .19

755 HOH O 31, .12 40. .89 31, .95 54, .62

756 HOH O 11, .78 52. .95 23. .95 50, .40

757 HOH O 31, .88 17. .79 -13, .62 51, .21

758 HOH O 14, .05 35. .63 10, .01 50, .97

759 HOH O 39, .92 39. .21 12, .57 51, .04

760 HOH O 8, .07 19, .52 -8, .88 52, .10

761 HOH O 33, .67 46, .97 15, .12 55, .60

762 HOH O 6, .29 23, .02 29, .27 51, .91

763 HOH O 36, .12 29, .28 33, .37 50, .54

764 HOH O -2, .98 22, .39 18 .70 49, .88

765 HOH O 36, .87 17, .57 -16, .34 56, .15

766 HOH O 24, .94 44, .22 23 .74 48, .86

767 HOH O 17, .80 5, .96 24 .74 54. .48

768 HOH O 29, .43 36, .07 -2 .52 48, .28

769 HOH O 10, .80 37, .95 4 .23 55, .21

770 HOH O 25, .50 -5. .13 8 .86 52, .70

771 HOH O -0, .04 6, .75 19 .48 52, .02

772 HOH O 46 .72 11 .58 3 .40 46, .63

773 HOH O 3 .01 29, .84 19 .22 52, .12

774 HOH O 37 .90 37 .38 0 .95 51. .03

775 HOH O 6 .93 51 .04 16 .94 53 , .11

776 HOH O 23 .74 -5, .53 13 .91 52. .29

777 HOH O 7 .29 52 .06 26 .35 49. .08

778 HOH O 35 .39 31, .51 -5 .24 53. .32

779 HOH 0 30 .94 34 .79 -7 .78 56. .09

780 HOH 0 38 .66 24 .09 -4 .69 52, .48

781 HOH 0 3 .97 16 .32 28 .18 54, .97

782 HOH 0 -3 .67 36 .06 17 .62 53, .14

783 HOH 0 15 .03 43 .52 22 .19 53, .32

784 HOH 0 7 .60 54 .52 30 .86 53 .98

785 HOH 0 9 .68 19 .46 33 .96 53 .19

786 HOH 0 34 .01 38 .40 -3 .55 49 .87

787 HOH 0 39 .98 27 .51 7 .57 50 .94

788 HOH 0 8 .90 48 .98 28 .17 48 .19

789 HOH 0 25 .70 -1 .51 17 .48 49 .85

790 HOH 0 9 .00 56 .98 34 .77 52 .92

791 HOH 0 7 .03 43 .14 29 .81 52 .91

792 HOH 0 29 .39 38 .28 33 .03 51 .05

793 HOH 0 39 .20 12 .72 4 .22 49 .24

794 HOH 0 17 .64 -4 .51 8 .94 49 .72 795 HOH O 27..49 6..76 14..02 52..26

796 HOH O 17. ,44 12. .44 -5. .35 55. .39

797 HOH O 20. ,97 17. .71 40. .42 47. .91

798 HOH O 4. .31 2. .53 16. .20 50. .44

799 HOH O 34. .80 13. .97 40. .52 49. .87

800 HOH O 34. ,23 34. .00 -7. .98 52. .14

801 HOH O 3. ,44 34. .55 5. .27 49. .87

802 HOH O 38. .77 8. .60 30. .42 52. .65

803 HOH O 4. .40 -1. .47 13. .25 51. .90

804 HOH O 0. .00 40. .31 25. .33 18. .48

805 HOH O 36. .76 37. .94 8. .25 51. .28

806 HOH O 37. .99 46. .60 19. .41 53. .11

807 HOH O 30. .39 7. .02 34. .17 54. .45

808 HOH O 15. .27 37, .51 33. .62 53. .41

809 HOH O 1. .08 49, .76 24. .05 55. .54

810 HOH O 14. .39 6, .87 30. .31 55. .15

811 HOH O 43. .02 9, .13 23. .92 54. .28

812 HOH O 46. .41 19, .40 8. .15 50. .48

813 HOH O 41. .41 10, .74 12. .83 52. .50

814 HOH O 37. .79 11, .87 37, .57 56. .03

815 HOH O 30, .54 11 .33 25, .93 49. .00

816 HOH O 27, .92 39 .61 -2, .60 54, .81

817 HOH O 16, .20 0 .00 0, .00 18, .48

818 HOH O 15, .11 38 .17 21, .59 53, .35

819 HOH 0 27, .73 31 .95 -8, .50 58, .15

820 HOH 0 -2, .57 36 .56 24, .40 50, .86

821 HOH 0 1, .57 33 .40 20, .98 52, .32

822 HOH 0 21, .09 -10 .27 13, .22 59. .35

823 HOH 0 38 .90 41 .48 16, .80 45, .93

824 HOH 0 10 .00 25 .48 25, .60 52, .02

825 HOH 0 -0 .43 27 .97 18, .56 53, .53

826 HOH 0 38 .50 49 .92 8, .95 51, .45

827 HOH 0 28 .85 23 .45 -2 .76 49 .08

828 HOH 0 41 .54 38 .57 29 .43 53 .32

829 HOH 0 31 .29 8 .01 -11 .14 50 .40

830 HOH 0 26 .96 38 .60 -0 .16 50 .72

831 HOH 0 36 .28 11 .84 12 .22 49 .77

832 HOH 0 37 .96 44 .03 13 .45 50 .59

833 HOH 0 26 .61 10 .37 -5 .19 47 .53

834 HOH 0 16 .92 25 .89 -5 .99 51 .59

835 HOH 0 -1 .12 4 .33 -7 .99 52 .39

836 HOH 0 29 .16 37 .04 39 .23 52 .30 837 HOH O 17..61 45..91 24.,55 50..18 838 HOH O 12. .71 39. .87 29. .67 51. .30 839 HOH O 24. .61 47. .08 27. .31 55. .01

840 HOH O 24. .66 2. .56 19. .80 55. .15

841 HOH O 44. .26 15. .89 10. .05 51. .00

842 HOH O 27. .36 7. .66 30. .08 52. .00

843 HOH O 10. .84 27. .24 38. .64 54. .42

844 HOH O 44. .47 11. .22 21. .24 52. .34

845 HOH O 6. .45 48. .34 34. .38 51. .70

846 HOH O -1. .09 34, .60 16, .05 59. .30

847 HOH O 25. .85 7. .04 -2. .50 50. .52

848 HOH O 43. .77 41. .92 28. .73 54. .15

849 HOH O 3. .47 15. .97 -9. .40 53. .59

850 HOH O 4. .46 55. .64 9. .35 52. .59

851 HOH O 25. .99 7. .87 20. .41 52. .27

852 HOH O 7. .45 26. .07 27, .88 53 , .79

853 HOH O 14. .74 40, .02 27, .49 49. .69

854 HOH O 36. .17 24, .92 42, .89 52, .71

855 HOH O -1, .43 7, .44 7, .34 50, .37

856 HOH O 36. .90 34, .86 -8, .38 52, .85

857 HOH 0 -3, .23 25, .13 9, .86 46, .58

858 HOH O 11. .25 55. .33 25 .82 52, .73

859 HOH O -2 .05 56 .63 9 .24 57, .42

860 HOH O 6 .23 14 .11 -14 .32 53. .94

861 HOH O -4 .86 27 .20 15 .54 56. .51

862 HOH O -2 .60 34 .31 12 .29 48. .04 863 HOH O 15 .89 22 .70 -8 .69 48. .78

864 HOH O 31 .71 4 .55 14 .68 49 .12

865 HOH O 29 .06 44 .77 27 .76 54 .03

866 HOH O 9 .43 30 .73 21 .12 54 .88

867 HOH O 27 .03 -0 .43 11 .48 53 .25

868 HOH O 9 .54 13 .57 31 .30 50 .57

869 HOH O 8 .00 9 .75 31 .14 49 .82

870 HOH O -2 .70 17 .91 3 .08 53 .16

871 HOH O 13 .26 3 .12 20 .84 51 .80

872 HOH O 0 .77 48 .01 16 .23 50 .52

873 HOH O 30 .50 4 .76 7 .03 53 .27

874 HOH O 29 .13 47 .17 24 .96 52 .90 875 HOH O 0 .00 45 .27 25 .33 18 .48

876 HOH O 31 .02 10 .26 -3 .48 52 .14

877 HOH O 33 .24 45 .32 30 .11 51 .39 878 HOH O 2 .43 33 .02 12 .60 48 .65 879 HOH O 0..16 24..87 14..36 52..75

880 HOH O 40. .13 15. .42 40. .46 55. .35

881 HOH O 2. .79 29. .66 11. .35 53. .23

882 HOH O 16. .81 50. .99 3. .76 51. .07

883 HOH O 18. .82 48. .25 22. .44 52. .29

884 HOH O 44. .73 12. .62 5. .55 54, .63

885 HOH O 28. .06 51. .32 8. .93 51, .19

886 HOH O 42. .25 25. .29 -3 , .33 53, .18

887 HOH O 47, .26 17. .22 15. .56 49, .62

888 HOH O 41. .53 16. .05 22. .20 55, .62

889 HOH O 46. .17 31. .82 19. .50 49. .24

890 HOH O 48. .63 6. .81 -0. .43 52. .01

891 HOH O 39. .83 4. .21 -4. .24 52. .26

892 HOH O -4. .84 50. .76 5. .66 53. .89

893 HOH O 27, .86 3. .42 21. .29 54. .58

894 HOH O 32. .64 11. .75 34. .44 51. .01

895 HOH O 33, .42 37. .44 25. .87 54. .63

896 HOH O 33, .52 4. .39 16, .99 53. .35

897 HOH O 18, .81 21. .04 -6, .28 53, .84

898 HOH O 35, .90 39. .74 1, .64 55, .27

899 HOH O 9, .56 26, .23 -0, .08 52, .30

900 HOH O -8 .71 55, .93 3, .24 50, .99

901 HOH O 19 .45 -7, .03 7 .94 53, .36

902 HOH 0 44 .37 4, .36 1 .68 50 .53

903 HOH 0 43 .36 12, .35 8 .53 54 .09

904 HOH 0 10 .39 55, .21 30 .72 47 .79

905 HOH 0 12 .50 37, .18 18 .74 51 .18

601 INH Cl 16 .69 29, .92 18 .36 52 .32

601 INH C2 16 .15 30, .40 19 .62 52 .94

601 INH N3 17 .45 28, .72 18 .30 51 .46

601 INH C4 16 .42 30, .67 17 .16 53 .23

601 INH C5 15 .38 31 .62 19 .62 54 .01

601 INH C6 16 .35 29 .70 20 .99 53 .28

601 INH C7 18 .67 28 .52 17 .77 51 .35

601 INH C8 15 .65 31 .87 17 .18 54 .04

601 INH C9 15 .14 32 .34 18 .40 53 .71

601 INH CIO 17 .64 30 .13 21 .71 53 .22

601 INH Cll 16 .27 28 .16 20 .93 52 .35

601 INH N12 19 .69 29 .32 17 .64 50 .56

601 INH N13 19 .02 27 .28 17 .26 50 .59

601 INH C14 20 .66 28 .57 17 .04 51 .16

601 INH N15 20 .30 27 .29 16 .78 50 .59 M M M M M M S

M M M M M M M M M M

OJ UJ Ul Ul CO CO CO CO eo eo co co eo M M O O O α

H H 1-3 1-3 Ω Ω Ω Ω Ω Ω Ω Ω Ω < < < < < < < P P P P P P P P P

EC EC EC EC P P P P P P P P P κj κ; κi κ; κi κ; κ; H<

33 33 33 33 3 3 3 3 3 3 2 2 2 P P P P P P P cn cn cn cn cn co cn cn cn

O Ω Ω 3 Ω 3 O Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 Ω 3 Ω Ω 3 Ω Ω Ω Ω o Ω 03 IS LS CJ Ω 03 63 63 03 > > LS rs ti 63 03 s CO M co M

lb lb lb lb lb 00 00 00 00 oo oo oo OO 00 00 OJ 00 oo 00 00 oo 00 00 00 Ul OJ lb 0J 00

M eo M O o VD on ι cn ^1 -O CO ] vo CO CO vo vo CO CO o on on cn CO vo o vo -o to M lb M o lb on ] CO M o o ^1 Ol ui ^1 o M M o o Ol vo vo 00 cn eo lb VD

^3 eo CO O lb VD on lb lb on on Ol VD vo co 01 eo CO ^J Ol 00 lb ^1 OJ cn eo CO lb CO M M M M M M M M M M M M M M M M M M M M M M M M M M M M

O VO ^3 -O ui Ol vo vo vo ! cn on ui Ul ui to to 00 lb lb on on lb lb VO CO Ol cn *<

CO M CO ^1 Ul on eo ^1 o cn on cn Ol VD 00 M 00 o CO VO on vo CO CO on vo vo Ol CO

VO VO -J ^1 CO o CO vo o CO CO 01 Ul o on M ] vo vo M CO ^1 03 -J o lb M O oo

1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 O O O O o o o o o o o M CO oo oo on to lb lb on 00 on cn 00 CO ^1 N

M Ul O on Ul ] CO M lb vo o IO to oo eo oo CO to CO on Ol o vo CO lb CO CO co on

-O CO lb CO oo 00 oo oo 00 vo -j lb Ul vo lb lb Ul M CO lb oo on on vo lb on cn lb M on ui Ul on on on on ui on on on ui ui on ui on ui on on ui on on on on on ui ui on on

M M M CO M CO o o M M M to to eo eo M eo to eo 00 00 00 00 oo CO eo to to oo ω

OJ CO 00 o Ol o o vo M o on M 00 Ul in vo M Ol cn on lb 00 lb Ul on Ul 00 lb on on Ol Ol oo lb co on ^1 lb lb M O vo M CO ~0 o on o vo o 00 oo M vo M M oo ^1

M M M M M M M M M M M M M M M M

M M M M M M M M M M M M M M M M M

VO VD VD CO CO CO CO 00 00 ^1 cn cn cn Ol 01 ui ui ui ui Ul ui Ul lb lb

TJ TJ TJ TJ ≤ <; ≤ <: cn cn cn cn cn cn TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ > > > > H H H 33 33 33 33 3 E≤ E tS tS CS LS tS ES 33 3J 33 33 33 33 33 33 33 33 33 33 33 33 co cn cn cn cn cn ccnn in EC EC EC O O O O P P P P P P P 33 33 33 33 33 3 0 0 0 0 0 0 O O O O O O O O TJ TJ TJ TJ TJ TJ TJ T3 33 33 33

Ω Ω Ω 2 O Ω Ω Ω Ω Ω £ 3 O Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω O Ω O O Ω Ω Ω 2 Ω Ω Ω 03 > CJ 63 63 03 Ω 03 CJ Ω 03 > CJ CJ CJ Ω 03

CO > 63

M > 63 03 > to M to

00 00 00 00 00 OJ 00 00 OJ 00 OO 00 00 lb lb 00 00 00 00 00 OJ 00 00 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb to 00 lb lb lb on CO 01 σ cn ^1 ^1 ^3 0 0 00 00 VD CO -0 CO vo VD M M lb 00 CO lb CO M to Ul 00 lb lb CO to 0 M CO on 0 CO lb Ol M on 00 vo 01 lb Ul CO ui 0 cn lb Ul CO 00 lb eo 00 lb O 0 to M to vo 0 CO lb on 00 VD -0 on Ul 00 on 0 VO lb 0 00 0 M vo 00 O Ul 0 ^J M VD on CO 00 VD 0 00 0 CO VO 01 M Ul 0 M 01 CO 00 σi 00 ^1 M ^1 00 Ol M

CO eo to CO CO eo CO M to to to CO to to CO CO CO CO eo to CO eo to to CO CO eo to CO CO CO M M M M M M M M M M M 00 CO OJ CO 0 M 0 VD 0 M CO lb 00 to 00 00 CO 00 CO 0 M M M M M M CO CO M O O CO CO J CO ^1 ^1 J ^1 VO

CO CO ^1 J vo ^J 0 CO CO cn M eo 00 -0 vo cn 01 00 -J Ol on 0 00 00 Ul 0 00 to on O 00 vo O lb ^1 01 Ol vo CO M vo CO on on lb 01 VD vo lb 00 M ui 0 -0 0 vo M M cn 0 01 lb 00 to 00 M lb eo 00 00 VD OJ lb 00 -J CO M 0 OO

1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 00 to lb 00 M to 00 lb 00 to M CO M M 0 0 O CO M lb 00 CO on OJ to 00 00 lb lb OJ lb lb lb on on on 00 00 to to M CO vo 00 M M 00 on lb Ul to 00 -O 00 on 00 01 00 01 00 VD 00 00 M 1 00 lb lb 01 on lb O lb 0 vo M lb vo lb O M lb O to 0 OO 0 on M VD CO 01 O vo 01 00 0 00 lb on 00 to 0 lb CO M M lb O on to 01 0 00 CO vo 00 01 00 lb on on lb lb lb lb lb lb lb on Ul on Ul on on on Ul on Ul on on lb on on on on on Ul lb Ul Ul on Ul Ul on on Ul on on Ul on on 0 O VD vo vo vo CO 00 vo 0 O M 0 eo M M to M M 0 O vo 0 00 M M M eo vo M 00 CO CO to CO M CO M eo M eo M

OJ M CO ^3 on CO 00 VD on M O vo on 00 00 CO ui CO ^1 vo on vo lb M on lb Ul lb 0 M lb Ul to vo CO on -0 01 on 00

0 CO eo on OJ 00 01 01 vo CO O 00 0 CO Ol 00 lb VD M ^J lb 0 00 CO lb 00 M on OJ M 01 on VD VD 0 M ^J M vo

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M ro ro to to to to to to CO co co CO eo CO to CO to to CO CO to CO CO to co co CO ro CO CO CO CO CO to to to co to to M M M lb lb lb lb lb lb lb lb lb OJ OJ 00 00 00 00 oo 00 to to to CO to CO to eo M M M M M M o O O o O o o O VO VD VO ι-3 ι9 ι9 H H ι9 H H H P P P P P P P P H H H Pi H H H TJ TJ TJ

Ki Ki Ki Ki rs rs rs rs rs rs rs > > Ω Ω Ω Ω Ω Ω H ts tn tn c >n cn cn cn cn >ω Ki Ki Ki Ki P P P P P P P P 33 33 33

33 33 33 33 33 33 33 33 33 G G G G G G G G TJ TJ TJ TJ TJ TJ TJ TJ CΛ CΛ CΛ CΛ CΛ CΛ LS LS ts ts ts LS IS ES O υ υ

Ω Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 o Ω Ω Ω Ω Ω Ω 2 O Ω CO Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω ts LS ES CJ 63 03 > O O 63 03 > CJ Cl 63 03 63 03 63 63 03 to αto M M to M CO M σ M M to > 63

to CO to CO eo eo IO CO 00 00 00 oo oo 00 00 00 00 00 oo 00 00 oo oo 00 oo eo co to to CO to CO eo 00 CO eo to 00 00 00 OJ 00 vo vo oo 00 ι co ^3 co o M M on 00 Ul CO CO ro oo CO 00 eo 00 00 eo M vo vo vo 00 00 VD VD vo M vo oo VD o M CO to oo

O to CO 00 vo eo oo vo M 00 eo M CO CO Ol oo M lb 01 01 co 00 lb to M ui vo CO M CO on lb ! o vo ui 00 lb to on t -J o cn 00 cn VD on vo ^j Ul lb lb o eo Ul o VD o lb on M oo M VD Ul vo CO o -J vo CO o vo cn M M -J o o o Ul Ol Ol

J o M M M M M M M M M M M M M M M M M M M to co eo CO CO CO M CO CO CO to eo M M M to M CO CO CO CO CO CO

00 lb on eo OO lb Ul ui 01 lb on Ol ^1 ^ Ol cn co CO co oo CO eo M o o vo o Ul CO o M oo vo vo o CD o o M o M lb lb co ui CO on VO ^1 ] lb cn CO ] o eo Ol _^! M M ^1 lb lb lb o M oi 00 lb on M 00 o oo VD Ul on CO to M lb Ol ui ^3

00 lb ^1 on o o ] oo Ul M lb CO lb CO M on lb on 00 co VD on vo vo to Ol M ] ] ^J lb to Ol ui o VD eo oo o CO Ul ]

1 1 1 I 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CO CO 00 OJ lb lb Ul Ol Ol Ul Ol lb M oo lb Ul on ^1 ^1 VD ^1 Ol ^1 Ol on cn Ul lb lb oo o o M M to CO oo oo lb lb lb on lb oi on 00 vo ui VD o M vo lb M cn VD 00 o ro o CO CO 00 lb 1 ^J lb M en 00 o 01 ui M M M to CO 1 o o

CO ^1 00 VD M o vo Ol o ^J on M co oo M CO CO o on lb on CO o CO CO Ul M ui M 01 01 o eo CO 00 cn vo on OJ VD o 01 on on lb Ul on lb Ul on Ul Ul on lb lb lb Ul Ul on lb on on on Ul on on on on Ul Ul Ul Ul Ul lb on lb lb lb lb lb lb lb lb lb

M O VO o o VD o M o o o vo vo VD o o o VD o M M o M o o o M -J lb CO o vo o -J CO 00 oo VD vo VD VD vo o cn 00 on M ^J ^ M CO oo 01 lb 01 ^1 M o lb ^ on lb 00 Ol o Ol 1 M 00 CO o o CO lb o 00 lb ^1 1 on on VD CO on

O CO M M CO Ol cn ] lb lb VD on M Ul M t Ol o CO -J o o Ul 00 co oo oo CO o 00 lb 00 vo cn M on lb VD 00 Ol cn CO

124 TYR OH 29..39 12..77 -1..31 51..12

124 TYR C 28. .46 16. .40 -8. ,23 50. .72

124 TYR 0 27. .42 17. .06 -8. ,22 50. .57

125 PRO N 29. .20 16. .25 -9. .34 50. .82

125 PRO CD 30. .44 15. .44 -9. .35 50. .95

125 PRO CA 28. .94 16. .80 -10. .67 50. .51

125 PRO CB 29. .94 16. .06 -11. .55 50. .52

125 PRO CG 31. .11 15. .89 -10. .62 50. .45

125 PRO C 27. .52 16. .68 -11. .21 50. .97

125 PRO 0 27. .05 17. .54 -11. .96 50. .55

126 ASN N 26. .84 15. .60 -10. .84 51. .21

126 ASN CA 25, .48 15. .38 -11. .33 51. .04

126 ASN CB 25. .16 13 , .89 -11, .24 51. .75

126 ASN CG 25. .43 13. .32 -9, .86 51. .28

126 ASN ODl 26, .58 13. .24 -9, .42 51. .79

126 ASN ND2 24, .36 12. .93 -9, .17 52. .04

126 ASN C 24, .44 16, .20 -10, .58 51. .05

126 ASN 0 23, .27 16, .27 -11, .00 50. .59

127 GLY N 24 .84 16, .80 -9, .47 50. .78

127 GLY CA 23 .91 17, .61 -8 .71 50. .43

127 GLY C 23 .10 16, .85 -7 .68 49. .91

127 GLY 0 22 .29 17 .43 -6 .95 49. .85

128 VAL N 23 .31 15 .54 -7 .62 49. .98

128 VAL CA 22 .60 14 .70 -6 .65 49. .66

128 VAL CB 22 .27 13 .30 -7 .24 49. .55

128 VAL CGI 21 .62 12 .42 -6 .18 49. .08

128 VAL CG2 21 .34 13 .45 -8 .44 49, .03

128 VAL C 23 .51 14 .53 -5 .43 49. .62

128 VAL 0 24 .65 14 .06 -5 .55 49. .84

129 PHE N 23 .00 14 .91 -4 .26 49. .28

129 PHE CA 23 .78 14 .83 -3 .03 49. .20

129 PHE CB 23 .77 16 .19 -2 .33 48. .41

129 PHE CG 24 .45 17 .27 -3 .12 47. .55

129 PHE CDI 25 .83 17 .28 -3 .25 46. .99

129 PHE CD2 23 .70 18 .26 -3 .76 47. .45

129 PHE CEl 26 .47 18 .26 -4 .00 47 .21

129 PHE CE2 24 .33 19 .25 -4 .52 46 .71

129 PHE CZ 25 .72 19 .25 -4 .64 46 .92

129 PHE C 23 .34 13 .73 -2 .07 49 .13

129 PHE 0 22 .16 13 .40 -1 .99 49 .01

130 PRO N 24 .29 13 .16 -1 .32 48 .91

130 PRO CD 25 .70 13 .60 -1 .30 49 .18 M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

00 00 oo 00 OO oo oo 00 OO 00 J 00 00 00 00 00 00 Ul Ul Ul Ul Ul Ul Ul UJ Ul Ul Ul Ul Ul Ul OJ Ul UJ UJ Ul Ul Ul Ul Ul on on on on on on lb lb lb lb lb lb lb lb lb OO Ul Ul Ul Ul Ul Ul Ul Ul CO CO CO CO M M M M M M M o O o o o

Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P TJ TJ TJ TJ TJ K! K; Kj Kj p p Ώp Ωc-i Ωp Ώp Ώp ΩP ΩP ΩP ΩP ΩP ΩP ΩP ΏP ΏP ΩP ΩP ΩP ΩP ΏP ΩP PKi PKi Ki Ki Ki Ki Ki Ki i 33 33 33 33 33 ω n cn cn CΛ CΛ G G G G G G G G G 2 2 2 2 2 2 2 2 3 κi κi κi κi CΛ CΛ CO cn cn cn cn (Λ cn O O O O O

O Ω CΛ Ω Ω 3 0 Ω 0 0 Ω Ω Ω Ω Ω 3 Ω 3 Ω Ω Ω 3 O Ω 2 Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω

Ω 03 ES LS D Ω 03 ts ros Ω Ω Ω J 63 CO > > ts LS to M eo M α Ω 03 Ω 03 >

M M M M M M M M M M co to eo eo to co M t co t co co

CO CO Ol lb lb lb on on Ol cn Ol cn O -O 1 vo o o o o o co co o to co co cn on lb cn oo co CO co 01 lb vo CO lb O ^3 co oo lb ui lb OJ vo on oo o

01 on cn 00 vo Ol Ol oo ^1 O CO on co 01 vo vo vo

-Pi

H-- to M M M cn Ol Ol Ol 01 on on on co cn ^1 vo co on co l oo oo vo vo o o to eo vo o lb Ol o vo eo lb CO eo ] vo lb on on Ol vo to lb ib on on vo eo lb oo ib o o on on D lb vo eo 1 oo vo lb ] eo eo cn on -O 00 M eo to vo ^i lb on vo

o co eo co ib cπ σi αi on on on ib oo ui co o o lb o Ul 00 oo oo Ol 01 o 00 J to σi -J lb ^1^" 00 00 cn CO o VD ui oo lb o oo ui ui lb OO on CO lb o 00 VD Ol CO co cn J M lb oi Ol CO o on vo CO to eo cn vo lb ui ^j 00 Ul lb lb lb Ul Ul on on Ul on on on on Ui Ul Ul lb Ul on on ib lb on lb lb lb ib lb lb lb ib lb ib ib lb lb lb lb lb lb vo VD oo lb 00 o O o M M O O O O vo o o o vo VD o VD VD VD CO co vo vo CO CO CO VO vo CO 00 00 VD vo

M O M Ul vo M 01 ui Ul o co on lb to oo o 00 OJ CO CO CO on cn co lb o vo on 01 o lb O on αo o ui 00 ^3 00 to o ] ib on vo CO 00 CO o o on OJ cn oo co vo -o cn oo o 00 01 oo ^1 M on

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M on on on on on on on on oo oo 00 oo oo oo oo oo oo ^1 ^1 ^1 ^1 ! l ^1 en cn cn on

Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 13 13 TJ TJ TJ TJ TJ H <-i <-i ►9 H H H H H H H H Ω Ω Ω Ω Ω Ω Ω Ω Ω

P P P P P P P P P P P P P P 33 33 33 33 33 33 33 Ki Ki Ki Ki Ki Ki Ki K; Ki Ki P P P P P P P P P

G G G G G G G G G G G G G G υ O O O O O O 33 33 33 33 33 33 33 33 33 33 33 33 G G G G G G G G G

Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω 3

O 63 03 > IS LS O 63 03 63 03 03 to M > CJ EC ts ES CJ LS D 63 03 ES IS 63 CO CO M M M σ

1 M M M M M o o oo O O M eo oo ! _^J ^J cn o o vo o o o M o M M on CO eo vo lb eo o cn on M oo eo ^1 vo co o oo M on vo cn cn 1 on on vo ui O M on M 00 on oo vo vo on to cn M lb ^3 vo

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1 1 1 1 1 I M M M M M M M M M M M M M M M M oo Ul lb oo lb lb on lb lb ui 01 lb CO CO VD o VO o M o M o M VD o o vo vo vo

M vo oo Ol Ul o M to lb cn on lb oo eo 01 on lb on cn Ul ui cn co oo oo on on eo o σi on o M on vo M on ^J oo lb to on ui on ui lb on lb on on on on on on lb lb ui on Ul On on Ul on on on on on on on on on lb ui O o vo O vo O o O O o O o ^J 01 M oo eo vo o o M vo o o oo oo eo M vo M on on to vo IO CO -0 ui CO _^1 on lb M lb o vo o on o M o vo vo lb M o oo

Ol o ^J ui M ui cn Ol to M ui to vo ui oo oo lb vo lb vo on o M 00 vo

154 GLU OEl -1..84 9..24 -0,.78 51..29

154 GLU OE2 -3. .24 9. .51 -2, .47 51, .17

154 GLU C 2. .16 9. .12 -3. .03 49, .64

154 GLU 0 2. .85 10. .04 -3, .49 48, .64

155 LYS N 2. .23 8. .72 -1, .76 49, .99

155 LYS CA 3. .15 9. .36 -0, .83 49, .68

155 LYS CB 3, .11 8. .65 0, .53 49, .33

155 LYS CG 1. .90 9. .00 1. .39 48, .71

155 LYS CD 1, .94 10, .47 1. .80 49, .02

155 LYS CE 0, .76 10. .84 2. .72 49, .13

155 LYS NZ -0. .54 10. .93 2. .00 49. .26

155 LYS C 4. .58 9. .37 -1. .34 49. .44

155 LYS 0 5. .43 10. .07 -0. .80 49. .17

156 LYS N 4. .85 8. .61 -2. .40 49. .84

156 LYS CA 6. .20 8. .56 -2. .97 49. .19

156 LYS CB 6. .49 7. .14 -3. .49 48. .66

156 LYS CG 7. .92 6. .90 -4. .02 49. .13

156 LYS CD 8. .19 7. .61 -5, .36 48, .69

156 LYS CE 7. .14 7. .26 -6. .44 48. .70

156 LYS NZ 7. .35 7. .95 -7, .76 48. .35

156 LYS C 6. .30 9. .58 -4. .10 49. .42

156 LYS 0 7, .37 10. .14 -4. .35 49. .01

157 ALA N 5. .19 9. .80 -4, .79 49. .25

157 ALA CA 5, .16 10. .76 -5. .89 49. .08

157 ALA CB 3. .81 10. .71 -6. .59 48. .42

157 ALA C 5. .37 12. .14 -5. .27 48. .77

157 ALA 0 6. .11 12, .97 -5. .79 48, .26

158 LEU N 4. .69 12, .35 -4, .14 48, .56

158 LEU CA 4. .76 13. .59 -3, .38 48, .35

158 LEU CB 3. .84 13, .49 -2, .16 47 .96

158 LEU CG 3. .42 14, .81 -1. .52 46 .60

158 LEU CDI 2. .70 15, .68 -2. .55 47 .00

158 LEU CD2 2. .50 14, .53 -0, .32 46 .77

158 LEU C 6. .19 13, .86 -2. .93 48 .07

158 LEU 0 6 .68 14, .98 -3. .05 47 .55

159 ASP N 6 .85 12, .82 -2 .42 47 .94

159 ASP CA 8 .23 12. .92 -1 .97 47 .54

159 ASP CB 8 .71 11 .56 -1 .41 47 .95

159 ASP CG 10 .06 11 .64 -0 .71 47 .64

159 ASP ODl 11 .04 12 .11 -1. .34 48 .08

159 ASP OD2 10 .15 11 .23 0. .47 47 .99

159 ASP C 9, .09 13, .33 -3, .16 47, .40 159 ASP 0 9,.88 14..29 -3,.08 46..53

160 GLN N 8. .93 12. .62 -4. .27 46. .91

160 GLN CA 9 .69 12. .91 -5. .49 46. .99

160 GLN CB 9 .39 11. .87 -6. .58 46. .96

160 GLN CG 10 .11 12. .15 -7. .90 48, .05

160 GLN CD 11 .63 12. .06 -7. .78 48, .59

160 GLN OEl 12 .37 12. .58 -8. .62 49, .40

160 GLN NE2 12 .10 11. .41 -6. .72 49, .03

160 GLN C 9 .41 14. .30 -6 .06 46, .79

160 GLN 0 10 .26 14. .87 -6. .76 45, .54

161 ALA N 8, .23 14. .84 -5. .77 47. .13

161 ALA CA 7, .85 16. .16 -6, .27 47. .37

161 ALA CB 6. .38 16. .44 -5. .94 46. .66

161 ALA C 8. .74 17. .26 -5, .69 47. .37

161 ALA 0 9. .11 18. .20 -6. .41 46. .59

162 SER N 9. .07 17. .15 -4. .41 47. .76

162 SER CA 9, .92 18. .14 -3. .75 47. .00

162 SER CB 9. .40 18. .42 -2. .33 47. .43

162 SER OG 8. .02 18. .71 -2. .33 48. .58

162 SER C 11. .37 17. .66 -3. .66 46, .71

162 SER 0 12. .10 18. .03 -2 .73 46, .17

163 GLU N 11, .79 16. .86 -4 .63 45, .85

163 GLU CA 13, .15 16. .31 -4 .65 45, .88

163 GLU CB 13, .30 15. .36 -5 .84 45, .60

163 GLU CG 14, .43 14. .34 -5 .71 47, .30

163 GLU CD 14, .29 13. .49 -4 .46 47. .63

163 GLU OEl 13, .16 13. .04 -4 .16 48, .15

163 GLU OE2 15, .32 13. .26 -3 .78 48, .09

163 GLU C 14, .26 17, .36 -4 .70 45, .03

163 GLU 0 15, .30 17, .20 -4 .06 44, .63

164 GLU N 14, .05 18, .43 -5 .47 45, .09

164 GLU CA 15, .05 19, .49 -5 .58 45, .45

164 GLU CB 14 .66 20, .50 -6 .67 45, .70

164 GLU CG 14 .86 19, .98 -8 .10 47. .37

164 GLU CD 14 .23 20, .88 -9 .17 47. .33

164 GLU OEl 14 .55 22, .10 -9 .19 47 .78

164 GLU OE2 13 .43 20, .38 -9 .99 47 .97

164 GLU C 15 .21 20, .20 -4 .23 45 .25

164 GLU O 16 .28 20, .69 -3 .89 44 .83

165 ILE N 14 .12 20. .25 -3 .46 45 .23

165 ILE CA 14 .18 20. .88 -2 .15 45 .13

165 ILE CB 12, .78 21. .07 -1 .55 45. .12 M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M cn Ol Ol Ol Ol Ol Ol on on en on on Ol Ol on cn Ol Ol 01 Ol Ol Ol Ol Ol Ol Ol Ol Ol 01 cn cn cn cn Ol 01 Ol Ol 01 Ol O Ol 01 vo o VD VD vo vo vo oo oo oo oo 00 00 CO CO ^1 ^J ^3 ~3 ^1 ^3 ^J ^1 Ol Ol Ol Ol Ol Ol cn cn cn cn Ol Ol Ol Ol on on on ui Ul

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I 1 1 I 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 lb to lb 00 CO eo o O o 00 00 oo M M M M M Ul lb lb oo eo M o o CO CO M o o M o o o o o M o M M CO o co cn lb OO oo CO oo lb o on ^J o Ol lb vo ^J vo 00 00 on vo lb vo eo on to lb CO on vo Ol lb Ol to lb CO M Ul M vo lb M vo co Ol on 00 o o Ol 00 M o CO CO lb o o 00 00 00 CO VD cn lb M ui CO M o cn lb vo 00 eo cn 0J to vo ^1 lb to lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb o o o o M M M M eo lb lb lb 00 CO eo to CO 00 00 CO Ul Ul Ul 00 oo 00 Ul oo 0J 00 00 oo oo oo oo lb lb lb ui lb lb lb

Ol CO M oo oo UJ on M 01 lb on M 00 CO o lb eo VD Ul eo lb eo CO o M Ul 00 01 oo lb oo OJ vo M oo CO O OJ Ol vo M VD eo 00 Ol cn on ^1 O 00 CO ^J lb on eo M to vo lb CO ^1 lb M lb lb ^1 vo vo CO o eo to o CO ui VD eo en o

169 PHE CE2 14..62 21..75 3..10 40,.51

169 PHE CZ 14. .88 22. .56 4. .21 40, .69

169 PHE C 20. .27 19. .50 2. .31 40. .80

169 PHE 0 21. .17 19. .78 3. .11 40. .88

170 ARG N 20. .34 18. .45 1. .49 40. .86

170 ARG CA 21. .48 17. .52 1. .52 40. .21

170 ARG CB 21. .22 16. .33 0. .58 40. .78

170 ARG CG 20. .16 15. .36 1. .11 41. .42

170 ARG CD 19. .54 14. .53 -0. .02 41. .85

170 ARG NE 18. .26 13. .93 0. .40 41. .33

170 ARG CZ 17. .33 13. .48 -0 .45 42. .16

170 ARG NHl 17. .55 13. .54 -1 .76 41. .74

170 ARG NH2 16. .20 12. .96 0 .01 41, .75

170 ARG C 22. .82 18. .15 1 .17 39, .59

170 ARG 0 23. .84 17. .85 1 .80 39, .98

171 GLU N 22. .82 19. .02 0 .16 39, .49

171 GLU CA 24. .05 19, .68 -0 .23 39, .33

171 GLU CB 23. .82 20, .57 -1 .47 39, .58

171 GLU CG 24. .80 21, .72 -1 .61 41, .26

171 GLU CD 24. .79 22, .36 -2 .98 41, .49

171 GLU OEl 23. .70 22, .53 -3 .56 41, .67

171 GLU 0E2 25 .89 22, .71 -3 .48 41, .78

171 GLU C 24. .55 20. .53 0 .94 39, .31

171 GLU 0 25. .75 20, .56 1 .23 38, .97

172 ALA N 23. .62 21, .19 1 .62 39, .52

172 ALA CA 23. .97 22, .02 2 .77 40, .03

172 ALA CB 22. .76 22. .84 3 .22 39, .80

172 ALA C 24. .48 21. .16 3 .93 40. .98

172 ALA 0 25. .37 21. .59 4 .67 40. .39

173 ALA N 23. .95 19, .95 4 .06 40. .81

173 ALA CA 24. .36 19. .03 5 .13 40. .66

173 ALA CB 23. .37 17. .87 5 .25 40, .45

173 ALA C 25. .76 18, .48 4 .89 40, .64

173 ALA 0 26. .56 18. .36 5 .82 39, .75

174 GLU N 26, .04 18, .16 3 .63 40, .14

174 GLU CA 27, .35 17, .64 3 .28 40, .30

174 GLU CB 27, .40 17, .26 1 .80 39. .76

174 GLU CG 28, .69 16, .55 1 .39 39. .98

174 GLU CD 29, .03 15, .39 2 .30 40. .53

174 GLU OEl 28, .10 14, .79 2 .88 40. .60

174 GLU 0E2 30, .23 15, .06 2. .43 41. .12

174 GLU C 28 .38 18 .71 3 .59 39 .23 M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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228 CYS CB 27..15 31..00 27..87 41,.15

228 CYS SG 27, .21 32 .46 28. .97 33, .69

229 ALA N 24. .74 28. .61 27. .16 35. .83

229 ALA CA 24, .25 27, .56 26. .29 35. .23

229 ALA CB 22. .90 27, .08 26. .79 34. .51

229 ALA C 24. .15 27. .87 24. .80 34. .86

229 ALA 0 24, .45 27. .02 23. .98 34. .73

230 ALA N 23, .73 29, .08 24. .46 35. .81

230 ALA CA 23. .56 29, .40 23. .05 35. .62

230 ALA CB 22. .20 28, .90 22. .58 35. .34

230 ALA C 23. .68 30, .88 22. .74 35. .67

230 ALA 0 23. .77 31, .71 23 , .64 35. .35

231 HIS N 23. .70 31, .18 21, .45 36, .20

231 HIS CA 23. .73 32, .54 20. .96 36. .14

231 HIS CB 22 .45 33, .24 21. .40 36. .78

231 HIS CG 21 .22 32 .61 20. .83 37, .25

231 HIS CD2 21 .06 31 .59 19. .95 37. .50

231 HIS NDl 19 .94 33 .06 21, .11 36. .72

231 HIS CEl 19. .06 32, .35 20. .44 37. .88

231 HIS NE2 19. .71 31, .45 19. .72 37. .34

231 HIS C 24. .93 33, .40 21, .30 36. .06

231 HIS 0 24. .83 34, .64 21, .32 35. .37

232 TYR N 26. .06 32, .77 21, .57 35. .50

232 TYR CA 27 .28 33, .51 21, .83 34, .24

232 TYR CB 27 .98 33, .08 23 , .12 34, .75

232 TYR CG 29 .43 33. .59 23. .14 34, .32

232 TYR CDI 29 .70 34 .94 23. .31 34, .44

232 TYR CEl 31 .00 35 .44 23. .24 34, .78

232 TYR CD2 30 .50 32 .73 22. .90 34. .01

232 TYR CE2 31 .81 33 .21 22. .82 34. .91

232 TYR CZ 32 .05 34 .57 22. .99 35. .16

232 TYR OH 33 .35 35 .06 22 .94 35 .05

232 TYR C 28 .27 33 .27 20 .71 35 .00

232 TYR 0 28 .56 32. .12 20. .36 34, .01

233 THR N 28 .78 34. .36 20, .16 35, .50

233 THR CA 29 .82 34. .31 19, .14 34, .28

233 THR CB 29 .26 34 .37 17, .70 36, .40

233 THR OGl 30 .29 33 .97 16, .79 36, .76

233 THR CG2 28 .80 35 .78 17, .33 36, .67

233 THR C 30 .59 35 .59 19, .48 35, .98

233 THR 0 29 .99 36 .59 19, .87 34, .43

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277 LEU CB 29..06 14,.88 26..24 39..87

277 LEU CG 29. .61 16, .21 25. .70 39. .70

277 LEU CDI 29. .57 17, .27 26. .78 40. .26

277 LEU CD2 31. .04 16, .01 25. .20 40. .50

277 LEU C 26. .82 13, .76 26. .36 39. .37

277 LEU 0 25. .95 13, .94 25. .50 38. .15

278 LYS N 27. .09 12, .57 26. .90 39. .61

278 LYS CA 26. .36 11, .37 26. .50 39. .50

278 LYS CB 26. .89 10. .13 27. .23 40. .31

278 LYS CG 26. .31 8. .82 26. .68 40. .97

278 LYS CD 26. .02 7. .78 27. .77 41. .99

278 LYS CE 25. .10 6. .66 27. .23 42. .77

278 LYS NZ 24, .56 5. .77 28. .31 42. .65

278 LYS C 24. .90 11. .56 26. .86 39. .49

278 LYS 0 24, .01 11. .21 26. .08 39. .18

279 ALA N 24, .64 12. .12 28. .04 40. .34

279 ALA CA 23, .26 12 .34 28. .46 40. .53

279 ALA CB 23, .24 13 .04 29, .81 39, .75

279 ALA C 22, .50 13 .16 27, .44 40. .39

279 ALA 0 21, .40 12 .79 27, .03 39, .94

280 VAL N 23 , .08 14 .28 27, .02 40. .73

280 VAL CA 22, .45 15 .17 26, .06 40. .48

280 VAL CB 23, .20 16 .53 26, .02 40, .38

280 VAL CGI 22, .44 17 .54 25, .16 39, .46

280 VAL CG2 23, .35 17 .07 27, .43 39. .43

280 VAL C 22, .40 14 .56 24, .66 40. .55

280 VAL 0 21, .39 14 .69 23 , .96 40, .00

281 LYS N 23, .47 13 .88 24, .24 40, .49

281 LYS CA 23, .48 13 .25 22, .93 40, .01

281 LYS CB 24, .82 12 .55 22, .69 40, .09

281 LYS CG 24, .93 11 .89 21, .33 40, .18

281 LYS CD 26, .32 11 .27 21, .09 41, .35

281 LYS CE 27, .43 12 .31 21, .14 42, .66

281 LYS NZ 28, .80 11 .79 20, .75 44, .34

281 LYS C 22, .35 12 .22 22. .86 40. .40

281 LYS 0 21, .61 12 .16 21, .88 39, .62

282 ASP N 22, .23 11 .43 23, .92 40, .56

282 ASP CA 21 .20 10 .39 24, .01 40, .97

282 ASP CB 21 .48 9 .53 25, .25 41, .40

282 ASP CG 20 .49 8 .39 25, .43 42, .07

282 ASP ODl 19 .84 7 .97 24, .45 42, .09

282 ASP OD2 20 .38 7 .90 26, .58 42, .06 CO eo to eo CO to to CO CO CO CO CO t eo eo CO eo to to CO eo to CO eo CO CO to CO to CO CO t CO to to eo CO CO t to to eo

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348 LYS C 6. .20 19. .22 29. .84 45. .88

348 LYS 0 6. .74 20. .31 30, .05 45. .55

349 GLY N 4. .88 19. .09 29, .66 46. .92

349 GLY CA 4. .00 20. .25 29, .73 47. .57

349 GLY C 4. .02 21. .18 28, .53 47. .94

349 GLY 0 3. .84 22. .39 28, .68 47, .04

350 GLY N 4. .24 20, .64 27, .33 48. .22

350 GLY CA 4. .26 21, .48 26, .14 47. .75

350 GLY C 2. .94 21. .45 25. .40 47. .29

350 GLY 0 1. .98 20. .80 25. .86 45. .98

351 GLU N 2. .87 22. .14 24. .26 46. .88

351 GLU CA 1. .66 22. .19 23. .43 46. .90

351 GLU CB 1. .82 23. .22 22. .30 46. .90

351 GLU CG 1. .67 24. .69 22, .73 47. .89

351 GLU CD 2. .23 25. .66 21, .69 48. .67

351 GLU OEl 1. .79 25. .61 20, .52 48. .64

351 GLU OE2 3. .11 26. .49 22, .05 48. .90

351 GLU C 1. .42 20. .81 22, .81 47. .25

351 GLU 0 2. .37 20. .06 22, .54 46. .20

352 ALA N 0, .15 20, .48 22. .57 47. .42

352 ALA CA -0, .18 19, .19 21 .98 47, .34

352 ALA CB -1. .55 18, .73 22 .46 47, .23

352 ALA C -0, .17 19, .29 20, .46 47, .46

352 ALA 0 -0, .54 18, .35 19 .76 46. .78

353 THR N 0, .25 20, .44 19 .95 47. .95

353 THR CA 0. .30 20, .62 18 .50 47, .34

353 THR CB 0. .89 21, .98 18 .13 47, .41

353 THR OGl 0. .17 23, .02 18 .81 46, .45

353 THR CG2 0. .79 22, .21 16 .63 46, .10

353 THR C 1. .13 19, .51 17 .88 47. .00

353 THR 0 2. .15 19, .08 18 .45 46. .34

354 ARG N 0 .70 19, .03 16 .72 47. .08

354 ARG CA 1 .39 17, .94 16 .04 46 .70

354 ARG CB 0 .36 16, .99 15 .43 46 .31

354 ARG CG -0 .46 16 .23 16 .45 45 .96

354 ARG CD -1 .64 15 .53 15 .81 46 .40

354 ARG NE -2 .40 14 .77 16 .80 47 .23

354 ARG CZ -2 .87 15 .27 17 .94 47 .83

354 ARG NHl -2 .66 16 .54 18 .27 48 .31

354 ARG NH2 -3 .58 14, .49 18 .76 48. .26 Ul Ul oo 00 OJ J oo 00 00 OJ OJ oo OJ OJ 00 oo oo OJ OJ 00 OJ OJ 00 oo oo oo 00 oo oo 00 00 OJ 00 00 00 oo 00 00 00 oo OJ OJ on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on o vo D VD vo vo vo vo vo vo co CO 00 00 ^1 ^3 -J ^1 l ~3 ^3 ] ^1 cn en Ol 01 cn Ol Ol oi 01 Ul on on on on Ul on on lb lb

< Ω Ώ Ω Ω Ω Ώ Ώ Ω Ω Ώ Ω Ω Ω Ω Ω Ώ Ώ Ω Ω Ώ Ω Ω Ω Ω Ω Ω Ώ Ω Ω Ω Ω ES ES ES ES ES ES ES ES > P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P ES LS ES LS LS LS ES ES 33 33 P G G G G G G G G G κi κ; κ; κ; G G G G G G G G G G G G G G G G G G ι9 ι9 β ι9 ι9 ι9 ι9 ι9 Ω Ω

3 O Ω Ω Ω Ω Ω Cl (I in Ω Ω 3 O Ω CJ Ω 03 > ES Cl Ω 03

o vo o lb on on Ul ~J ^1 ^3 CO ^J Ol on 00 lb to M eo 00 CO 00 00 on OJ o O o M to to 00 CO oo vo ^1 Ol on lb 00 to eo

M Ol oo cn OJ CO ^1 M 00 M o OJ Ol co vo on lb on lb lb co oo M o CO lb O lb O M VD cn -J on o CO eo lb to eo eo OJ

CO vo M 01 M O 00 cn ui -J Ul lb o 00 ! o co CO M cn ] -J -J Ul eo oo VD VD vo 00 lb co o M VO oo VD on 1 on on

-Pi

On

CO M M to CO CO CO eo CO M M M M M M M M M M M M M M M M eo CO CO M M M M M M M M M M M M M M

O CO VO to O M o o O VD vo CO -J on oo -O 00 on lb lb on cn Ol ] -J M O o VD VO _^) co cn ι ^3 on 1 Ol ! 1 vo 00

~ on l l lb CO ! CO o O ! VD vo vo eo M M M OJ VD 00 o Ol oo eo ~J vo co lb o 00 M 00 00 lb M o CO ^1 lb lb oo

M CO o Ol ^1 OJ o lb Ol ui co VD o 00 to ! lb oo cn IO Ul ] lb VD cn M cn M 00 lb o o to co OJ CO ^1 oo CO 00 vo 00

M M M M M M M M M M M M M M M M M

CO ^1 1 o M o vo VD σi ui on lb on on on 0J 00 OJ lb ui cn ^J CO CO O CO O O VD VD M eo eo on on Ul 00 00 lb lb lb

CO CO vo lb OJ 00 o M o vo o Ol CO Ol vo CO M on on CO ] VO VD oo VO co O lb on VO CO eo co -J o o ~J on on lb vo on vo 00 Ol CO CO Ul O lb lb o eo en lb M CO lb o lb o Ul cn o CO vo lb vo ^3 on M vo eo co vo o on eo UJ 01 to 0J Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

Ul *. lb lb eo 00 lb lb lb Ul OO lb lb lb on Ul Ol on cn CO CO CO CO cn cn Ol Ol Ol CO vo 00 -J -J on en on cn 1 ^1 ] en 01 Ol on on

^J o 00 lb M CO oo co M lb lb M cn to 00 M o -O CO to ! 00 Ol lb ] on o 00 00 to CO CO 03 cn VD M 00 vo J 00 00 1

01 oo Ul 1 to CO M lb 01 Ol OJ Ol CO lb on ^3 00 CO lb o M on VD Ul to cn 1 Ol M O M on ^1 01 VO lb cn M M 00 M o

360 VAL CA 11..54 20..53 8..54 42..60

360 VAL CB 12. .42 21. .41 7. .62 42. .72

360 VAL CGI 13. .88 21. .32 8, .06 42. .20

360 VAL CG2 12. .29 20. .94 6. .19 42. .48

360 VAL C 11. .72 20. .97 9, .98 42. .16

360 VAL 0 11. .28 22. .05 10. .35 41, .07

361 TYR N 12. .38 20. .14 10. .79 41. .79

361 TYR CA 12. .58 20, .48 12. .19 40. .84

361 TYR CB 11. .77 19. .53 13. .08 41, .51

361 TYR CG 10. .33 19, .92 13. .28 41, .14

361 TYR CDI 9. .35 19. .56 12. .35 41. .30

361 TYR CEl 8. .01 19. .92 12. .53 42. .60

361 TYR CD2 9. .94 20. .65 14. .41 41. .51

361 TYR CE2 8. .60 21. .01 14, .60 42. .24

361 TYR CZ 7. .65 20. .64 13 , .66 43. .18

361 TYR OH 6. .34 21. .00 13, .85 43. .63

361 TYR C 14. .02 20. .44 12, .67 40. .35

361 TYR 0 14. .81 19, .60 12, .26 40. .17

362 ALA N 14. .34 21, .36 13 , .58 40, .16

362 ALA CA 15. .65 21, .38 14. .17 39. .65

362 ALA CB 16, .13 22, .81 14 .34 39. .43

362 ALA C 15, .45 20, .73 15 .53 38, .62

362 ALA 0 14, .79 21 .29 16 .41 39, .10

363 ILE N 15, .96 19. .52 15 .70 39, .11

363 ILE CA 15, .82 18, .83 16 .97 38, .54

363 ILE CB 15, .67 17 .30 16 .77 38, .69

363 ILE CG2 15, .38 16 .63 18 .10 38, .34

363 ILE CGI 14 .53 17 .00 15 .79 38, .26

363 ILE CDI 13 .19 17 .56 16 .21 38 .14

363 ILE C 17 .07 19 .11 17 .81 38 .52

363 ILE 0 18 .16 18 .62 17 .50 38 .16

364 GLU N 16 .92 19 .91 18 .86 38 .91

364 GLU CA 18 .05 20 .23 19 .73 38 .57

364 GLU CB 18 .67 21 .59 19 .36 38 .79

364 GLU CG 17 .75 22 .81 19 .49 3 .19

364 GLU CD 18 .44 24 .12 19 .06 38 .41

364 GLU OEl 19 .52 24 .44 19 .61 38 .62

364 GLU OE2 17 .90 24 .83 18 .18 39 .31

364 GLU C 17 .68 20 .21 21 .19 38 .84

364 GLU 0 16 .63 20 .71 21 .58 38 .77

365 THR N 18 .53 19 .61 22 .01 38 .83

365 THR CA 18 .28 19 .56 23 .44 38 .75 o 00 UJ Ul oo oo 00 00 oo Ul Ul Ul Ul Ul Ul Ul oo Ul Ul Ul J oo o oo 00 00 00 00 OO 00 00 00 00 00 oo 00 00 00 00 00 OJ OJ

^3 ^1 ! o 1 ^J ^1 o ] 01 01 Ol 01 Ol Ol 01 Ol Ol 01 cn n cn cn cn Ol Ol Ol 01 01 on 01 cn Ol Ol Ol 01 01 Ol 01 01 Ol Ol

M M M M M o o o o vo vo vo vo vo vo vo CO CO CO CO co oo ι ~j ^1 ^1 Ol 01 cn on cn Ol Ol Ol Ol Ol Ol on on on on on

P P P P P Ω Ω Ω Ω ι9 ι9 >9 ι ι CO cn CO cn CO CΛ Ω Ω Ω Ω TJ J TJ TJ TJ TJ TJ TJ TJ TJ TJ ι •9 ι9 H. ι9 Ki Ki Ki Ki Ki P P P P EC EC EC EC EC EC EC ts LS ES ES ts ts P P P P EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC EC cn cn CO O CO Ki Ki 33 33 33 33 33 33 33 33 33 33 33 33 33 K; i Ki Ki LS LS CS IS ES LS ts ts ts ts ES 33 33 33 33 33

Ω Ω Ω Ω 3 O Ω Ω 3 O Ω Ω O Ω Ω 3 O Ω O Ω Ω 3 O Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω 3 O Ω Ω O Ω tj Ω 03 > Ω Ω 03 Ω 03 Ω Ω 03 to M > > ts ES LS Ω 03 to M α Ω Ω CJ to M to M

M M M M eo eo to CO CO CO eo eo eo co eo to to to CO eo to to to to t to M CO eo to M CO M CO to eo M to M M M M CO VO oo 00 o o o CO CO UJ oo cn as on lb Ul M to co eo ro M oo to M M VD o o M VD M vo o o o vo o vo vo CO o O on oo oo lb vo lb VD on o 00 on o oo VD on o ^1 vo oo 00 on lb t 00 Ol lb on 00 00 CO oo eo oi lb o CO o Ul co ^1 o on CO on lb UJ Ol CO o o 00 ^1 O vo Ul vo M vo oo O on on lb o o M on oo 00 CO lb σi o vo o CO o

J

OJ to to eo to CO CO eo to CO CO CO M to CO eo to to ro eo CO to to to to M to CO eo CO CO to to CO CO to CO IO to to M M M on on 00 lb lb Ul CO eo vo to o M M O M oo to M o M o VD o o o lb lb lb lb 00 00 CO M o o o ^1 oo

Ol CO CO ^1 Ol lb on on UJ lb 00 o vo to on lb M vo Ul cn M on on M O on VO CO to M on lb ^1 CO 01 M M lb 00 M M lb CO lb M vo o lb co o vo on CO M CO on oo on CO vo vo 01 oi t CO to lb o lb on to lb ^1 on CO on 00 lb lb Ol M

OJ Ul oo oo oo Ul 00 00 UJ UJ J OJ 00 00 OJ oo oo oo 0J 00 0J OJ to 0J to t eo to to CO CO to CO CO to to ro to to ro CO to vo 00 1 Ol ^1 ^1 cn cn oo 01 on cn cn on lb lb 00 0J to to M vo o vo CO 00 o CO OJ CO lb lb lb Ol Ol on 00 lb to oo OJ

VD lb to VD CO VD M o CO lb o oo vo on lb 00 lb Ul lb on ro 00 o CO on on lb 00 Ol o VD CO M 00 cn M o vo VD O on lb lb ^j o 00 o Ol M o 00 on o on on O 00 OJ to OJ vo Ol CO lb M lb lb lb lb lb lb on cn Ol lb vo on CO lb lb lb lb lb lb lb lb lb Ui lb oo oo 00 00 00 0J oo 00 Ul OJ oo 00 OJ oo oo 00 0J 0J OO oo 00 00 00 00 00 oo 00 00 OJ 00 OJ

Ul CO M M M o M M M VD o 00 CO vo vo VD VD VD vo VD vo vo vo vo vo vo 00 VO oo co oo 00 00 00 CO co co oo ^3 ^1 00

O on 00 00 CO CO t 01 o 00 cn on VD 0J cn M Ul on to CO co 0J OJ CO M o M vo o CO on 1 00 on cn ib CO lb VO oo M on on vo M CO UJ 1 oo lb CO on to to vo lb on M CO vo o on 00 01 o lb on O eo to 00 ^1 vo vo oo vo ^1 OJ oo

00 oo oo J OJ 00 00 OJ oo 00 oo Ul Ul Ul Ul 00 oo OJ J OJ OJ oo 00 oo 00 oo oo 00 00 Ul UJ Ul Ul Ul Ul Ul UJ Ul Ul ui UJ Ul

^1 ] ^1 ^1 o ^1 ^1 ^1 ^j J o ~J ] -j ] ~J -O ] -o ~0 ] ^J -j ] 1 -O ^3 o 1 ] -J ] J ^1 ^1 ~j ^1 o -o 1 -J ^1

-j o Ol Ol Ol on 01 oi Ol Ol ui ui Ul Ul on on on on ui on lb lb lb lb lb lb lb oo Ul Ul UJ Ul Ul Ul eo eo eo CO M M M M

> > > > > > > > > > EC EC EC EC EC EC EC EC EC EC < < < < < <: < < < < < Ω Ω Ω Ω P P P P in tn cn CΛ in CΛ CΛ CΛ cn in Pi M H H H H H H Pi H > > > > > > > > > > > P P P P κJ κ; κi κ;

TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ cn cn cn CΛ CΛ CO CΛ CΛ CΛ CΛ P P P P P P P P P P P P P P Kj Ki Ki Ki CQ CQ CΛ CΛ

eo CO to to M M M M to M eo M to to C to CO M M M M M M to M M M M M M M M M M M M M M M M M M

Ul CO M M ^1 ^1 CO vo o vo o VD to M O M o 00 co VO cn CO o VD CO 00 on lb on on ^3 on ^1 00 σi CO on Ol

Ol lb M to oo on M CO o to ^1 Ol o lb M M o on o VD M V0 o M vo vo 00 oo vo co Ul o O CO on oo o Ol 01 en on on ^3 Ul on lb on on to ^3 Ul oo to VD O o lb CO on lb on 1 to ^1 M lb to to 00 on oo lb o o to M vo to M on CO

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U\ J> oo OJ 00 OJ oo oo oo 00 00 0J oo 00 OJ Ul OJ 00 00 Ul oo oo OJ OJ 00 ro 0J 00 to to to ro to to t to to to CO to to to CO CO -J ^3 CO on CO CO Ol lb ui lb Ul 00 Ul lb lb lb to CO M o 00 o ' o vo vo 00 vo CO ^1 cn on on lb lb lb on 00

00 lb 00 Ul vo vo o 00 o to Ul o to M M o lb eo 00 o 00 o vo M lb lb o 00 cn 00 on CO J to ui 00 vo oo M vo CO to lb cn O to on lb 00 00 M vo lb on M ^3 vo M VO on lb CO oo lb M ^1 cn 00 lb 01 on vo oo 00 OJ on o vo lb vo ui o o

CO CO oo to to to CO to CO eo CO to UJ Ul 00 oo 0J Ul 00 J 00 oo CO to to oo 00 00 oo oo oo 00 00 0J 00 00 00 oo oo oo lb oo vo 00 o VO en CO CO VD VD VD UJ lb 0J 00 CO CO O o o o 00 vo vo o M 00 to lb to oo to 00 to 0J lb on Ol o vo on 00 cn lb o eo eo co cn lb cn VD CO O on M VO to 00 CO en 00 M eo en M o 00 VD ^1 ^3 UJ on M oo VD oo M Ol cn

OJ CO o OJ vo CO o to oo oi OJ Ul on Ol O CO on eo o lb o M VD CO en on ro o lb CO lb lb on on VO ^1 on 00 oo 01 o lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

OJ lb to to on Ul lb lb OJ to CO M lb on lb on lb oo CO CO M M O o M M CO to t to to to to OJ to OJ OJ 00 M CO lb oo o lb ^1 lb lb CO to o vo M VO 00 to oo o lb oo lb IO en VD on VD 01 00 oo on on cn lb lb 00 M oo lb VO on lb on M cn vo o CO vo oo ^■O o oo lb VD 00 on lb M Ul lb Ol on M o lb 01 oo M 00 ^3 CO cn vo on co lb M on ^1 oo ui 00

oo OO 00 oo 00 OJ OJ oo 00 Ul oo Ul Ul oo oo 00 00 oo oo 00 oo 00 oo oo J OJ oo 00 Ul UJ oo OJ oo oo oo Ul Ul Ul Ul UJ Ul UJ

CO CO CO 00 00 00 oo oo oo 00 00 00 00 CO oo oo co oo oo -j ^3 -o 1 ^ o ^1 ] 1 -J 1 ^J -J ^1 ^1 ] o -J ] ^J ] J ^j

CO to CO CO eo CO CO M M M M M M o o o o o o vo VD vo vo VD vo VD VD vo oo 00 03 00 CO 00 oo 00 ~J -J ^1 ^1 ^1 -O

EC EC EC EC EC EC EC cn cn Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ES ES ES ES ES ES ES ES > > > > >

H Pi H H H H H ts rs t t rs ES Ki P P P P P P P P P t ES ES IS ts LS IS ES cn m cn cn cn c >n CΛ CΛ cn CΛ cn cn CΛ 33 33 33 33 33 33 cn cn cn cn cn G G G G G G G G G ι ι9 β H β ι9 TJ TJ

Ω 2 Ω Ω Ω Ω 2 o Ω O Ω Ω 2 O Ω cn Ω Ω 2 O Ω O O Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω 2 o Ω O O Ω Ω IS D D Ω 03 Ω 03 > Ω 03 > ES ES J Ω 03 ES CJ Ω 00 M > O tj Ω J

M eo > to M > M

eo to eo IO co CO CO CO to to CO CO to to CO to to lo t to CO 00 OJ CO to co CO to eo CO CO to CO to CO to o co o CO CO to on ui oo 00 to oo lb on on 01 Ul Ol on to 0J lb on cn oi o o VD CO 00 1 1 on on oo VD CO ^1 Ol on lb lb 01 on on lb

M ^1 o VD on lb CO on O Ul lb ^3 on on 01 VO 1 on lb co o VD 01 on ro lb OJ on oo lb M cn vo M M CO M oo cn CO O lb 00 00 oo on VD VD on o on o t on Ol o on VD CO lb CO lb o o 00 M o vo 00 vo cn M cn oo -J lb ui M o

J> Ui 00 oo oo OJ OJ Ul 00 00 Ul 00 oo lb lb lb lb lb lb 00 lb lb lb lb lb lb lb lb lb lb 00 00 00 00 oo OO 00 OO OJ 00 oo lb on lb on Ol oo vo vo ^1 CO vo vo M O o M O M VD o lb lb lb OJ to M o o o on on -J CO vo oo ^1 00 01 00 ~0 cn

Ul lb M lb on 00 lb OJ M Ul on on ^3 01 Ul lb on 1 lb to M on M on cn lb M o M M 00 vo M CO to M cn CO -O M on oo M M Ul vo CO M CO oo on lb VD lb lb on VD o lb VD M 00 00 on M 00 M to Ul VO on o

M M M M M M M M M M M M to eo to eo to to CO CO eo CO IO CO CO to to to CO CO to CO CO CO CO eo eo 00 oo 00 oo ^ 00 ^1 - ^3 00 on VD vo 00 o o o o M eo 00 00 lb on OJ lb lb lb on cn cn on ^J CO 00 vo ^3 oo M M M o

VO M Ul Ol M M U lb O 00 M cn 00 CO VD M CO vo o M o CO 00 on M eo oo o 00 vo ^j on CO o lb Ul Ol VO lb lb Ol 00 oi CO OJ lb M VD Ol 00 vo eo eo vo o O on OJ lb lb o on VD oi ^1 OJ CO M lb lb 00 lb ^1 M eo o Ul Ol Ul CO

Ul OJ 00 00 OJ 00 Ul OJ Ul Ul OJ OJ 00 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on lb lb lb lb lb lb lb lb lb lb lb 01 on 01 cn Ol 1 ^1 VD 00 03 vo vo O eo CO O M M M 01 on oo to eo 00 OJ o 00 CO 01 lb lb oo lb ^3 cn on

00 to cn CO CO O on ^1 lb CO CO to o M ui J vo 00 M Ol M CO CO lb on lb on CO M on oo lb o ^1 o on lb lb vo oo CO CO CO CO OJ 00 vo VD Ul ^3 1 vo to Ol o lb CO CO 01 VD OJ vo o 00 M Ol M lb 00 Ul cn vo co cn 01 M CO Ul cn lb

oo 00 Ul oo oo oo O OJ 00 00 00 OJ OJ OJ oo oo oo 00 OJ OJ oo oo oo Ul Ul oo J OJ 00 00 00 OJ 00 00 Ul UJ Ul UJ OJ oo OJ OJ

00 00 00 CO CO oo oo co CO CO 00 00 00 00 00 oo co oo oo oo 00 00 00 00 CO 00 oo oo oo oo 00 00 oo 00 00 CO CO CO 00 00 00 CO

-~3 -J cn en on Ol 01 cn Ol cn on on on on on on on Ul on lb lb lb lb lb lb lb lb oo oo 00 00 OJ J J Ul Ul Ul oo 00 t to to

TJ TJ > > > > > > > > P P P P P P P P P ES ES ES ES ES ES ES ES ι ►9 ^►9 •9 ι9 ¹-3 ι ι-3 ι9 β H. EC EC EC EC EC cn ω ω CΛ cn cn n m Ki Ki Ki K! Ki Ki Ki Ki κ| LS ts ES ES LS ES LS ES K; Ki Ki Ki Ki Ki Ki Ki Ki Ki H Pi H ts LS 3 3 2 2 2 2 2 3 cn cn cn cn cn cn cn ω cn ^►9 ι ^►9 i9 ι hi »9 ^►9 33 33 33 33 33 33 33 33 33 33 33 33 CO CO (Λ

Ω 3 O Ω 2 O Ω Ω Ω 3 O Ω 3 Ω Ω Ω Ω Ω 3 O Ω Ω cn Ω Cl Ω 3 O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω 3 > O t Ω 00 ts ES O Ω J > t CJ Ω 03 S ES O Ω 00

CO M > > EC ts E to D

CO M M > ts to

M M M M M M M M M M M M M M M M M M M M M M M M ro to eo eo CO CO CO eo CO CO eo co to co CO O M M M vo CO vo M CO Ul lb lb 00 OJ lb lb ui on Ol cn cn Ul on ^J ^1 00 00 o o lb oo eo M lb 00 CO M o CO M CO lb on CO o 00 ^1 VD co M o Ul co 00 00 vo CO ^1 o cn CO VD oi VD M ^1 M VD CO to o lb M lb M lb M lb vo o CO Ul vo

^ lb CO o Ol lb lb to o 00 co M 00 CO M M CO lb CO CO CO on CO OJ vo on 0J OJ vo ui eo CO oo vo on lb 0J 00 OJ 00 Ol

■ - on

Os 00 00 lb 00 lb lb lb lb lb lb oo lb lb lb lb lb lb lb lb lb 00 00 00 OJ 0J oo 00 OJ oo lb lb lb lb lb lb lb lb OJ UJ OJ Ul 00 ^1 oo O VO o o o M o o 00 o 00 00 co to M o o o vo on U on ^1 VD VD oo vo OJ oo oo CO to M CO M vo vo vo oo 00 vo on cn co Ol lb OJ 00 vo vo eo Ul lb oo M M vo M 00 oo M M vo ui o ui lb eo VD 00 01 vo lb 1 o to 00 o lb oo Ul to o vo VD Ol on vo VD ^1 _^ 00 o o to 00 lb lb M o on 00 o ui IO vo ro 01 en lb co ui lb _^3 eo Ol 00 o vo M M lb M

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M vo O vo O lb CO OJ to M M M M on cn 1 oo vo o M 00 eo 00 CO M oo eo oo oo lb VD CO 01 1 01 on lb on on ~J cn to lb cn on OJ CO o on oo on o M to ^3 eo ^J to 1 CO 00 1b to o CO o 03 vo OJ o o o Ol CO eo vo 00 CO cn 00 VD 00 cn oo vo on ^1 Ol Ul on lb o on M 00 o eo co on Ol o 00 00 vo CO o vo o M OJ J on M 00 vo OJ CO eo lb 00 lb o M lb lb lb lb lb lb lb lb lb lb oo lb lb lb lb lb lb OJ 00 OJ OJ OJ oo oo 00 00 0J OJ 00 00 oo 00 oo oo 0J 00 OJ OJ oo OJ Ul 00

00 oo M CO OJ lb OJ OJ M M vo o eo M M o o VD 00 oo oo co ^1 co 00 CO ^1 cn CO oo 01 on oo on Ol ^ cn ~J Ol

CO o Ul on CO CO eo o 00 CO to o ui vo Ul ui M oo oo M cn lb M on on lb lb cn on on CO VD vo M vo Ol o eo o lb o on to ^1 VO CO o Ol 1 on VD on o o M o Ul vo OJ lb lb ^1 on o co cn cn on vo oo lb o lb vo lb o Ol o o CO VD ui on

00 00 OJ 0J OJ oo OJ UJ UJ Ul Ul Ul Ul Ul Ul Ul Ul 00 00 Ul Ul Ul Ul Ul Ul l oo 00 00 OO oo oo OJ 00 oo oo oo o oo 00 OJ oo vo vo vo vo o vo vo vo VO vo VD vo vo vo vo vo vo VD 00 00 00 00 00 00 00 00 00 oo CO OO 00 00 00 CO CO 00 00 oo oo oo 00 oo

CO to eo eo M M M M M M M M M M o o o o VD VD VD vo vo vo vo CO oo oo co 00 00 00 00 ^J -J ] ^ -J ^1 ^1 ^1 ^

EC EC EC EC EC EC EC EC EC EC Ω Ω Ω Ω < > > > > TJ TJ TJ TJ TJ TJ TJ TJ J H H H H H H H H H H P P P P > cn cn > in >co cn >cn i >n CO EC EC EC EC EC EC EC EC EC

P P P P cn 03 cn CΛ cn cn Cn cn cn cn Ki Ki Ki P P P P P P P TJ TJ TJ TJ TJ TJ TJ TJ ES LS ES LS IS LS LS LS ES

Ω Ω Ω 3 O Ω 3 Ω 3 Ω 3 O Ω Ω 3 Ω Ω Ω 3 O Ω O O Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω 03 > ES LS o Ω Ω Ω O Ω 03 o Ω Ω

> > Ω Ω 03 fj Ω 03 S LS D f Ω 03 M CO M M to to M > to σ M > CS L CO M CO M

M M M M M M M M M M M O o O o CO vo o M M VD vo VD vo CO VD CO -o ^1 VD CO vo vo vo CO 00 Ol ^1 Ol on cn cn ^1 oo vo vo vo 00 o 00 M o o

00 to to o M on cn to lb CO M lb on lb on Ol o oo o to eo M M M M O vo o eo CO on o 00 on on CO oo M M ui cn 00 to on Ul Ol vo on Ol CO to o CO M 01 Ul on 00 t OJ cn on Ol cn lb on to on CO o CO o M OJ lb cn cn O CO CO

J /i -O on on on lb lb lb on on lb on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb 00 00 oo 00 00 OJ OJ Ul 0J OJ OJ oo 00 00 OJ

M o o vo vo 00 M o vo o vo co ^1 cn Ol Ul lb lb eo 0J OJ on 00 00 M M O Ol vo vo oo 00 CO lb lb lb on on on Ol lb M on 00 M ~J to lb CO on CO o on lb CO co lb 01 0J ^1 lb vo M lb vo oo vo ^1 eo on VD lb lb M lb on CO eo on lb

CO cn 00 o Ul -J 00 on lb o lb CO vo Ul CO CO O o to CO on o M Ol lb to ^1 00 on 00 o CO OJ M 01 CO o n o M

oo ! on on on lb M M M M -co 00 lb Ol on on ] cn -J M VO VO VD vo oo vo to vo o O vo vo -J co 01 01 Ol 00 ^•J oo vo oo lb o M o ^1 0J lb ^1 Ol vo 0J 00 M co 00 cn o vo Ul OJ lb co o lb lb o o CO CO on oo ι Ol -J o vo CO o OJ OJ ui oo CO -J vo on ui cn lb VO Ol lb ] eo VO CO vo lb -o M vo lb on oo VD M eo oo 00 on 00 lb vo 00 o o CO 00 on cn vo M OJ lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

00 on CO on lb cn lb lb 0J lb lb ui on cn on cn Ol 01 Ul 01 on lb ui Ul Ul lb on on on on on on lb oo lb lb lb 00 OJ lb oo OJ vo eo VD ] lb to o ui -J lb lb OJ oo eo cn 1 co co lb o M VD -3 -J CO oo CO oo lb ~ ^3 M 01 o M CO vo o OJ CO Ul VD

OJ ^1 M o Ul M M -o OJ on CO co CO Ol M M oo lb vo cn ^3 O lb M -J oo o o on M on oo lb lb M 01 eo M o 00 Ul co

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to CO to eo IO M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

M to M o o vo vo O CO 00 ^3 cn VD o O M to OO lb on lb ui on 00 lb Ol Ul lb 00 M co vo O M vo O to M VO cn on on 01 oo lb lb Ul O M CO o vo VD CO 00 Ul Ul VO lb CO Ol VD 00 o CO Ol M 00 0J lb ui M M lb lb M on oo M ^1 on eo eo lb vo o o ^ lb Ol M VO Ul to ^1 O lb 00 lb CO eo 00 O cn vo o CO VD 00 o CO lb Ol ^■o M 00 1 O ^1 Ol Ol on oo Ol on on Ol on Ul on Ul Ul on Ul on Ul Ul on cn on 01 01 Ol 01 on on Ul on on on on ui on on on ui on on on on on on on on lb o vo CO o co 01 ^1 vo 00 co oo vo CO M O M M M o o CO J cn on OJ oo ui lb on lb lb lb 00 lb oo oo to M M VO lb oo M o Ol Ol oo vo Ol VD Ul lb lb vo M CO M lb lb o o cn M lb OJ o o CO CO on vo lb cn o ^1 OJ Ul M

VD o on 00 ui Ul OJ M 00 00 vo 01 00 eo o M M OJ eo on cn M VD o on on M -J on co cn vo CO en cn o o O CO

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M o o o M o M o O VD M M to M eo on ui Ul lb lb 00 CO to Ul to 00 CO M M eo M lb 00 oo OJ Ul M lb 01 oo Ul 00

M 01 o oo to o CO ui ^1 cn VD lb IO o oo M eo O on M o Ol ro to lb OJ M vo ^1 00 co to o CO CO cn t o vo ui VO O CO vo ^1 ^3 OJ -0 Ol on cn CO cn vo o lb 01 lb O on M 00 o lb on o lb lb M lb CO cn lb 0J CO vo M oo to M vo

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul Ul Ul Ul Ul UJ Ul Ul Ul Ul Ul Ul Ui Ul Ul Ui UJ ui UJ Ul o O O O O o O O o O O O o o o o o O vo vo VD vo VD VD vo vo vo vo vo VO vo vo vo vo vo vo vo VD ro to CO M M M M M M M M M M O O o o o o o o O vo vo VO vo VO VO VD oo oo oo oo oo oo oo oo oo oo oo j 1

P P P EC EC EC EC EC EC EC EC EC EC P P P P P P P P P ι9 ι9 ι9 ι ι9 > > > > > > > > TJ J CS ES LS H H H H H i H H H H Ki K; Ki Ki ; i Ki EC EC EC EC EC EC EC 33 ^•pa > 3 >3 33 33 33 33 33 33 33 33 33 33 G G G CΛ CΛ CΛ CΛ ω CO co co CΛ CΛ CΛ CΛ ω cn ω cn n cn cn 33 33 33 33 33 33 33 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω O O

Ω Ω 3 O Ω 3 Ω 3 Ω Ω Ω Ω 3 O Ω 3 Ω Ω Ω Ω Ω 3 O Ω Ω O Ω Ω 3 O Ω 3 3 Ω 3 Ω Ω Ω Ω 3 O Ω 03 > LS CS CJ CJ Ω 03 ts CJ Ω 03 EC EC CS LS D Ω 03 CO M M co > ts > Ω Ω 03 eo M > eo M >

eo to to ro CO eo CO CO CO eo CO CO eo M to M M M M M M M M M M M M eo co to eo CO to CO CO CO CO eo eo CO CO CO eo eo to to to cn on on Ol lb oo CO M VD o on 1 CO CO CO vo vo VO VO CO vo o o M to co on Ol on Ul Ol on lb 00 to CO eo vo CO en o on CO CO M o VD CO lb lb 03 M lb VD on lb ^1 o on ~J co CO ^1 eo lb OJ vo on lb lb CO ] M on M lb ^3 M M o en CO ι Ol CO vo co OJ VD M oo O o OJ Ol Ol vo M vo vo vo CO o 00 on 00 o lb on on CO on CO CO eo lb VO OJ on M ui

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01 CO on Ul oo lb lb on OJ M 00 M lb ^1 Ul on o lb oo 01 o vo o to on CO Ul M 00 o oo 01 vo 01 01 on o lb o lb oo M M M M M M M M

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Ul UJ oo OO o 00 UJ oo 00 00 OJ OJ oo 00 00 J oo OJ 00 oo J OO 00 00 00 00 00 00 OJ oo 00 lb lb lb lb lb lb lb OJ oo lb lb lb lb on lb lb on 01 on on on on on on lb on co ^1 cn Ol on on cn 01 cn ^1 _^! ] -J 00 ^1 CO lb lb lb oo CO O o vo vo o o ] ui M co oo vo on o CO VD 00 on IO to oo o lb vo oo 00 l M 01 CO M o CO lb o vo on VO on lb CO lb vo CO OJ co lb CO

M co lb on ^1 00 vo on VD Ul 00 00 on lb on o on CO Ol cn cn CO eo M o 00 ^1 00 on OJ ^1 ^3 CO lb 00 o Ol oo oo ^1 Ul ^

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb o O o o o o o O O O O O o O O O O O O o o O O O O O O o O O O O O O O O O O O O O O

^1 1 o ] ] -J cn Ol cn cn on Ol Ol cn Ul Ul Ul ui Ul Ul Ul lb lb lb lb lb lb lb lb OJ 00 00 00 00 OJ oo OJ eo CO BO eo CO

> > > > > > H Pi Pi H H Pi H Pi < < < < < < < > > > > > > > > P P P P P P P P P P P P P tn m rn tn in tn P P P P P P P P s ts > > > > > > tn tn cn m tn tn rn tn IS rs rs IS rs rs rs rs rs rs rs IS rs

3 3 3 3 3 3 LS LS t rs r ts ts P P P P P P P 3 3 3 3 3 3 3 3 G G G G c G G G G G G G G

3 o Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 Ω Ω 3 o Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω

CJ ti 63 03 > CJ 63 63 03 > 63 63 03 > J ti 63 03 > CJ J 63 03 t

CO M M M CO CO M eo M CO M > i

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45- o lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on lb on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

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00 00 Ul 00 00 00 oo 00 00 00 Ul Ul 00 Ul Ul 00 00 00 oo 00 Ul Ul Ul oo 00 oo oo oo 00 oo 00 oo 00 oo OJ 0J 00 00 oo oo oo OJ

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lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Φ- lb lb lb lb lb lb lb lb lb lb lb

M M M M M M M M M M M M M M M M M M M M M M O O O o O O O O O O o o O O O O O O O

OJ to CO IO CO t to CO M M M M O O O O O O O O O O O vo VO VO vo VD VD VD VD co oo oo oo 00 CO CO CO 00 ^1 ^3

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Ω Ω 03 IS ES ES fl ti 6J 03 eo M CO M > J Cl 63 03 to M eo M > teso rs O 63 03 >

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M on cn ^3 oo -j vo VD o ui ^3 Ul lb CO o M M M CO M lb 00 CO o vo o J 1 lb Ul O CO vo CO lb CO on ] lb on on M

OO oo oo OJ 00 OJ oo 00 00 OJ OJ UJ 00 00 00 UJ OO oo 00 00 OJ 0J oo Ul OJ 00 00 OJ 0J oo 0J 00 OJ 00 00 OJ OJ OJ 00 oo oo 00

Ol on on Ol on -o Ol O lb cn cn on oo on lb lb lb lb lb lb on on cn on on lb lb lb on on on on on VD VD co ^1 Ul on lb lb lb on lb VD on 00 M on CO O M ] on ^1 o Ol Ul 00 to lb Ol ui cn eo o 00 IO M ~J CO ] o M o o Ol CO CO M ^1 oo o en on on -J o lb 00 on M Ol to O CO VO Ul vo oo M 00 M lb CO 01 o 00 o 01 -J vo oo on M lb on Ol ^1 lb ui eo 01 ] vo

413 LEU CA 18..98 35..20 7..87 35..50

413 LEU CB 20. .01 34. .67 6. .86 35. .76

413 LEU CG 19. .45 33. .73 5. .78 35. .34

413 LEU CDI 20. .54 33. .42 4. .78 35. .13

413 LEU CD2 18. .93 32. .45 6. .43 35. .19

413 LEU C 19. .70 35. .95 8. .98 35. .42

413 LEU 0 20. .02 37. .13 8. .84 35. .20

414 ALA N 19. .97 35. .26 10. .09 35. .59

414 ALA CA 20. .65 35. .89 11. .22 35. .47

414 ALA CB 20. .63 34. .97 12. .42 34. .64

414 ALA C 22. .09 36, .24 10. .85 34, .67

414 ALA 0 22. .65 35, .67 9, .92 34, .12

415 PHE N 22. .66 37, .20 11. .56 34, .74

415 PHE CA 24. .04 37, .61 11. .30 34, .91

415 PHE CB 24, .09 38, .73 10. .26 35, .01

415 PHE CG 23 , .30 39, .96 10, .64 34, .54

415 PHE CDI 21, .93 40, .02 10, .41 35, .12

415 PHE CD2 23 , .93 41, .04 11, .26 36, .00

415 PHE CEl 21, .19 41, .14 10, .77 35, .96

415 PHE CE2 23, .21 42, .17 11, .63 35, .39

415 PHE CZ 21. .83 42. .22 11 .38 35, .39

415 PHE C 24. .66 38. .09 12, .62 35, .17

415 PHE 0 23. .98 38. .12 13 .65 34, .06

416 CYS N 25, .94 38. .45 12, .58 35, .17

416 CYS CA 26, .63 38. .95 13, .76 34, .66

416 CYS CB 27, .56 37. .87 14, .33 36, .05

416 CYS SG 28, .84 37. .27 13, .21 33, .91

416 CYS C 27, .41 40. .22 13, .42 34, .89

416 CYS 0 27, .57 40. .54 12, .24 34, .47

417 ARG N 27, .87 40. .95 14, .43 35, .13

417 ARG CA 28, .63 42. .17 14, .16 35, .75

417 ARG CB 29, .06 42. .87 15, .45 35, .67

417 ARG CG 27, .96 43. .30 16, .38 36. .24

417 ARG CD 28, .59 44. .03 17, .55 37, .06

417 ARG NE 27, .66 44. .20 18, .65 37, .56

417 ARG CZ 27, .92 44. .92 19, .73 38. .15

417 ARG NHl 29, .08 45. .54 19, .86 37, .52

417 ARG NH2 27. .00 45, .02 20, .69 38, .24

417 ARG C 29. .89 41, .89 13, .35 35, .27

417 ARG 0 30. .34 42, .75 12, .58 34, .81

418 ARG N 30. .47 40, .71 13, .53 35. .41

418 ARG CA 31 .68 40 .38 12 .80 35 .56 418 ARG CB 32..28 39..04 13..27 36..12

418 ARG CG 33. .14 39. .13 14. .53 36. .98

418 ARG CD 33. .93 37. .85 14. .78 36. .48

418 ARG NE 33. .08 36. .67 15. .02 35. .70

418 ARG CZ 32. .78 35. .76 14, .10 35. .50

418 ARG NHl 33. .25 35, .86 12, .86 34. .91

418 ARG NH2 31. .99 34. .75 14, .41 34. .85

418 ARG C 31. .42 40. .33 11, .29 35. .88

418 ARG 0 32. .28 40. .69 10, .50 35. .46

419 TRP N 30, .22 39. .90 10, .91 35. .51

419 TRP CA 29. .88 39. .80 9. .51 35. .64

419 TRP CB 28. .68 38. .86 9. .33 35. .19

419 TRP CG 29. .01 37. .41 9. .62 34. .89

419 TRP CD2 28. .11 36. .30 9. .61 35. .01

419 TRP CE2 28. .86 35. .14 9. .92 35. .09

419 TRP CE3 26. .73 36. .17 9. .38 35. .19

419 TRP CDI 30. .24 36. .90 9. .92 34. .61

419 TRP NEl 30. .16 35, .54 10. .10 34. .19

419 TRP CZ2 28. .29 33 , .87 9, .99 35. .34

419 TRP CZ3 26. .16 34, .90 9, .45 35. .37

419 TRP CH2 26. .94 33 , .77 9. .76 35. .31

419 TRP C 29. .63 41. .17 8. .88 34. .95

419 TRP 0 29. .60 41, .31 7. .66 35. .60

420 LEU N 29, .45 42, .17 9. .73 36. .31

420 LEU CA 29. .26 43, .54 9. .28 36. .29

420 LEU CB 28. .43 44, .34 10. .29 36. .62

420 LEU CG 26, .93 44, .03 10. .32 36. .00

420 LEU CDI 26, .25 44, .83 11. .42 36. .59

420 LEU CD2 26, .30 44, .35 8. .96 36. .45

420 LEU C 30, .66 44, .16 9. .14 36. .79

420 LEU 0 30. .96 44, .80 8. .13 35, .52

421 ASP N 31. .53 43. .95 10 .13 37, .03

421 ASP CA 32. .89 44, .48 10 .06 38. .29

421 ASP CB 33. .75 44, .02 11 .24 39. .20

421 ASP CG 33. .14 44 .35 12 .57 39. .19

421 ASP ODl 32. .59 45 .45 12 .73 39. .45

421 ASP OD2 33 .24 43 .50 13 .48 39. .77

421 ASP C 33 .52 43 .97 8 .78 37 .93

421 ASP 0 34 .14 44 .71 8 .02 37. .79

422 ARG N 33 .35 42 .66 8 .56 38 .85

422 ARG CA 33 .87 41 .95 7 .39 38. .40

422 ARG CB 33. .28 40. .55 7 .38 39. .10 lb lb lb lb ib lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

CO CO CO CO to t eo CO to CO CO CO CO eo eo to to to eo to to CO CO CO o co co to to to CO CO CO eo CO eo CO to CO CO CO

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3 Ω Ω Ω Ω Ω 3 O Ω o Ω Ω 3 Ω Ω Ω 2 Ω Ω

IS ES CJ Ω 03 > 63 03 > LS LS CJ Ω

OJ 00 00 00 oo oo 00 00 oo oo OJ Ul 00 OJ Ul CO CO CO co to 00 00 oo 00 UJ 0O 00 00 Ul to eo 0J oo oo 00 oo 00 00 OJ 00 00 OJ

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OJ 00 OO CO CO CO CO o M vo vo o o 00 VD O O o O vo vo vo CO o o o CO vo -J 1 CO CO vo VO CO o O vo vo vo VD oo o lb M M CO lb on oo CO on CO CO ui 00 ] 00 o lb O to CO Ul 00 M 01 01 CO to 01 lb oo oo M CO vo o o -J CO oo o on

CO ^3 CO on co 00 on cn 00 lb on eo ] 1 on lb 00 on CO CO on 01 lb oo CO 00 vo lb on o M cn 01 CO Ol Ul ui oo 00 M ] lb

lb lb lb lb lb lb lb lb 1b lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

OJ OJ Ul Ul Ul UJ OJ OJ OJ OJ OJ Ul Ul Ul Ul UJ OJ OJ oo 00 to to to to to to to CO CO to to eo CO CO co CO CO o to CO CO CO

CO to to to t to to M M M M M O o o O o O O O VO VO vo vo VO vo vo VO oo oo 00 00 oo 00 00 00 00 00 CO 00 ! ^1

P P P P P P P > > > > ES ES ES ES ES ES ES ES P P P P P P P P ι ι9 H H H H H H ►9 ι9 ι ι P P rs rs rs IS ts ts rs P P P P P IS t rs rs rs rs rs rs rs rs rs rs rs rs ts rs Ki Ki Ki Ki Ki Ki Ki i Ki Ki Kj KJ KJ

G G G G G G G > > > > > ¹-3 H H ^pj H H PJ ^PJ G G G G G G G G 33 33 33 33 33 33 33 33 33 33 33 33 00 ω

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449 ASP OD2 20. .96 26. .17 33. .73 38. .23

449 ASP C 23. .20 30. .10 34. .11 38. .67

449 ASP 0 24. .05 30. .93 33. .77 37. .56

450 ILE N 22. .94 29. .80 35. .38 40. .24

450 ILE CA 23. .66 30. .46 36. .47 39. .98

450 ILE CB 23. .15 29. .98 37. .87 41, .33

450 ILE CG2 21. .62 30. .02 37. .91 40, .14

450 ILE CGI 23. .68 28. .58 38. .19 40, .53

450 ILE CDI 23. .04 27. .91 39, .41 42, .20

450 ILE C 25. .16 30. .22 36. .41 39. .83

450 ILE 0 25. ,61 29. ,21 35. .87 39. .01

451 LYS N 25. .93 31. .16 36. .96 40. .36

451 LYS CA 27. .38 31. .08 36. .99 40. .28

451 LYS CB 27. .96 32. .30 37. .72 40. .34

451 LYS CG 29. .47 32. .21 37. .93 40. .81

451 LYS CD 30. .05 33. .47 38. .54 41. .35

451 LYS CE 31. .57 33. .35 38. .66 42, .13

451 LYS NZ 31. .93 32. .01 39. .21 42, .67

451 LYS C 27. .81 29, .82 37, .73 39, .92

451 LYS 0 27. .23 29, .46 38, .75 39, .19

452 GLY N 28. .83 29, .15 37, .20 39, .99

452 GLY CA 29. .31 27, .93 37, .84 39, .73

452 GLY C 28. .78 26, .64 37 .25 39, .27

452 GLY 0 29, .38 25, .57 37 .47 38, .42

453 SER N 27, .68 26, .71 36 .51 38. .65

453 SER CA 27, .08 25, .52 35 .91 38. .26

453 SER CB 25. .57 25, .70 35 .75 38. .22

453 SER OG 25. .29 26, .73 34 .80 38 .04

453 SER C 27. .65 25, .18 34 .55 37 .77

453 SER 0 28. .29 25, .99 33 .90 37 .49

454 TYR N 27. .39 23 .95 34 .12 38 .58

454 TYR CA 27. .86 23 .46 32 .84 37 .94

454 TYR CB 28. .77 22 .24 33 .06 38 .46

454 TYR CG 29. .97 22 .54 33 .92 38 .78

454 TYR CDI 31 .02 23 .32 33 .45 38 .64

454 TYR CEl 32 .11 23 .65 34 .28 38 .97

454 TYR CD2 30 .02 22 .09 35 .24 38 .57

454 TYR CE2 31 .09 22 .41 36 .08 39 .41

454 TYR CZ 32 .12 23 .20 35 .59 39 .47

454 TYR OH 33 .16 23 .53 36 .43 39 .45

454 TYR C 26. .67 23 .07 31 .99 37 .82 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on on on on on on on Ul ui ui Ul ui on on on on on on on Ul Ul Ul on ui Ul ui ui Ul Ul Ul ui Ul Ul Ul ui ui Ul ui Ul ui on on vo vo vo o vo vo vo vo VD CO CO CO 00 CO oo oo 00 CO CO CO ] ] -j o ^1 ^3 ^•^1 1 1 on Ol 01 Ol Ol ui Ul Ul Ul Ul on on lb

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M M M M

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CO 00 OO OJ J o O M M OJ 00 lb lb on O VO Ol Ol lb Ul Ul on cn ui on OJ lb 00 00 00 00 lb 00 lb on on on on lb oo lb oo lb O to lb 00 lb CO M Ul 00 vo cn ^1 CO Ul O Ul Ul o cn lb VD 00 00 on O CO M Ol o ^1 M ^1 CO vo oo lb 00 lb vo oo VD ui M ^1 M cn ! M M VO co on ] 00 vo ] CO Ol CO lb CO lb eo vo OJ on on M lb ^1 on co ] O VO oo on vo Ol cn M lb to

470 GLU CG 17..17 12..09 5,.26 42,.80

470 GLU CD 17, .33 12. .44 3, .79 42. .31

470 GLU OEl 16, .31 12. .45 3, .07 42. .30

470 GLU OE2 18, .48 12. .70 3. .34 42. .14

470 GLU C 16, .21 12. .76 8, .10 42. .84

470 GLU 0 15, .92 13. .96 8, .13 42, .36

471 VAL N 17, .16 12. .21 8, .85 42, .64

471 VAL CA 18, .00 13. .02 9, .72 42, .02

471 VAL CB 18, .60 12. .20 10, .88 42, .51

471 VAL CGI 19, .27 13. .14 11, .89 42, .24

471 VAL CG2 17, .52 11. .38 11, .57 42. .18

471 VAL C 19, .12 13. .41 8, .76 41. .41

471 VAL 0 20, .21 12. .84 8, .78 40. .78

472 VAL N 18, .80 14. .37 7, .89 41, .37

472 VAL CA 19, .70 14. .86 6, .85 41, .00

472 VAL CB 18, .96 15. .96 6, .02 40. .72

472 VAL CGI 18, .63 17. .15 6, .90 40. .14

472 VAL CG2 19, .78 16, .36 4, .80 40, .01

472 VAL C 21. .09 15, .34 7. .28 40, .97

472 VAL 0 22, .04 15, .24 6, .50 40, .16

473 SER N 21, .23 15, .83 8, .50 41. .14

473 SER CA 22, .53 16. .30 8, .98 40. .76

473 SER CB 22 .34 17, .51 9, .90 41. .36

473 SER OG 21, .54 17, .20 11, .03 41. .89

473 SER C 23 .33 15, .21 9, .72 41, .37

473 SER 0 24 .43 15, .47 10, .21 40, .69

474 ARG N 22, .78 14, .00 9, .78 40, .62

474 ARG CA 23 .46 12, .90 10, .46 40, .62

474 ARG CB 22. .63 11, .61 10, .39 39, .38

474 ARG CG 23 .32 10, .42 11, .06 38, .85

474 ARG CD 23 .17 10, .52 12, .56 38, .89

474 ARG NE 21 .77 10, .39 12. .94 39, .55

474 ARG CZ 21 .28 10, .61 14, .15 39, .51

474 ARG NHl 22 .09 10, .98 15, .14 40, .56

474 ARG NH2 19 .98 10, .45 14 .38 40, .57

474 ARG C 24 .81 12, .61 9 .84 40, .35

474 ARG 0 24 .96 12, .65 8, .62 40, .05

475 GLY N 25 .79 12, .31 10 .68 41, .70

475 GLY CA 27 .12 12, .02 10 .16 41. .86

475 GLY C 27 .70 10. .83 10 .88 41. .53

475 GLY O 27 .06 10. .25 11 .75 40, .67

476 ASP N 28 .91 10. .44 10, .50 42, .32 476 ASP CA 29..57 9..31 11..14 42..20

476 ASP CB 30. .81 8. .89 10. .33 43. .84

476 ASP CG 31. .78 10. .04 10, .11 44. .93

476 ASP ODl 32. .19 10. .67 11. .10 45. .42

476 ASP OD2 32. .15 10. .31 8, .93 45. .65

476 ASP C 29. .97 9. .74 12, .55 41. .97

476 ASP O 30. .09 8. .91 13, .45 41. .64

477 ASP N 30. .16 11. .05 12, .72 41. .28

477 ASP CA 30. .55 11. .62 14, .01 41. .08

477 ASP CB 31. .05 13. .06 13. .82 41, .19

477 ASP CG 30. .18 13. .88 12, .87 40, .92

477 ASP ODl 29. .04 13. .47 12, .57 41, .08

477 ASP OD2 30. .65 14. .96 12, .44 41, .59

477 ASP C 29. .46 11. .60 15, .07 40, .04

477 ASP O 29. .71 11, .23 16, .21 39, .02

478 TYR N 28. .25 12, .02 14, .70 40. .08

478 TYR CA 27. .12 12, .04 15, .64 38. .96

478 TYR CB 27. .32 13, .14 16, .71 39, .26

478 TYR CG 27. .28 14, .56 16 .16 38, .40

478 TYR CDI 28. .36 15, .10 15 .47 38, .56

478 TYR CEl 28, .30 16, .38 14 .90 39, .11

478 TYR CD2 26, .13 15, .34 16 .30 38, .21

478 TYR CE2 26, .05 16. .62 15 .74 39, .50

478 TYR CZ 27, .14 17. .14 15 .04 39, .24

478 TYR OH 27, .07 18. .39 14 .45 39, .23

478 TYR C 25, .85 12, .32 14 .85 39, .62

478 TYR 0 25, .99 12, .70 13 .67 38, .73

478 TYR OT 24, .75 12, .18 15 .42 39, .30

602 HOH 0 16. .51 32 .77 9 .47 32, .27

603 HOH 0 36. .97 20, .80 28 .68 33, .21

604 HOH 0 19. .16 32, .29 10 .17 35. .06

605 HOH 0 30. .14 31 .95 25 .96 37. .62

606 HOH 0 30. .01 39 .12 15 .98 37, .51

607 HOH 0 27, .73 37 .58 22 .24 40, .77

608 HOH 0 37, .33 30 .41 28 .24 33, .68

609 HOH 0 28, .51 29 .93 10 .84 36, .63

610 HOH 0 43, .44 25 .87 29 .77 38, .41

611 HOH 0 13, .88 38 .30 14 .39 32, .51

612 HOH 0 32, .25 43 .05 16 .04 30, .92

613 HOH 0 21. .53 76 .94 14 .76 69, .47

614 HOH 0 18. .02 9 .04 17 .02 45, .34

615 HOH 0 40 .97 25 .23 32 .04 36, .77 616 HOH O 31..62 14..84 18..98 47..91

617 HOH O 23 .09 46, .51 20. .32 50. .19

618 HOH O 25. .81 12. .91 46. .09 41. .78

619 HOH O 34. .37 15. .52 28. .25 36, .32

620 HOH O 24. .65 30, .25 16. .96 39, .65

621 HOH O 24. .25 37, .35 21. .03 33, .74

622 HOH O 35, .42 23, .31 35. .40 35, .79

623 HOH O 23, .70 49, .63 0. .00 1, .67

624 HOH O 27, .71 23, .06 38. .19 39, .92

625 HOH O 19, .12 35, .34 22. .52 33, .66

626 HOH O 29 .89 37 .64 2 .25 44 .12

627 HOH O 23 .55 29 .71 19 .28 40 .78

628 HOH O 12. .93 25 .44 3 .82 36 .11

629 HOH O 9 .13 27 .61 4 .24 42, .73

630 HOH O 20 .01 14 .07 -3 .20 49 .64

631 HOH O 42 .05 36 .33 17 .52 42 .71

632 HOH O 25 .41 71 .86 18 .04 69 .64

633 HOH O 44 .91 19 .23 25 .32 1, .67

634 HOH O 25 .88 45 .32 0 .45 48, .62

635 HOH 0 44 .93 23 .67 16 .78 34, .80

636 HOH 0 39 .87 27, .21 33 .22 41, .02

637 HOH 0 29 .49 39, .15 6 .05 37, .86

638 HOH 0 34 .97 25, .33 32 .81 51, .12

639 HOH 0 21. .29 40, .53 -2 .52 39, .83

640 HOH 0 0. .46 6, .05 5 .35 45, .29

641 HOH 0 23. .92 33, .24 2 .45 40, .98

642 HOH 0 0. .00 40, .33 25. .32 1, .67

643 HOH 0 30. .61 27, .52 34. .49 35, .64

644 HOH 0 17, .70 6, .17 29. .77 42. .38

645 HOH 0 31, .93 39, .84 22. .44 40. .80

646 HOH 0 31, .27 14, .53 9. .91 49. .59

647 HOH 0 35, .66 41, .76 13. .09 47. .46

648 HOH 0 17, .40 46, .80 0. .03 43. .13

649 HOH 0 24, .43 72, .72 15. .84 79. .47

650 HOH 0 30. .16 14. .12 33. .02 39. .91

651 HOH 0 27, .80 74. .94 8, .69 53, .33

652 HOH 0 6, .11 18, .88 26. .64 41, .94

653 HOH 0 11, .70 23, .00 26, .36 52. .04

654 HOH 0 10. .96 77. .22 -2, .32 54. .38

655 HOH 0 20, .02 27. .09 19. .91 45. .89

656 HOH 0 22. .73 14. .88 3. .45 39. .59

657 HOH 0 29 .96 11. .08 35 .70 45. .48 658 HOH O 26..78 27..79 20..78 33..11

659 HOH O 23. .60 34. .87 7. .36 37. .92

660 HOH O 24. ,70 8. 02 34. .81 40. .70

661 HOH O 27. ,27 54. 23 16. ,56 41. .49

662 HOH O 28. .92 36. .43 6. ,28 37. .84

663 HOH O 28. ,86 23. .52 -2. .81 43. .59

664 HOH O 15. .13 26. .40 5. .41 35. .67

665 HOH O 20. .55 16. .32 -12. .19 41. .93

666 HOH O 9. .95 28. ,32 15. .93 38. .86

667 HOH O 16. .35 35. .38 23. .48 43. .42

668 HOH O 33. .63 34. .74 8. .75 41. .61

669 HOH O 14. .16 19. .63 20. .52 46, .87

670 HOH O 30. .54 20. .49 39. .93 41, .99

671 HOH O 41, .12 39. .20 19. .56 42. .81

672 HOH O 26. .33 10. .16 47. .33 43. .13

673 HOH O 18. .23 28. .87 19, .39 42, .72

674 HOH O 8, .71 22. .90 4, .84 45, .92

675 HOH O 37, .69 40. .57 25 .92 43, .79

676 HOH O 38. .26 35. .49 8, .36 49. .23

677 HOH O 27. .88 11. .93 2. .80 47. .79

678 HOH O 33, .46 26. .96 34, .10 43, .52

679 HOH O 40, .27 33. .63 28, .26 46, .69

680 HOH O 28, .28 54, .20 9, .54 49, .40

681 HOH O 0, .11 -0. .38 16, .95 53, .53

682 HOH 0 14, .12 35. .93 10, .37 45, .61

683 HOH 0 16, .85 27, .19 21, .63 45, .59

684 HOH 0 16, .51 51, .19 3 .63 47 .13

685 HOH 0 1, .65 3, .50 7 .75 49 .66

686 HOH 0 12 .56 12, .35 34 .36 47 .96

687 HOH 0 37 .91 16. .16 21 .06 48 .03

688 HOH 0 23 .16 34 .87 -5 .87 46 .63

689 HOH 0 30 .61 32 .79 28 .53 41 .52

690 HOH 0 44 .91 28 .78 11 .35 47 .36

691 HOH 0 6. .24 0, .00 0 .00 16 .67

692 HOH 0 33 .38 35. .23 28 .28 47 .01

693 HOH 0 6 .11 4. .27 2 .93 49 .62

694 HOH 0 25 .68 54 .09 13 .63 45 .38

695 HOH 0 38 .06 44 .14 13 .25 51 .05

696 HOH 0 3 .05 9 .83 6 .33 46 .09

697 HOH 0 37 .69 22 .98 38 .88 44 .12

698 HOH 0 28 .53 28 .25 8 .74 41 .12

699 HOH 0 36 .31 36 .52 5 .22 49 .75 700 HOH 0 33..88 16,.34 23..30 47..82 701 HOH O 13. .37 32, .77 12. .23 45. .78

702 HOH O 36. .64 41, .30 9. .49 50. .37

703 HOH O 40. .49 37, .62 9. .50 46. .68 704 HOH O 14. .19 13, .53 38. .08 48. .31

705 HOH O 33. .90 21, .74 43. .43 45. .64

706 HOH O 35. .59 15, .98 38. .17 46. .92

707 HOH O 14. .29 2, .52 11. .15 48. .34

708 HOH O 24. .22 26, .62 21. .20 34. .60

709 HOH O 16. .77 40, .44 1. .09 37, .64

710 HOH O 34. .34 47. .80 12. .20 40. .06

711 HOH O 38. .04 35. .74 21. .05 38. .73

712 HOH O 39. .04 17, .21 7. .59 43. .89

713 HOH O 2. .20 5, .67 -0. .94 42. .38

714 HOH O 13. .39 3, .05 4, .30 46. .86

715 HOH O 32. .86 50, .45 13. .90 43. .98

716 HOH O 26. .11 35, .61 5. .60 39. .53

717 HOH O 5, .94 13, .52 -8, .66 45. .13

718 HOH O 32. .19 44, .29 22. .02 40, .80

719 HOH O 13, .07 30, .17 22. .89 41, .82

720 HOH O 35, .49 31 .92 29. .08 42, .00

721 HOH O 24, .54 29 .09 -5. .94 43, .57

722 HOH O 40, .67 27 .15 3 .26 47, .01

723 HOH O 44, .91 38 .47 25 .32 15, .09

724 HOH O 10, .90 29 .08 32 .81 46, .94

725 HOH O 37, .46 13 .87 26 .00 47, .59

726 HOH O 12 .84 43 .60 1 .53 49, .50

727 HOH O 2 .48 11 .21 30 .42 46, .72

728 HOH O 39 .54 27 .55 7 .04 43, .02

729 HOH O 24 .77 10 .69 17 .89 44 .83

730 HOH O 4 .30 1 .25 4 .90 44 .95

731 HOH O 27 .41 38 .92 3 .38 44 .81

732 HOH O 44 .91 12 .41 25 .32 15 .09

733 HOH O 35 .15 32 .12 -0 .19 47 .68

734 HOH O 19 .32 4 .42 6 .94 49 .34

735 HOH O 8 .83 25 .77 0 .10 47 .65 736 HOH O 40 .20 38 .97 13 .18 46 .33

737 HOH O 38 .24 15 .57 13 .32 43 .69

738 HOH O -0 .97 49 .44 19 .49 42 .69 739 HOH O 38 .45 44 .53 5 .64 39 .37

740 HOH O 9 .54 25 .33 25 .34 46 .41

741 HOH O 28 .54 36 .42 -2 .59 49 .64 742 HOH O 40..40 44..10 22..79 45..86

743 HOH O 11. .04 55. .53 9. .68 43. .33

744 HOH O 7. .75 49. .17 18, .29 48. .37

745 HOH O 26. .91 56. .44 14, .51 46. .26

746 HOH O 12. .54 10. .39 -14, .36 45, .37

747 HOH O 45. .17 19. .37 13 , .24 41, .45

748 HOH O 45. .96 38. .15 16, .15 42, .59

749 HOH O 0. .88 15. .69 8, .69 49, .38

750 HOH O 45. .24 35. .51 22, .92 42, .62

751 HOH O 0, .00 34. .74 25, .32 15. .09

752 HOH O 4. .74 -0. .06 11. .21 44. .19

753 HOH O 29. .50 38. .59 32 , .81 45. .92

754 HOH O 33. .37 37. .87 25. .68 43. .93

755 HOH O 44. .69 15. .89 18, .06 46. .49

756 HOH O 45. .25 20. .70 16, .63 44. .18

757 HOH O 11. .74 19. .89 -6, .27 46. .92

758 HOH 0 22, .17 42. .69 -3, .40 40. .60

759 HOH 0 41, .06 34. .84 13 , .22 43. .14

760 HOH 0 29. .24 47. .16 3, .17 44. .42

761 HOH 0 39. .14 12, .48 4, .09 44. .95

762 HOH 0 44, .87 23, .72 10, .62 42. .54

763 HOH o 23 , .29 35. .40 4 .32 41, .89

764 HOH 0 9, .23 30, .39 0, .97 44, .90

765 HOH 0 15, .84 32, .78 21 .12 42, .04

766 HOH 0 2, .63 11, .65 19 .92 43 , .27

767 HOH 0 36, .78 8, .76 10 .30 44, .24

768 HOH 0 13, .05 46, .37 1 .28 44, .07

769 HOH 0 7 .64 22, .67 -3 .27 42, .36

770 HOH 0 40 .52 47, .30 6 .88 44, .98

771 HOH 0 6 .24 49 .63 0 .00 16, .52

772 HOH 0 7 .95 19 .32 -8 .85 46, .27

773 HOH 0 4 .18 6 .80 4 .72 45, .95

774 HOH 0 30 .20 30 .67 34 .94 45 .60

775 HOH 0 36 .56 45 .72 2 .56 45 .58

776 HOH 0 27 .66 7 .45 30 .37 43 .06

777 HOH 0 -0 .81 27 .41 17 .62 44 .01

778 HOH 0 33 .61 31 .08 31 .07 43 .75

779 HOH 0 -0 .90 52 .00 8 .21 44 .41

780 HOH 0 2 .16 37 .54 11 .57 44 .25

781 HOH 0 12 .32 36 .52 12 .03 45 .96

782 HOH 0 16 .14 47 .25 23 .88 45 .84

783 HOH 0 5 .41 8 .72 25 .65 44, .40 784 HOH O 26..30 35..43 1..28 42..59

785 HOH O 28. ,29 34. .68 40. .62 42. .76

786 HOH O 15. ,43 45. .53 20. .63 45. .52

787 HOH O 24. ,45 8. .84 7. .94 42. .29

788 HOH O 29. ,30 52. ,61 5. .67 43. .93

789 HOH O 33. .39 50. .69 3. .22 44. .01

790 HOH O 32. .44 0. .00 0. .00 16. .52

791 HOH O 30. .72 5. .30 25. .00 45. .20

792 HOH O 32. .98 9. .17 38. .69 47, .57

793 HOH O 25. .75 52. .92 8. .54 44, .18

794 HOH O 33. .61 46. .57 15. .17 43. .87

795 HOH O 1. .86 0. .65 13. .35 46. .21

796 HOH O 47. .77 36. .49 22. .85 46, .88

797 HOH O 14. .52 49. .67 1. .44 47, .72

798 HOH O 39. .00 23. .75 -4. .97 46, .76

799 HOH O 8. .76 23. .29 8. .55 43 , .01

800 HOH O 36. .86 44. .55 23, .95 44, .15

801 HOH O 7. .92 3. .11 1, .25 45, .85

802 HOH O 2. .22 1. .16 1. .32 46, .93

803 HOH O 14. .99 34, .80 27, .16 45, .11

804 HOH O 30. .03 7, .33 34, .20 46, .95

805 HOH 0 25, .08 8, .57 -5, .27 47, .55

806 HOH 0 20, .44 50, .97 27, .00 40, .21

807 HOH 0 42, .36 8, .37 23, .83 43. .81

808 HOH 0 41, .90 13, .12 19, .09 46. .66

809 HOH 0 3, .80 2, .85 16, .08 46. .58

810 HOH 0 0, .67 4, .49 21, .64 47. .25

811 HOH 0 -0, .96 38, .28 21, .43 43. .72

812 HOH 0 31, .70 29, .86 -10, .14 45. .45

813 HOH 0 8, .49 31, .32 17, .21 45. .39

814 HOH 0 45, .96 32. .47 20, .43 45. .81

815 HOH 0 13, .17 34. .14 16, .20 41. .83

816 HOH 0 17, .50 -4. .19 8, .67 41 .73

817 HOH 0 5, .47 7. .32 29 .32 47 .10

818 HOH 0 3, .82 22. .44 -1 .92 44 .33

819 HOH 0 3, .89 16. .46 28 .19 42 .87

820 HOH 0 12 .18 39 .92 30 .80 44 .40

821 HOH 0 11 .79 5 .10 -7 .57 47 .28

822 HOH 0 20 .24 24 .23 -5 .63 43 .12

823 HOH 0 16 .52 13 .69 41 .27 45 .96

824 HOH 0 6 .63 13 .55 -14 .01 47 .78

825 HOH 0 22 .13 1 .62 12 .89 43 .84 826 HOH 0 10..88 44..14 30..33 48,.05

827 HOH O 1. .44 6. .42 15. .21 48. .22

828 HOH O 33. .15 11. .26 -8. .25 47. .46

829 HOH 0 3. .72 25. .87 25. .26 44. .88

830 HOH O -3. .77 37. .23 18. .08 46. .97

831 HOH 0 29. .11 58. .21 13. .98 43. .45

832 HOH O 24. .74 28. .57 -8. .38 47. .97 833 HOH O 7. .58 6, .82 32. .86 45. .13 834 HOH 0 40. .10 43. .97 16. .01 46. .06 835 HOH 0 -5. .48 50, .65 5. .13 45. .35 836 HOH 0 1. .33 8. .44 -8. .38 43. .44 837 HOH 0 21. ,80 36. .68 -4. .05 42. .90 838 HOH 0 5. .85 12. .94 34. .13 48. .79

839 HOH 0 27. .26 48. .02 0. .70 47. .12

840 HOH O 32. .69 10. .48 32. .73 46. .22

841 HOH O 18. .68 21. .62 -6, .65 45, .64

842 HOH O 7. .61 17. .71 40, .23 46, .74

843 HOH O 1. .56 21. .48 -0, .89 45, .48

844 HOH 0 2. .07 41. .79 2, .91 47, .32

845 HOH O 24. .77 44. .02 23, .86 43, .75

846 HOH O 43. .20 36, .89 23, .36 49, .30

847 HOH 0 32. .98 30, .21 -13, .63 45, .03

848 HOH 0 31. .78 1, .73 25, .67 45, .19

849 HOH 0 47. .02 11, .24 3, .77 45, .04

850 HOH O -5. .37 8, .75 -1, .28 47, .20

851 HOH O 30. .99 7, .25 27, .42 48, .80

852 HOH O 35, .94 15, .65 44 .92 46, .00

853 HOH O 10, .54 42 .87 16 .14 46. .23

854 HOH O 25. .05 1 .61 -5, .75 46. .38

855 HOH O 11. .89 8 .85 26 .91 45. .90

856 HOH O 18, .90 47 .66 23 .09 44. .80

857 HOH O 19. .94 -5 .91 5 .42 45 .23

858 HOH O 15, .50 35 .87 1 .22 45 .17

859 HOH O 47, .51 14 .25 16 .12 44 .41

860 HOH O 42, .35 21 .08 -8 .79 45 .18

861 HOH O 24, .91 -1 .98 17 .98 44 .05

862 HOH O -3. .22 1 .10 -1 .84 43 .96

863 HOH O 37. .13 12 .00 40 .53 46 .36

864 HOH O 37 .81 10 .70 -9 .95 44 .18

865 HOH O 15. .09 5 .93 14 .74 48 .24

866 HOH O 38 .81 42 .82 27 .85 45 .86 867 HOH O 13. .32 45 .95 24 .12 47. .08 868 HOH O 13.,33 34..49 20.,65 45..74

869 HOH O 43. .45 9. .49 7. ,98 44. .73

870 HOH O 24. ,47 43. 63 30. ,21 44. .90

871 HOH O 44. .22 24. .41 1. .38 47. .29

872 HOH O 9. .72 31. .05 4. .81 46. .45

873 HOH O 5. ,20 -1. .91 9. .58 46. .11

874 HOH O 16. ,35 10. .91 43. .39 46. .27

875 HOH O 38. .45 7. .78 30. .82 44. .03

876 HOH O 23. .36 2. .47 8. .52 46. .24

877 HOH O 36. .20 46. ,35 8. .57 46. .47

878 HOH O 6. .78 43. .31 29, .78 45. .19

879 HOH O 5. .50 2. .65 8, .02 43, .20

880 HOH O 34, .24 44. .34 29, .22 47, .99

881 HOH O 1, .67 20. .33 3, .66 46, .80

882 HOH O 38, .84 17. .73 45, .80 45. .82

883 HOH O 1, .36 11, .75 6, .27 47. .29

884 HOH O 28, .72 10, .16 48 .56 46, .35

885 HOH O 32, .67 8, .97 18 .81 43 , .74

886 HOH O -2 .39 22, .18 18 .81 46, .98

887 HOH O 40 .88 15, .21 23 .22 48, .21

888 HOH 0 28 .73 8, .92 22 .89 45, .03

889 HOH 0 36 .23 7. .13 29 .67 44, .89

890 HOH 0 -0. .09 7. .55 -11 .79 46, .29

891 HOH 0 1 .62 48. .02 10 .70 43, .71

892 HOH 0 39 .29 26. .06 35 .49 42, .70

893 HOH 0 5 .19 22. .50 23 .29 43, .08

894 HOH 0 7 .91 46. .70 22 .61 43, .32

895 HOH 0 -3 .30 49. .00 10 .21 46, .18

896 HOH 0 2 .19 32. .58 14 .19 45, .39

897 HOH 0 0 .40 -1 .98 10 .84 43, .57

898 HOH 0 -1 .53 2 .19 19 .58 45, .93

899 HOH 0 -2 .14 6 .05 -2 .59 45, .76

900 HOH 0 42 .67 14 .61 28 .56 43, .11

901 HOH 0 0 .64 44 .95 22 .78 43, .68

902 HOH 0 33 .51 3 .87 28 .77 48, .00

903 HOH 0 -0 .78 6 .29 -16 .07 45. .93

904 HOH 0 16 .61 19 .64 40 .15 46 .79

905 HOH 0 24 .10 53 .18 23 .17 45 .09

906 HOH 0 32 .68 39 .85 -1 .74 47 .28

907 HOH 0 9 .48 17 .31 35 .59 45 .49

601 R18 Cl 19 .62 30 .75 16 .24 38 .43

601 R18 C2 19 .84 29 .29 16 .29 37 .94 601 R18 C3 18.29 31.29 16.30 39.41

601 R18 C4 20 .71 31 .66 16, .10 38 .56

601 R18 C5 20 .98 28 .50 16, .18 37 .19

601 R18 N6 18 .84 28 .35 16, .50 37 .25

601 R18 C7 18 .07 32 .71 16, .26 38 .85

601 R18 C8 20 .49 33 .07 16, .06 39 .87

601 R18 N9 20 .65 27 .18 16, .31 37 .35

601 R18 N10 19 .33 27 .09 16, .51 37 .30

601 R18 Cll 19 .16 33 .59 16, .12 39. .38

601 R18 C12 16 .67 33 .26 16, .33 39. .31

501 C02 CO+2 21. .56 25. .45 16. .10 23. .31

502 C02 CO+2 18. .30 25, .32 16. .37 24. .39

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33 33 33 33 33 33 33 EC EC EC EC EC EC EC EC EC EC EC cn cn cn cn CO CO cn m O CO cn CO CO cn m 33 33 33 33 33 33 33 33

63 63 63 63 63 63 63 LS LS LS LS LS ES LS LS ts ts ES TJ TJ TJ TJ TJ J TJ TJ 3 3 3 3 3 3 3 3 TJ TJ TJ TJ J J TJ J

Ω 3 Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω 3 O Ω 3 O Ω Ω Ω 3 O Ω Ω Ω Ω 3 Ω Ω

IS ES α 63 03 > ts ES ES σ CJ 63 03 > O 63 03 > co M CO D D J 63 IS IS CJ ES M CO M to M ω EC ts CO J CO M M Ul

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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 O O O M o M M Ul to lb oo on CO lb oo CO eo o o o oo OJ oo M M M M on lb lb 00 eo M o o CO eo M o o M

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170 ARG NHl 17..45 13..45 -1..69 40.,21

170 ARG NH2 16. ,18 12. .76 0. .09 39. .23

170 ARG C 22. ,76 17. .99 1. .12 38. ,94

170 ARG 0 23. .80 17. .62 1. .66 38. .15

171 GLU N 22. .73 18. .94 0. ,19 39. .52

171 GLU CA 23. .95 19. .61 -0. .23 39. .17

171 GLU CB 23. .68 20. .52 -1. .44 39. .32

171 GLU CG 24. .87 21. .40 -1. .78 40. .28

171 GLU CD 24. .71 22. .20 -3. .07 41. .19

171 GLU OEl 23. .56 22, .47 -3. .49 41. .99

171 GLU OE2 25. ,75 22. .57 -3. .65 41. .49

171 GLU C 24. .49 20. .43 0. .94 39. .41

171 GLU O 25. .70 20. .41 1. .22 38. .80

172 ALA N 23. .59 21. .13 1. .62 38. .98

172 ALA CA 23. .95 21. .95 2. .77 39. .44

172 ALA CB 22. .76 22. .81 3. .20 39. .67

172 ALA C 24. .41 21. .07 3, .94 40, .19

172 ALA O 25. .20 21. .51 4. .78 40, .12

173 ALA N 23, .92 19 .84 3. .97 39, .65

173 ALA CA 24, .26 18 .88 5 .02 39, .28

173 ALA CB 23. .25 17. .74 5, .04 38. .87

173 ALA C 25. .67 18. .31 4. .83 38, .56

173 ALA 0 26. .39 18. .10 5. .80 38, .92

174 GLU N 26. .06 18 .05 3. .59 38, .59

174 GLU CA ^' 27. .38 17 .51 3. .30 38. .32

174 GLU CB 27, .47 17 .12 1 .83 38. .36

174 GLU CG 28, .69 16 .28 1 .47 40. .28

174 GLU CD 28, .88 15 .09 2 .41 41 .10

174 GLU OEl 27, .86 14 .51 2 .87 41 .19

174 GLU OE2 30 .05 14 .74 2 .68 41 .54

174 GLU C 28, .43 18 .57 3. .64 37. .31

174 GLU O 29, .52 18 .25 4 .10 37. .36

175 ALA N 28, .09 19 .83 3 .39 36 .90

175 ALA CA 28, .99 20 .93 3 .70 38 .08

175 ALA CB 28 .39 22 .25 3 .23 37 .15

175 ALA C 29 .19 20 .96 5 .22 38 .32

175 ALA O 30 .32 21 .07 5 .71 37 .84

176 HIS N 28 .09 20 .82 5 .96 37 .30

176 HIS CA 28 .09 20 .82 7 .42 37 .89

176 HIS CB 26 .65 20 .73 7 .94 37 .27

176 HIS CG 26 .48 21 .22 9 .35 37 .73

176 HIS CD2 26 .00 22 .39 9 .83 37 .17 M M M M M M M M M M M M M M M M M M M M M M M M M M

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Ul OJ OJ 00 00 00 00 OJ 00 00 OJ OO 00 00 00 Ul OJ OJ Ul lb lb Ul lb 00 00 OJ 00 00 UJ Ul 00 00 00 00 00 00 00 00 00 00 00 00 VO lb lb Ul on lb en 01 00 ^1 00 ^1 ^3 1 00 00 ^J 0 O vo 0 00 co 00 00 ^1 ui 01 01 01 0 en ^1 J -0 CO -0 0 -0

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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33 33 33 33 33 β ι ι9 ι9 ^p. ^p. β P P P P P P P 33 33 33 33 33 33 33 33 33 33 33 33 cn cn co cn cn cn cn cn co Ω

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> 63 03 > CJ ts ES O 63 03 > O 63 63 ω EC IS ts ts CJ ts ES J 63 03 M M to CO Ul ro M M 00 to to

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Ul o OJ lb lb lb lb lb lb Ul Ul 00 OJ OJ J 00 00 00 00 00 00 00 OJ 00 00 00 OJ OJ lb lb lb lb lb lb lb lb lb lb lb lb lb lb

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196 ILE CA 38..06 29.,23 15.,92 36.40

196 ILE CB 37. .48 28. ,67 17. ,23 36. .77

196 ILE CG2 36. .56 27. ,50 16. .93 35. .81

196 ILE CGI 38. .60 28. .21 18. .16 37. ,21

196 ILE CDI 38. .10 27. .74 19. .52 36. ,66

196 ILE C 36. .89 29. .50 14. .97 35. .73

196 ILE 0 36. .67 28. .76 14. .03 35. .14

197 CYS N 36. .14 30. .57 15. .22 35. .59

197 CYS CA 35. .00 30. .89 14. .37 36. .51

197 CYS CB 34. .16 31. .99 15. .02 36. .17

197 CYS SG 33. .22 31. .46 16. .48 35. .03

197 CYS C 35. .38 31. .29 12. .95 36. .79

197 CYS 0 34. ,70 30. .92 12. .00 35. ,80

198 GLU N 36. .46 32. .05 12. .81 37. .20

198 GLU CA 36. .90 32, .49 11, .49 37. .02

198 GLU CB 37. .97 33, .57 11, .62 38. .36

198 GLU CG 37. .39 34, .97 11. .84 39. .98

198 GLU CD 38. .45 36, .02 12. .08 40. .56

198 GLU OEl 39, .61 35, .82 11. .64 41. .76

198 GLU OE2 38, .13 37 .05 12. .71 41, .70

198 GLU C 37. .43 _t 31, .34 10, .63 37. .25

198 GLU 0 37. .32 31, .37 9, .40 36. .57

199 LYS N 38. .01 30, .34 11, .28 37. .70

199 LYS CA 38. .55 29, .18 10, .58 36. .86

199 LYS CB 39, .52 28, .45 11, .50 37, .16

199 LYS CG 40, .46 27 .45 10, .83 36, .58

199 LYS CD 41. .51 26 .99 11 .83 38, .45

199 LYS CE 42, .40 25 .90 11 .26 38, .32

199 LYS NZ 43, .01 26 .34 9 .96 39, .89

199 LYS C 37, .41 28 .26 10 .15 36 .58

199 LYS 0 37, .47 27 .62 9, .10 36, .47

200 LEU N 36, .36 28 .18 10 .97 36, .91

200 LEU CA 35, .23 27 .33 10 .64 36, .64

200 LEU CB 34, .35 27 .14 11 .88 36 .12

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200 LEU CDI 32 .71 25 .82 13 .19 36 .86

200 LEU CD2 31 .99 26 .88 11 .03 36 .79

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257 SER OG 18..73 27..53 -3,.76 41..45

257 SER C 17. .52 28. .62 -0. .38 38. .44

257 SER 0 16. .32 28. .34 -0. .49 38. .58

258 GLY N 18. .06 28. .99 0. .78 39. .06

258 GLY CA 17, .22 29. .11 1, .96 38. .12

258 GLY C 16, .87 27. .82 2. .67 37. .46

258 GLY 0 16, .17 27. .85 3. .68 37. .87

259 ARG N 17, .31 26. .69 2. .13 38, .39

259 ARG CA 17, .05 25. .40 2. .77 37, .75

259 ARG CB 17, .17 24. .27 1. .74 37, .77

259 ARG CG 16, .32 24. .51 0. .49 38. .07

259 ARG CD 14. .88 24. .72 0. .88 37. .13

259 ARG NE 14. .07 25. .21 -0. .22 38. .77

259 ARG CZ 12. .79 25. .56 -0, .10 38. .96

259 ARG NHl 12. .19 25. .47 1, .07 39. .24

259 ARG NH2 12. .11 25. .98 -1, .16 39, .37

259 ARG C 18, .13 25. .28 3. .83 37. .70

259 ARG 0 19, .27 24, .90 3. .54 38, .33

260 ILE N 17, .76 25, .63 5. .06 38, .31

260 ILE CA 18, .68 25. .65 6. .19 37, .55

260 ILE CB 18, .16 26, .66 7. .25 37, .22

260 ILE CG2 19. .09 26, .67 8. .45 36, .87

260 ILE CGI 18 .04 28, .06 6 .62 36, .27

260 ILE CDI 17 .28 29, .07 7 .50 36, .39

260 ILE C 18 .98 24, .34 6 .93 37, .27

260 ILE 0 18 .07 23, .57 7 .26 37, .22

261 ILE N 20 .26 24, .11 7 .21 37, .08

261 ILE CA 20 .72 22, .95 7 .98 35, .82

261 ILE CB 21 .89 22 .20 7 .25 35, .54

261 ILE CG2 22 .54 21 .18 8 .19 35 .14

261 ILE CGI 21 .38 21 .48 5 .99 35 .76

261 ILE CDI 20 .37 20 .36 6 .27 36 .10

261 ILE C 21 .25 23 .51 9 .33 36 .90

261 ILE 0 22 .29 24 .18 9 .37 35 .67

262 ASP N 20 .49 23 .27 10 .40 34 .58

262 ASP CA 20 .84 23 .71 11 .76 37 .00

262 ASP CB 19 .61 24 .32 12 .46 36 .50

262 ASP CG 19 .89 24 .80 13 .88 36 .40

262 ASP ODl 21 .07 24 .84 14 .34 36 .68

262 ASP 0D2 18 .89 25 .17 14 .55 36 .11

262 ASP C 21 .31 22 .45 12 .49 36 .36

262 ASP 0 20 .52 21 .55 12 .78 34, .71 to to to CO CO to eo CO CO co eo eo to eo to to to CO CO eo eo t to to CO to to to t to CO IO to to to CO CO ro CO CO ro t

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Ki Ki Ki l> > > > > > > P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P

33 33 33 33 33 P P P P P P P G G G G G G G G G Ki Ki Ki G G G G G G G G G G G G G G G G G

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CO M to CO eo M ro M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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366 PHE CEl 19..14 24..09 22,.91 36..42

366 PHE CE2 21. .42 24. .73 23, .36 36. .61

366 PHE CZ 20. .30 24. .77 22, .53 37. .10

366 PHE C 20. .25 20. .52 27, .56 37. .68

366 PHE 0 19. .19 20, .48 28, .20 36. .53

367 GLY N 21. .41 20, .07 28, .03 37. .37

367 GLY CA 21. .52 19, .51 29, .36 38. .02

367 GLY C 22. .28 20, .48 30. .25 39. .04

367 GLY 0 23. .19 21, .18 29. .78 37. .16

368 SER N 21. .91 20. .55 31, .53 38. .26

368 SER CA 22. .57 21, .48 32. .44 38. .06

368 SER CB 21. .87 22, .84 32. .38 38, .09

368 SER OG 22. .35 23. .71 33, .38 37. .88

368 SER C 22. .67 21. .04 33. .90 38. .64

368 SER 0 21. .75 20, .41 34. .44 38. .29

369 THR N 23, .79 21, .37 34. .54 38, .88

369 THR CA 24, .04 21, .05 35 .94 38, .67

369 THR CB 25, .54 20, .80 36 .23 37. .93

369 THR OGl 26, .27 22, .02 36 .02 37. .71

369 THR CG2 26. .11 19, .71 35 .33 37, .80

369 THR C 23, .61 22, .23 36 .80 38, .84

369 THR 0 23 , .80 22, .23 38 .02 38. .60

370 GLY N 23, .02 23, .24 36 .17 39. .90

370 GLY CA 22, .58 24, .41 36 .91 40, .45

370 GLY C 21, .11 24, .38 37 .27 41. .61

370 GLY 0 20. .61 23, .37 37 .79 40. .78

371 LYS N 20. .41 25, .47 36 .99 41, .38

371 LYS CA 18, .98 25, .57 37 .30 42. .36

371 LYS CB 18, .61 27, .05 37 .51 42, .39

371 LYS CG 19, .16 27, .66 38 .80 43 , .68

371 LYS CD 18, .31 27, .32 40 .01 44, .12

371 LYS CE 16, .89 27, .89 39 .86 45, .41

371 LYS NZ 15, .96 27, .45 40 .96 46, .46

371 LYS C 18, .11 24, .96 36 .20 42. .53

371 LYS 0 16, .98 24, .54 36 .45 42. .76

372 GLY N 18, .63 24, .91 34 .98 42. .87

372 GLY CA 17, .86 24, .35 33 .89 43. .13

372 GLY C 17, .06 25, .44 33 .21 43. .58

372 GLY 0 16, .05 25 .17 32 .55 43. .67

373 VAL N 17, .50 26 .68 33 .40 44. .28

373 VAL CA 16, .84 27, .83 32 .80 44. .56

373 VAL CB 15, .92 28, .55 33 .80 44. .89 ~o ! »o ! ! on on on on on on on on on on

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lb lb lb lb lb ib lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

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03 > EC EC IS CJ O 63 03 > CJ CJ 63 03 > EC tS IS tS O CS ES CJ Ω ro eo ts O 63 03 > M CO M CO M tO Ul tO M M Ul tO CO

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428 TYR OH 30..22 45..45 13..86 42..84

428 TYR C 26. .16 50, .48 13. .96 40. .32

428 TYR 0 24. .99 50, .13 13. .85 40. .49

429 LEU N 26. .80 50, .52 15. .12 40. .18

429 LEU CA 26. .13 50, .12 16. .34 40. .02

429 LEU CB 27. .10 50, .18 17. .52 40. .59

429 LEU CG 28. .19 49, .11 17. .50 41. .22

429 LEU CDI 29, .14 49, .29 18. .68 41. .28

429 LEU CD2 27. .54 47, .73 17, .55 41. .52

429 LEU C 24. .88 50, .93 16, .65 40. .73

429 LEU 0 23. .87 50. .37 17. .08 39. .54

430 MET N 24. .93 52. .24 16. .44 39. .81

430 MET CA 23. .76 53. .07 16. .72 40. .26

430 MET CB 24. .12 54, .55 16. .74 41, .46

430 MET CG 23. .06 55, .45 17. .36 42. .48

430 MET SD 22. .49 54. .86 18. .97 45. .14

430 MET CE 23. .91 55, .28 20. .06 45, .23

430 MET C 22. .68 52. .79 15, .68 39, .73

430 MET 0 21. .49 52. .77 15, .99 38, .61

431 ALA N 23. .11 52. .54 14, .44 38, .47

431 ALA CA 22. .18 52. .23 13, .37 39, .10

431 ALA CB 22. .91 52 .17 12, .03 38, .23

431 ALA C 21, .51 50 .88 13, .67 38, .85

431 ALA 0 20, .30 50 .72 13, .51 38, .32

432 LEU N 22, .32 49 .92 14, .12 37. .06

432 LEU CA 21, .81 48 .60 14. .45 37, .96

432 LEU CB 22, .96 47 .67 14, .82 36, .51

432 LEU CG 22, .63 46 .21 15 .15 36, .81

432 LEU CDI 21, .81 45 .58 14, .04 36, .59

432 LEU CD2 23, .93 45 .45 15 .34 36, .89

432 LEU C 20, .80 48 .67 15 .60 38, .37

432 LEU 0 19, .80 47 .95 15 .61 38 .07

433 LYS N 21, .08 49 .53 16 .57 38, .01

433 LYS CA 20, .19 49 .70 17 .71 38 .17

433 LYS CB 20, .82 50 .63 18 .75 38 .04

433 LYS CG 19. .94 50 .90 19 .98 38 .69

433 LYS CD 20 .72 51 .64 21 .06 39 .86

433 LYS CE 19 .82 52 .21 22 .15 40 .86

433 LYS NZ 19 .11 51 .16 22 .94 41 .61

433 LYS C 18 .86 50 .27 17 .24 38 .05

433 LYS 0 17 .80 49 .84 17 .69 37 .40

434 ASN N 18. .92 51 .23 16, .33 39, .00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb lb lb lb lb lb OJ OJ OJ OJ Ul Ul UJ UJ Ul Ul Ul Ul Ul Ul UJ l UJ Ul Ul Ul Ul 00 oo 00 Ul Ui Ul J 00 oo OJ 00 00 OJ OJ OJ OJ Ul J OJ OJ

O VD VD VD VD 00 oo 00 00 00 00 oo oo ^1 ^J ^1 ] ! -J ^1 ^1 cn cn Ol 01 01 o ui on on on Ul on on ui lb lb lb lb lb lb lb

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2 o Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 O Ω O O Ω Ω Ω 2 o Ω (Λ Ω Ω 2 O Ω Ω Ω Ω Ω Ω ω 2 O Ω 2 O O Ω Ω

> C3 CJ Ω 03 Ω 03 > CJ C3 Ω 03 D Cl Ω 03 to M > σ CJ Ω to to > M M to M

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M M M M M M M M M M M M M M to to to M M M M M M M M M M M M M M M M M M M M M M M M OJ OJ lb U Ul lb on 00 ro OJ OJ on on 00 ^1 o o o 00 co 1 ^1 ^ 01 on lb lb o O M t OJ lb ui Ul lb cn on lb Ul lb VO to ui 01 to Ol 01 oo VO 00 to o ui o vo o oo lb oo lb to 00 1 0J cn on on en Ul OJ M on Ol lb ^3 lb O Ul Ol o o OJ on to Ol oo en vo Ol lb lb vo VO to t 00 lb to vo OJ vo to 00 03 o to to M on OJ vo ro o cn vo

OJ OO 00 OJ O lb oo lb lb J Ul J lb lb 00 lb lb lb lb OO oo J 00 00 00 OJ UJ Ul oo oo 00 00 oo J Ul OJ OJ J J OJ OJ OJ ^3 ^3 CO vo O vo O o vo vo vo o o vo to 00 M o VO 00 ^1 00 vo o oo co _^3 CO cn on ^J oo co 00 00 CO CO 00 co oo lb lb ^1 CO Ol ^1 lb o ^3 lb ^1 o lb vo co o oo lb ^1 oo oo ^1 ^1 to vo o ^1 01 0J cn M 01 ^J 00 00 CO vo on cn Ul ro o M oo on CO 00 to Ol OJ M ^1 lb lb lb cn o to lb VD M 00 1 VD lb M CO oo lb oo t on OJ vo J t ^1 lb M

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on lb lb lb lb lb lb lb lb lb lb lb lb OJ OJ J OJ 00 Ul Ul CO eo to to CO to CO to M M M M M M M O O O O O O O

TJ ^►9 H H ι9 ι9 H H ι ι9 19 19 19 TJ J J TJ TJ TJ TJ > > > < < < < < < < H H H H H M H

33 ; j Ki i Ki Ki Ki Ki Ki Ki 33 3J 33 33 33 33 33 cn rn rn cn rn cn CO in > > > > > P P P P P P P

O 33 33 33 33 33 33 33 33 33 33 33 33 O O O O O O O TJ TJ T) TJ TJ TJ TJ TJ P P P P P P P LS ES IS ES ES LS ES

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•j CO CO Ol o co ^1 o cn M to oi σi to on 00 CO t 00 on VD 1 OJ CO cn vo to on lb M oo on o ! ! cn 00 o o lb M ]

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P P P P P P P tn cn cn cn cn cn cn cn Ki Ki Ki Ki Ki t rs rs rs rs rs rs rs 33 33 33 33 33 33 33 33 33 33 33 33 33

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00 M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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O o o M 00 oo ^3 ^1 cn on CO 00 M M M O o vo O o M VD oo 00 vo o o O O to M o o O M O O o o O M M oo Ul oo ] lb o 00 M o o 00 Ul 00 ] Ul 00 to CO VD o o lb vo oo 01 to CO -J VD on lb vo VD O lb lb ^J lb VD 01 M CO on U lb Ul lb lb to OO cn -o 00 M O OJ 0J to 00 ^1 -o lb to -J M co to ! 00 00 M M lb on M O oo to ] Ol 00 Ul cn

477 ASP ODl 28..95 13..45 12..69 39..56

477 ASP OD2 30. .69 14. .75 12. .44 40. .40

477 ASP C 29. .28 11. ,43 15. .06 40. .34

477 ASP O 29. ,46 10. .89 16. .15 41. .04

478 TYR N 28. ,15 12. .05 14. .74 38. .90

478 TYR CA 27. .02 12. .08 15. .67 38. .72

478 TYR CB 27. .17 13. .22 16. .70 37. .39

478 TYR CG 27. .15 14. .63 16. .14 37. .21

478 TYR CDI 28. .28 15. .19 15. .52 36. .68

478 TYR CEl 28. .24 16. .47 14. .95 36. .00

478 TYR CD2 25. .98 15. .40 16. .18 37. .07

478 TYR CE2 25. .93 16, .68 15, .61 35, .94

478 TYR CZ 27. .06 17, .20 15. .00 36, .04

478 TYR OH 27. .00 18, .46 14, .43 34. .34

478 TYR C 25. .75 12, .26 14, .85 38. .51

478 TYR O 25. .88 12, .71 13, .69 38, .58

478 TYR OT 24, .65 11 .94 15 .36 38. .90

602 HOH O 27, .60 37 .28 22 .28 34. .09

603 HOH O 28, .57 29, .76 10, .71 29. .10

604 HOH O 29, .95 38, .94 16, .07 34. .01

605 HOH O 24, .69 30, .34 17, .09 39. .38

606 HOH O 26, .68 27 .86 20, .74 30. .66

607 HOH O 23, .59 34 .62 7 .25 37. .78

608 HOH O 40 .83 18 .80 18 .14 38. .29

609 HOH O 14 .06 19 .64 20 .43 40, .41

610 HOH O 36 .87 20 .43 28 .79 32, .28

611 HOH O 22 .11 56 .26 3 .15 38, .21

612 HOH 0 43 .22 25 .77 29 .88 35, .00

613 HOH 0 24 .52 7 .95 34 .74 38 .09

614 HOH 0 30 .09 31 .82 25 .91 32 .26

615 HOH 0 16 .55 32 .83 9 .54 35 .42

616 HOH 0 13 .82 35 .48 10 .02 46 .10

617 HOH 0 23 .91 49 .44 0 .00 19 .79

618 HOH 0 30 .55 27 .50 34 .41 38, .08

619 HOH 0 24 .29 26 .53 21 .17 30, .33

620 HOH 0 21 .17 40 .28 -2 .65 35 .51

621 HOH 0 29 .84 38 .48 22 .07 32 .54

622 HOH 0 34 .96 25 .56 32 .98 43 .08

623 HOH 0 37 .26 30 .32 28 .10 31 .75

624 HOH 0 40 .94 25 .20 31 .91 36 .01

625 HOH 0 19 .49 56 .35 18 .12 39 .16

626 HOH 0 12 .85 25 .22 3 .91 37 .14 627 HOH O 20..19 27..09 19..65 40..28

628 HOH O 23. .08 46. .79 20. .47 47. .25

629 HOH O 31. .07 14. .70 9. .78 43. .50

630 HOH O 17. .85 8. .90 16. .81 43. .12

631 HOH O 5. .98 0. .00 0. .00 19. .79

632 HOH O 45. .03 23. .42 16, .96 40. .26

633 HOH O 24. .62 10, .74 17. .83 42. .51

634 HOH O 29. .48 39, .00 5, .95 31. .91

635 HOH O 28. .43 28, .13 8, .64 36. .61

636 HOH O 23. .89 33 , .33 2, .40 39. .14

637 HOH O 27. .71 22. .85 38. .11 38. .98

638 HOH O 13. .79 37. .92 14. .38 37. .93

639 HOH O 37. .99 17. .04 20. .98 43. .75

640 HOH O 36. .90 13. .66 25. .36 49. .49

641 HOH O 10. .89 23. .91 5. .72 44. .66

642 HOH O 25. .88 12. .85 45. .89 43. .39

643 HOH O 33. .88 16. .49 23. .44 44. .02

644 HOH O 19. .47 30. .92 34. .87 47. .10

645 HOH O 6. .00 18. .65 26. .27 44. .99

646 HOH O 31. .75 15. .32 19, .13 45. .14

647 HOH O 34. .17 27, .97 -2, .97 53. .48

648 HOH 0 4. .39 17, .33 1, .23 44. .66

649 HOH 0 28. .02 11, .59 3, .02 47, .00

650 HOH 0 28. .92 23, .45 -3, .03 44, .05

651 HOH 0 41. .14 38. .72 19, .84 41. .86

652 HOH 0 2, .85 10. .09 5, .39 45, .13

653 HOH 0 29. .72 13. .38 5, .13 45, .72

654 HOH 0 18. .57 59. .28 3, .03 48, .43

655 HOH 0 6. .61 4. .05 2 .69 48, .83

656 HOH 0 36, .78 38. .42 27, .62 43, .14

657 HOH 0 28, .29 51 .33 8 .93 47, .91

658 HOH 0 0, .29 5 .97 5 .40 45, .01

659 HOH 0 13, .48 32 .67 12 .05 42, .33

660 HOH 0 19. .94 13 .86 -3 .19 47, .68

661 HOH 0 27. .98 54 .17 9 .56 46, .21

662 HOH 0 35. .84 41 .57 12 .94 44, .80

663 HOH 0 9. .80 28 .43 15 .75 37, .08

664 HOH 0 16, .40 36 .10 24 .48 43, .28

665 HOH 0 25, .40 53 .83 13 .33 39, .40

666 HOH 0 11, .40 53 .37 0 .60 47, .29

667 HOH 0 30 .81 32 .47 28 .83 41, .32

668 HOH 0 -4. .12 16 .16 22, .32 47. .10 669 HOH O 24..81 24..86 41..79 57..78

670 HOH O 30. .25 30. .37 35. .16 47. .36

671 HOH O 17. .51 8. .17 14. .30 49. .15

672 HOH 0 44. .71 18. .93 24, .61 46. .95

673 HOH 0 40. .85 16. .64 21. .02 50. .91

674 HOH 0 39. .66 27. .30 7. .31 43, .85

675 HOH 0 24. .62 56. .30 2. .66 40, .81

676 HOH 0 30, .81 11. .23 25. .86 44, .95

677 HOH 0 40. .12 26. .00 3. .76 50, .86

678 HOH 0 43. .42 37. .03 23 .53 45, .73

679 HOH 0 22. .17 28. .18 -5. .05 46. .45

680 HOH 0 42. .11 36. .26 17. .31 44. .50

681 HOH 0 35. .20 40. .28 10, .94 38. .44

682 HOH 0 35. .72 29. .35 33, .02 49. .96

683 HOH 0 29. .74 11. .62 35, .66 45. .82

684 HOH 0 34. .22 47. .68 12, .07 41. .07

685 HOH 0 12. .96 56. .09 11, .49 52. .54

686 HOH 0 8. .74 22. .29 3, .06 50, .61

687 HOH 0 9. .24 27. .79 4, .15 40. .98

688 HOH 0 30. .16 12. .34 9 .02 50. .86

689 HOH 0 8. .19 23. .48 5, .15 46. .25

690 HOH 0 22. .39 13, .68 41 .56 46, .82

691 HOH 0 16. .17 54, .66 18 .21 45, .70

692 HOH 0 7, .83 5, .18 7 .08 44, .18

693 HOH 0 38. .87 17, .12 7 .59 46, .91

694 HOH 0 13. .64 29, .45 22 .62 50, .46

695 HOH 0 1. .88 -1, .14 -0 .89 48, .18

696 HOH 0 21. .16 19, .77 38 .20 51, .08

697 HOH 0 39. .95 34, .07 28 .06 43, .35

698 HOH 0 17. .47 17, .40 38 .21 51, .71

699 HOH 0 36. .71 13 .18 1 .69 50, .49

700 HOH 0 8. .40 23 .60 8 .69 45 .96

701 HOH 0 25. .57 24 .22 -5 .63 54 .87

702 HOH 0 18. .55 39 .28 9 .04 34 .12

703 HOH 0 24 .25 37 .22 21 .00 37 .85

704 HOH 0 15 .00 26 .14 5 .23 37 .29

705 HOH 0 32 .08 39 .21 22 .31 33 .99

706 HOH 0 32 .42 42 .75 15 .77 36 .44

707 HOH 0 27 .39 53 .75 16 .50 37 .87

708 HOH 0 38 .03 35 .50 21 .05 37 .46

709 HOH 0 11 .64 22 .91 26 .49 41 .04

710 HOH 0 31. .85 17 .38 -14 .08 42, .08 711 HOH O 44.,74 23..24 10..32 45..88

712 HOH O 13. .90 57. .88 8. .79 42. .18

713 HOH O 33. .19 27. .10 34. .12 43. .66

714 HOH O 26. .64 33. .87 3. .81 39. .88

715 HOH O 35. .57 15. .75 37. .91 45. .89

716 HOH O 23. .39 35. .41 4. .40 39. .92

717 HOH O 38. .51 41. .58 16. .53 42. .90

718 HOH O 13. .42 3. .70 4. .54 46. .60

719 HOH O 33. .58 30. .92 30. .71 44. .23

720 HOH O 5. .01 2, .52 8. .10 45. .28

721 HOH 0 29. .07 36. .29 6. .09 39. .73

722 HOH 0 43. .48 25. .29 32. .23 46. .21

723 HOH 0 8. .99 47. .42 18. .82 44. .37

724 HOH 0 12. .52 36. .53 12. .02 46. .05

725 HOH 0 38. .41 35. .34 8. .23 45. .83

726 HOH 0 32. .78 49. .91 13. .89 46. .82

727 HOH 0 25. .73 45. .09 0. .65 46. .48

728 HOH 0 11. .29 35. .27 25. .21 45. .17

729 HOH 0 29, .80 37. .15 2, .43 42, .56

730 HOH 0 44, .70 16. .14 17. .63 45. .67

731 HOH 0 17, .56 12. .31 -5. .19 47. .09

732 HOH 0 4. .99 1 .31 4. .78 47, .87

733 HOH 0 39, .92 27 .75 33. .18 39, .17

734 HOH 0 43, .04 28 .36 33. .25 49, .17

735 HOH 0 4, .49 4 .88 4. .34 47. .01

736 HOH 0 33, .94 34 .85 28. .39 43. .82

737 HOH 0 14, .03 10 .12 34 .01 48. .19

738 HOH 0 32, .69 22 .13 39 .29 46. .51

739 HOH 0 24 .47 8 .38 8 .20 42. .02

740 HOH 0 18 .01 28 .88 19 .53 45 .44

741 HOH 0 8, .61 23 .29 37 .27 45 .46

742 HOH 0 37 .48 10 .61 27 .22 47 .72

743 HOH 0 36 .72 46 .79 18 .92 47 .89

744 HOH 0 24 .93 -1 .97 6 .43 45 .32

745 HOH 0 1. .43 3 .11 6 .24 47 .99

746 HOH 0 16 .84 46 .92 0 .74 43 .79

747 HOH 0 16 .59 33 .23 34 .43 47 .91

748 HOH 0 28 .59 35 .84 -2 .22 45 .61

749 HOH 0 11 .79 8 .77 26 .73 47 .04

750 HOH 0 36 .01 45 .87 2 .60 44 .29

751 HOH 0 6 .38 7 .99 25 .00 46 .23

752 HOH 0 42 .06 51 .16 19 .21 44 .63 753 HOH O 39..89 39.,04 13.,16 43.,84

754 HOH O -2. .44 11. .57 17. .90 45. ,01

755 HOH O 15. .56 36. .06 1. .11 46. .41

756 HOH O 39. .30 0. .68 5. .14 43. .79

757 HOH O 24. .98 44. .22 23. .36 42. .76

758 HOH O 34. .43 9. .47 32. .23 47. .42

759 HOH O 17, .67 6. .26 29. .64 45. .52

760 HOH O 18, .99 5. .11 6. .59 48. .90

761 HOH O 36, .67 17. .26 18. .82 42. .67

762 HOH O 14, .06 55. .96 16. .87 45. .66

763 HOH O 37, .32 43. .91 12. .74 49. .13

764 HOH O 44. .69 28. .42 11. .50 48. .41

765 HOH O 17, .62 57. .27 20. .35 46. .27

766 HOH O 4, .63 42. .10 5. .09 45. .82

767 HOH O 18, .98 41. .83 23. .85 43. .89

768 HOH O 22. .01 7. .74 21. .31 47. .40

769 HOH O 38. .21 44. .73 5. .71 43. .69

770 HOH O 6, .10 26, .30 11. .57 45. .24

771 HOH O 14 .28 54 .64 -0. .80 46. .18

772 HOH 0 44 .97 20 .62 16. .71 42. .80

773 HOH 0 14 .47 21 .44 33. .73 46. .00

774 HOH 0 17 .35 24 .06 41. .28 51, .09

775 HOH 0 37 .54 40 .17 25. .99 42, .81

776 HOH 0 24 .43 32 .98 38. .48 43, .57

777 HOH 0 29 .14 38 .15 32. .84 46. .35

778 HOH 0 11 .78 53 .22 23. .27 44. .76

779 HOH 0 41 .84 36 .23 27, .80 46. .61

780 HOH 0 32 .42 12 .37 34, .71 46. .47

781 HOH 0 1 .28 4 .93 16, .48 50. .01

782 HOH 0 33 .94 42 .50 29, .48 46. .17

783 HOH 0 43 .70 11 .93 8, .94 43. .06

784 HOH 0 51 .15 36 .16 14, .17 48. .17

785 HOH 0 15 .40 9 .19 37, .13 50. .05

786 HOH 0 42 .65 21 .64 -8 .67 42, .80

787 HOH 0 36 .78 43 .16 24 .32 50, .22

788 HOH 0 42 .72 14 .75 29 .10 42, .50

789 HOH 0 7 .56 29 .64 7 .41 47, .85

790 HOH 0 14 .41 6 .62 29 .93 46. .83

791 HOH 0 13 .15 49 .45 21 .47 44. .43

792 HOH 0 -0 .50 37 .60 20 .68 46. .69

793 HOH 0 33 .59 21 .62 43 .02 45. .95

794 HOH 0 0 .63 15 .59 8 .29 47. .31 795 HOH 0 36..11 49..44 0..00 16..71

796 HOH O 0. .18 41. .86 3. .51 45. .95

797 HOH O 38. .08 23. .14 -6. .79 49, .93

798 HOH 0 6. .01 13. .26 -8. .69 43. .63

799 HOH O 36. .59 11. .19 39. .92 45, .80

800 HOH 0 21. .07 21. .07 -4. .50 47, .75

801 HOH O 39. .41 14. .53 35. .10 46, .72

802 HOH O 4. .60 17. .83 -2. .98 46, .84

803 HOH O 9. .14 26. .02 0, .79 47, .57

804 HOH O 40. .75 43. .56 22. .30 46. .68

805 HOH O 15. .19 5. .61 14. .94 46, .52

806 HOH O 15. .11 43. .77 22, .91 46, .40

807 HOH O 14. .43 32. .73 25, .84 47, .86

808 HOH O 13. .18 33. .55 15, .69 43, .14

809 HOH O 2. .31 24. .81 27, .95 45, .64

810 HOH O 27. .98 10. .93 -7, .97 47, .23

811 HOH O 44. .06 24. .59 0, .78 46, .09

812 HOH O -1, .37 2. .63 14, .32 46, .14

813 HOH O 16, .66 51, .34 3. .64 43, .17

814 HOH O 24, .19 8, .06 -5, .01 48, .44

815 HOH O 11. .29 6, .65 13, .80 47, .58

816 HOH O 0. .04 32, .16 18, .22 46, .71

817 HOH O 34, .13 30, .39 -2 .30 45, .61

818 HOH O 37, .45 22, .87 38 .85 45, .23

819 HOH O 24, .26 33, .64 -9 .07 45, .03

820 HOH O 6, .60 8, .81 -8 .40 45, .56

821 HOH O 11, .10 35, .36 0 .13 44, .97

822 HOH O 23, .47 4, .12 24 .55 46, .57

823 HOH O 2, .75 53, .32 1 .83 45, .31

824 HOH O 29, .13 33, .61 31 .16 48, .24 825 HOH O 10. .22 40, .76 20 .25 49, .51 826 HOH O 40, .24 34, .05 4 .66 43, .83 827 HOH O 42, .35 30, .51 -1 .88 45, .27

828 HOH O 6, .19 40, .87 21 .82 45, .66 829 HOH O 15. .05 36, .38 -1 .87 47, .97

830 HOH O 44, .70 30, .32 13 .65 46, .71

831 HOH O 26, .83 6, .35 -13 .33 49, .17

832 HOH O 19, .93 2 .42 14 .69 48 .56

833 HOH O 16, .44 36 .95 30 .46 42, .52

834 HOH O 29, .26 52, .36 5 .66 44, .67

835 HOH O 16, .18 58. .63 2 .06 46, .16 836 HOH O 9. .54 43. .38 17 .52 46, .99 837 HOH O 16..02 6,.20 24..64 44..93

838 HOH O 37. .63 -1. .39 15. .53 44. .86

839 HOH O 31. .04 3. .39 7. .80 47. .53

840 HOH O 13. .83 2. .87 10. .17 47. .74

841 HOH O 31. .85 2. .47 4. .42 44. .05

842 HOH O 38. .45 17. .16 45. .99 45. .94

843 HOH O 5. .56 26, .44 -2. .76 47. .97

844 HOH O 33. .07 9, .20 38. .92 48. .51

845 HOH O 45. .52 19. .55 13. .12 44. .55

846 HOH O 5. .60 3 , .21 -9. .18 46. .91

847 HOH O 4, .62 26 .88 4. .23 46. .94

848 HOH O 10. .36 38 .66 17. .00 46. .25

849 HOH O 13, .67 56 .96 22. .87 44. .10

850 HOH O 43, .73 1 .88 7. .66 45, .82

851 HOH O 46, .09 32 .04 19. .73 46, .65

852 HOH O 3, .94 0 .59 10. .93 46, .41

853 HOH O 22, .83 22 .83 40 .52 44, .30

854 HOH O 36, .11 11 .47 12 .13 45, .42

855 HOH O 46, .31 12 .66 8 .46 44, .06

856 HOH O 41, .20 13 .06 18 .92 43, .80

857 HOH O 19 .65 21 .25 42 .39 47, .06

858 HOH O 17, .30 25 .29 -5 .67 44, .66

859 HOH O 24 .82 5 .44 -8 .30 46, .76

860 HOH 0 10, .40 4 .75 17 .75 49, .09

861 HOH 0 14, .04 54 .79 25 .90 47. .11

862 HOH 0 39, .23 50 .19 8 .23 46, .45

863 HOH 0 25, .00 7 .29 20 .22 43, .55

864 HOH 0 43, .34 11 .55 25 .25 51, .37

865 HOH 0 0, .69 46 .20 6 .49 47, .35

866 HOH 0 2, .71 14 .86 -6 .47 46, .46

867 HOH 0 43 .94 -0 .39 18 .76 47, .49

868 HOH 0 39, .84 -1 .39 2 .54 46, .36

869 HOH 0 39, .41 18 .85 36 .30 44, .85

870 HOH 0 2, .29 29 .70 28 .59 45, .67

871 HOH 0 7 .94 46 .19 22 .29 44, .14

872 HOH 0 2 .56 34 .70 4 .98 45. .91

873 HOH 0 5, .38 22 .78 23 .11 44. .79

874 HOH 0 23 .14 8 .65 -0 .71 46, .80

875 HOH 0 20 .06 -1 .15 10 .63 47, .58

876 HOH 0 8 .69 38 .42 28 .95 46, .93

877 HOH 0 38 .57 -5 .01 20 .02 46, .24

878 HOH 0 20 .89 10 .88 40 .54 45 .08 879 HOH O 5,.78 37..90 17..96 47..22

880 HOH O 20. .75 11. .69 -12. .28 44. .33

881 HOH O 38, .30 46. .05 21. .36 47. .75

882 HOH O 10. .80 28. .86 32. .66 46. .44

883 HOH O 29. .83 40. .20 28. .13 44. .71

884 HOH O 32, .86 31. .16 36. .44 46. .38

885 HOH O 3 , .75 2. .87 25, .67 45. .88

886 HOH O 48. .23 32. .97 16, .98 46. .95

887 HOH O -3, .07 18. .19 6, .78 46. .56

888 HOH O 44. .02 4. .58 19, .61 48. .73

889 HOH O 42. .89 35. .99 8, .02 44, .65

890 HOH O 6. .65 32. .44 34, .50 43. .57

891 HOH O 0. .00 34. .61 25, .31 16. .71

892 HOH O 43. .05 41. .12 13, .89 46, .53

893 HOH O 47, .20 18. .81 10, .20 45, .57

894 HOH O 23. .36 38, .60 -3, .05 48, .10

895 HOH O 26 .43 28, .43 -5, .24 46, .68

896 HOH O 16 .31 13, .47 41 .66 47, .47

897 HOH O 36 .14 24, .70 43 .62 47, .79

898 HOH O 32 .29 37. .70 26 .37 49, .71

899 HOH O 14 .97 37. .70 21 .03 48, .26

900 HOH O 8. .40 35 .14 29 .87 47. .62

901 HOH O 26 .71 8 .51 14 .56 41. .41

601 R26 Cl 19 .50 29. .04 16 .39 37. .71

601 R26 C2 19 .27 30 .52 16 .38 37. .75

601 R26 C3 20 .64 28 .24 16 .26 37. .27

601 R26 N4 18 .50 28 .10 16 .54 36. .61

601 R26 C5 20 .28 31 .52 16 .09 38. .67

601 R26 C6 17 .95 31 .00 16 .69 37 .35

601 R26 N7 20 .31 26 .91 16 .34 39 .26

601 R26 N8 18 .99 26 .84 16 .51 39 .11

601 R26 C9 19 .94 32 .91 16 .11 37 .72

601 R26 CL 21 .93 31 .21 15 .69 36 .40

601 R26 Cll 17 .64 32 .39 16 .70 39 .71

601 R26 C12 18 .64 33 .34 16 .41 36 .92

501 C02 CO+2 21 .38 25 .39 16 .08 15 .29

502 C02 CO+2 18 .24 25 .28 16 .35 17 .38 lb

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Ki Ki 3 3 3 3 3 3 3 3

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CJ Ω 03 > Ω 03 α ts ES CS J 03 o Ω Ω Ω Ω Ω D C Ω Cl Ω 03 eo > M to Ω > M t Ω 03

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Os O M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 I 1 1 1 1 1 1 1 I 1 1 1 1 1 M M 1 1 1 M M M

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

01 cn 01 01 01 Ol Ol Ol 01 on on on on on on on on Ul ui Ul Ul Ul Ul ui Ul ui Ul Ul ui Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul

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Ω Ω Ω Ω Ω Ω Ω Ω Ω > P P P P P >

P P cn > > > cn cn cn cn cn > >

C > l> P P P > > P P P P P P P P P P P P

P P P P P P P O cn rs ts rs ts rs ts rs rs P P P P P κ| Ki K; Ki Ki Ki Ki Kj Ki

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IS rs CJ 63 ω > O CJ 63 03 to > o O 63 co M ω > 03 > ts ES CJ 63 03 > t t M M

I

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1 1 1 1 1 1 1 1 I 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 I 1 1 1 1 1 1 1 1 1 1 1 1 1 1 01 01 01 00 Ol on lb 00 00 M o o M to to Ul Ul o CO M CO OJ lb on on cn cn lb lb lb 01 lb oo oo o CO M M M

00 M on lb oi vo Ol on lb oo Ui on o vo lb to 1 CO M OJ oo Ul lb 01 0J vo lb VD o vo lb to o M 03 CO cn M lb on cn -0 ^1 ^1 o CO 00 to o 00 o 00 lb 00 00 00 Ul M CO on to 00 cn CO eo t CO lb lb lb on to to oo VD O oo vo M M cn CO CO

00 00 00 CO CO CO CO 00 00 oo oo oo 00 00 00 00 00 00 00 00 00 00 00 CO CO co oo oo 00 oo 00 00 vo VD VO VD vo VD VD vo vo VD O o M M M M M M to to Ul lb lb lb lb Ul lb Ul Ul oi on Ul on on cn ^1 ^1 ~0 00 vo vo M M O o o O M co CO OJ o ^1 oo lb to o o lb Ul 00 oo lb o vo M o ^3 o CO on o oo OJ M 00 on oo o M o oo o 00 to O VD on Ol CO Ul 01 oo on 00 VD o to eo VD Ol oo vo lb o lb on vo on VD on

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

Ol O cn cn Ol Ol 01 Ol O Ol 01 01 Ol on O 01 σ O 01 01 Ol cn cn Ol σi cn 01 Ol 01 O O O cn O Ol Ol Ol Ol Ol Ol cn cn

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170 ARG CZ 17..34 13..72 -0..70 49..32

170 ARG NHl 17. .42 13. ,93 -2. ,00 48. ,97

170 ARG NH2 16. ,28 13. .09 -0. .19 49. ,10

170 ARG C 22. .84 18. ,40 0. .80 45. ,87

170 ARG 0 23. .86 17. .99 1. .36 44. .52

171 GLU N 22. .86 19. ,31 -0. .16 44. .92

171 GLU CA 24. .11 19. ,93 -0. .58 43. .93

171 GLU CB 23. .88 20. .82 -1. .80 43. .91

171 GLU CG 24. .94 21. .89 -1. .99 43. .08

171 GLU CD 24. .73 22. .72 -3. .25 44. .04

171 GLU OEl 23. .57 23. .05 -3. .57 43. .71

171 GLU OE2 25. .74 23. .05 -3. .90 43. .59

171 GLU C 24. .63 20. .77 0. .59 43. .26

171 GLU 0 25. .83 20. .76 0. .89 42. .24

172 ALA N 23. .72 21. .49 1, .24 41. .87

172 ALA CA 24. .09 22. .30 2, .39 41. .67

172 ALA CB 22. .87 23. .07 2, .90 41. .38

172 ALA C 24. .65 21. .40 3. .49 41. .76

172 ALA 0 25, .68 21, .70 4. .10 41. .36

173 ALA N 23, .98 20, .27 3, .72 41, .17

173 ALA CA 24, .41 19, .32 4, .76 41, .26

173 ALA CB 23, .40 18, .19 4. .90 40, .78

173 ALA C 25, .79 18, .73 4. .51 40, .77

173 ALA 0 26, .56 18, .54 5, .45 40, .73

174 GLU N 26, .11 18, .44 3. .26 40, .73

174 GLU CA 27, .42 17, .88 2 .93 40, .43

174 GLU CB 27. .49 17, .50 1 .45 41, .20

174 GLU CG 28. .75 16, .74 1 .02 41. .88

174 GLU CD 29 .01 15. .50 1 .85 42 .61

174 GLU OEl 28 .04 14 .87 2 .33 43 .19

174 GLU OE2 30 .20 15 .13 2 .02 43 .28

174 GLU C 28 .49 18 .92 3 .27 39 .57

174 GLU 0 29 .59 18 .59 3 .72 39 .22

175 ALA N 28 .14 20 .19 3 .06 38 .91

175 ALA CA 29 .05 21 .28 3 .37 38 .82

175 ALA CB 28 .45 22 .62 2 .93 38 .70

175 ALA C 29 .27 21 .26 4 .88 39 .02

175 ALA 0 30 .41 21 .25 5 .36 38 .01

176 HIS N 28 .16 21 .22 5 .62 38 .68

176 HIS CA 28 .18 21 .19 7 .07 39 .20

176 HIS CB 26 .75 21 .14 7 .61 39 .22

176 HIS CG 26 .64 21 .46 9 .07 40 .54 M M M M M M M M M M M M M M M M M M M M M M M M M M M

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M > Ω Ω t M > Ω Ω 03 CJ CJ Ω 03 CJ J CO M > to M > > o Cl Ω Ω 3 O to M

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00 to o o M M to lb ro vo o M to to CO oo lb 01 lb oo to M to lb 00 lb 00 CO to to to eo 00 to CO to to M vo o o o o M CO Ol ^1 vo o oo CO vo o Ul M oo -J CO on o o 01 UJ o on 00 lb -J 00 lb lb on Ul 00 o -J 00 CO 01 oo lb M M 00 to o o CO CO ι ^ on cn o vo M vo M on oo oo on CO lb vo 0J M o ] M 00 on VD M ^J vo M M oo ] to o Ul lb on lb

242 LEU N 39..92 29..88 24..25 33..14

242 LEU CA 39. .32 28, .57 24. .58 33. .92

242 LEU CB 39. .17 27, .72 23. .32 33. .33

242 LEU CG 38. .48 26, .36 23. .48 34. .52

242 LEU CDI 37. .06 26, .57 24. .03 33. .15

242 LEU CD2 38. .44 25, .62 22. .12 33. .60

242 LEU C 40. .24 27, .85 25. .56 35. .19

242 LEU 0 41. .44 27, .72 25. .31 35. .99

243 GLN N 39, .68 27, .38 26. .66 35. .68

243 GLN CA 40. .47 26, .69 27. .68 36. .22

243 GLN CB 40. .12 27. .23 29. .07 36. .57

243 GLN CG 40. .43 28. .71 29. .28 36. .58

243 GLN CD 41. .89 29. .05 29. .01 36. .96

243 GLN OEl 42. .79 28. .27 29. .34 37. .98

243 GLN NE2 42. .13 30, .20 28. .41 35. .15

243 GLN C 40. .25 25, .18 27. .67 35. .91

243 GLN 0 39. .25 24. .70 27. .14 35. .75

244 TYR N 41. .19 24. .45 28. .27 35. .74

244 TYR CA 41. .14 22, .99 28. .35 35. .32

244 TYR CB 42. .37 22, .47 29, .11 36. .08

244 TYR CG 42, .28 21, .01 29, .48 36. .95

244 TYR CDI 42. .33 20, .02 28, .51 37. .22

244 TYR CEl 42. .18 18, .68 28. .83 38. .42

244 TYR CD2 42, .08 20, .62 30. .81 37, .68

244 TYR CE2 41, .93 19, .29 31, .15 39, .31

244 TYR CZ 41, .98 18, .32 30, .16 39, .00

244 TYR OH 41, .81 17. .00 30, .48 40. .41

244 TYR C 39, .88 22. .44 29, .03 34. .48

244 TYR 0 39, .38 21. .36 28, .67 32. .67

245 ASP N 39, .39 23 .16 30, .04 34. .44

245 ASP CA 38, .20 22 .76 30, .78 35. .90

245 ASP CB 38, .32 23 .15 32, .26 37. .63

245 ASP CG 39, .37 22 .35 33 .00 38. .62

245 ASP ODl 39, .28 21 .11 32 .99 40. .08

245 ASP OD2 40, .30 22 .95 33 .58 39 .63

245 ASP C 36 .92 23 .36 30 .23 35 .42

245 ASP 0 35 .88 23 .25 30 .87 36 .37

246 ASP N 36 .98 24 .01 29 .08 35 .13

246 ASP CA 35 .77 24 .60 28 .53 34 .44

246 ASP CB 36 .09 25 .74 27 .54 35 .92

246 ASP CG 36 .53 27 .02 28 .23 37 .87

246 ASP ODl 36, .31 27. .19 29, .46 37. .97 to eo to to CO to CO IO eo to to to to to to to eo CO CO eo CO to CO CO to CO eo CO to to to to eo CO CO CO eo CO eo eo to to ui ui ui ui Ul Ul Ul ui ui ui Ul ui ui ui ui Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb *. lb lb

M M M M M M M M o o o o o o o o VD VD VD vo VD VO VO vo vo oo 00 00 00 00 00 -J ^J 1 -J ^J -J ^3 -J O cn cn

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P P P P P P P P Kj Ki Ki Ki Kj Ki Ki Ki Ki Ki Ki Ki κ| Ki Ki P P P P P P P P CΛ tn in

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O Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 Ω Ω 2 Ω Ω Ω Ω Ω 2 O Ω cn Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω 3 O Ω O

CJ J 63 ω > J 63 63 03 > ts IS CJ 63 03 > 63 ω to M M M to > CJ 63 63 03

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CO

eo eo CO to to ro to to CO co 00 00 00 00 to to to to to to to to CO to 00 oo 00 Ul 00 OJ oo 0J 0J oo oo l UJ 00 OJ ui OJ 00 cn Ol OJ OJ OJ Ul Ol ^1 O CO eo to o o vo vo VD vo CO -J -J l -O 00 o M M Ul 00 to t M eo o o o M CO OJ on lb ^J cn Ol M ^3 vo lb lb -J vo OO on M ] -o Ol on o M CO lb -J o on vo o 00 M M lb M lb 0J o o ui vo ui 01 on OJ co o vo O to CO vo O 01 lb o on 00 o VD lb co o on oo oo VO VD 1 -o vo o vo 0J VD M CO cn o lb lb Ol o cn 00 ^1 o oo vo

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CO Ol O CO o 00 ^1 ] on on Ol to on o 00 to to o on 00 VD J Ol 00 00 o M CO o 01 CO vo vo o Ul J oo VD 00 Ul on vo

01 lb M 00 to to cn ^1 to on vo 01 VD -o t 00 -J on CO t on Ul 03 -J M vo M o lb CO o o 00 o lb ] oo 00 CO CO 00 o

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CO cn H H PH M H H H H EC EC EC EC EC EC EC EC EC EC >9 ι ι9 M, ι β Ω Ω Ω Ω TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ ES ES P P P P P P P P H H H H H H M M. M H EC EC EC EC EC EC EC P P P P EC EC EC EC EC EC EC EC EC EC EC 33 33 LS LS ts LS ts t LS ES in in in in cn cn CΛ cn cn in 33 33 33 33 33 33 33 Ki Ki K! Ki ts ts t LS ES ES ES t ts ts ts

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257 SER CB 17..91 28..05 -2..93 41..97

257 SER OG 18. .84 27. .76 -3, .96 42. .76

257 SER C 17. .61 28. .98 -0. .64 41. .88

257 SER 0 16. .45 28. ,59 -0. .72 41. .68

258 GLY N 18. .13 29. .43 0. .50 41. .79

258 GLY CA 17. .28 29. .52 1. .67 41. .81

258 GLY C 16. .99 28. .23 2. .40 41. .78

258 GLY 0 16. .32 28. .25 3, .43 42. .08

259 ARG N 17. .46 27. .09 1. .88 41. .96

259 ARG CA 17. .24 25. .81 2, .56 42. .48

259 ARG CB 17. .36 24. .65 1, .57 43. .25

259 ARG CG 16. .43 24. .79 0, .38 43. .95

259 ARG CD 15. .02 25. .10 0. .83 44. .08

259 ARG NE 14, .16 25, .46 -0. .29 45. .04

259 ARG CZ 12, .88 25, .83 -0. .16 45. .45

259 ARG NHl 12, .32 25, .89 1. .04 45. .62

259 ARG NH2 12, .17 26, .14 -1 .24 45. .33

259 ARG C 18, .32 25, .73 3. .61 42. .10

259 ARG 0 19. .49 25. .48 3, .31 42. .07

260 ILE N 17. .93 25. .95 4, .86 41. .82

260 ILE CA 18. .86 25. .97 5. .97 40. .67

260 ILE CB 18. .37 26. .97 7. .04 40. .84

260 ILE CG2 19. .36 27. .02 8. .20 40. .56

260 ILE CGI 18, .15 28, .34 6. .40 40. .02

260 ILE CDI 17, .37 29, .30 7. .28 40, .52

260 ILE C 19, .17 24, .67 6 .69 40, .10

260 ILE O 18, .29 23. .87 6 .98 40. .03

261 ILE N 20, .45 24, .47 6 .98 38. .98

261 ILE CA 20, .91 23, .32 7 .75 38. .11

261 ILE CB 22, .12 22, .63 7 .10 37. .89

261 ILE CG2 22, .75 21, .64 8 .09 37. .96

261 ILE CGI 21 .69 21, .91 5 .81 37. .14

261 ILE CDI 20 .57 20, .90 6 .02 37. .25

261 ILE C 21. .34 23, .90 9. .10 37. .71

261 ILE 0 22, .25 24. .73 9. .17 37, .33

262 ASP N 20, .66 23. .48 10 .16 36, .55

262 ASP CA 20, .96 23. .91 11 .52 36, .49

262 ASP CB 19. .70 24. .45 12 .20 36, .81

262 ASP CG 20. .01 25. .28 13 .43 37, .95

262 ASP ODl 21. .16 25. .20 13 .94 37, .65

262 ASP OD2 19. .10 26, .01 13 .90 37 .88

262 ASP C 21. .45 22, .66 12 .22 36. .01 !

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Ω Ω 2 O Ω Ω Ω 2 0 Ω 0 O Ω Ω Ω 2 O Ω 2 Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω 2 O Cl Cl Ω 2 O Ω 2 Ω Ω 03 > 03 > 0 CJ Ω 03 > ts rs J Ω 03 > Ω Ω 03 03 ts ts CJ to M to M > >

to M M M M M M M M M to M to to to to to CO to t to CO ro to t to CO eo to to CO to CO t CO t t to to to CO eo

0 CO VD Ol 00 CO 00 vo CO O 0 O 0 M M t M CO 00 en Ol on lb OJ 00 M CO Ul eo Ul to UJ M co 00 Ul lb lb lb ui 01 cn

0 O CO 0 on Ul 01 vo CO lb ^1 lb 00 M to Ul 00 to lb 0 00 lb lb 0J 00 Ul cn CO lb 0 Ul Ul M to O 0 vo lb Ul cn

Ul ^3 M on to 0 vo on lb to 00 00 00 01 VO M to M en 00 0 on 00 lb ~3 Ul 01 vo 00 M CO co to 0 on 0 vo cn

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M Ul lb OJ 00 00 OJ to to O M 0 00 00 VD O M to to O 0 M eo ro 00 OJ lb lb 1 ^1 01 on lb CO 00 CO to M M M 01 01 ~J

M lb VD UJ 00 vo 00 0 01 O on 0 00 on 00 lb to to lb 00 on 0 on to vo ^1 on M lb lb M CO 01 0 00 to vo M lb 0J 00 cn Ol O M lb M O to vo OJ 0 lb 01 0 to lb 01 cn eo lb vo 1 0 to 00 Ul 00 o 00 on 01 VD 0 00 IO CO M ui M to to IO to t to to to to ro to to CO to to to t to M M eo CO to eo to to CO CO CO CO CO CO eo CO CO to to to to CO to CO 0 O to to to on lb lb to Ul on Ul lb lb OJ 00 M to VD vo 0 O CO eo OJ 00 lb cn lb on on 01 Ol 01 vo ^1 on en ui 01

OJ VD to on vo 00 UJ 00 1 on 00 00 00 00 on lb lb lb ui on vo VO 00 on 00 cn 00 VD 01 O 01 O co CO to vo lb on 00 Ul σ 00 vo Ul 0 00 VD vo cn 0 Ol 0 00 on on t 0J 00 VD 01 0 vo M vo 0 CO ro 0 co 0 CO VD lb 1 01 01 0 vo 0 M vo lb M lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb 00 lb lb lb lb

Ui lb lb lb lb lb Ul J 0 to to to oo to to M O M 0 on Ul CO M M M eo M 0 M M M M M 0 M M vo 0 vo CO cn

CO lb 00 00 01 0 CO M O on to VO M to 00 Ul O lb 0 00 vo on 0J on en VD M 10 co 00 00 -J Ul lb Ul Ul to 00 on 0 CO 00 vo lb M to 0 vo lb cn Ul 00 01 to vo J 0 lb on M lb lb 00 UJ _^ Ul 00 00 Ul on on to 01 00 M on 0 J on

eo CO CO CO to to to co co to to to CO to to to CO to to to CO to t to to to to to to to to to to to to ro to to to t to CO

VD VD oo oo oo 00 00 00 CO CO CO CO CO 00 oo oo oo oo oo oo oo 00 CO CO 00 CO CO CO CO CO oo oo oo oo oo oo oo 00 00 00 CO CO o O vo vo VD vo vo vo vo vo VD CO 00 oo oo oo oo oo oo ι ~j -J 1 cn on cn 01 cn cn en on on on on on on ui Ul lb lb lb lb

Ω Ω P P P P P P P P P H H H H H H H H Ω Ω Ω Ω H. >9 ι9 ι > > > > > ⁱ9 H. ^►9

Kj Ki Ki K; Ki Ki Ki Ki Ki P P P P P P P P P P P P EC EC EC EC EC EC EC cn cn cn cn ω i >n cn > in EC EC EC EC ω ω ω ω in co CO in CO CO ω ts ts ts ts ts ts ts ts Ki Ki 33 33 33 33 33 33 33 3 3 3 3 3 3 3 3 33 33 33 33

Ω 3 o Ω 3 Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω 3 O Ω Ω O Ω Ω 3 O Ω 3 O Ω Ω Ω α 3 O Ω Ω O ts t Ω 03 > CJ Ω Ω 03 Ω Ω 03 J Ω 03 Ω M M ro > > C ro M co D

M > Ω to M

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M CO CO CO M M M M M M to o M M M en on lb 00 0O 00 lb OO 00 00 ] cn σi lb lb to 00 UJ lb 00 lb lb Ol Ul on Ol Ol 1 to M o vo CO CO ^1 CO vo o o lb o 00 cn ! Ul lb CO OJ o to vo lb o M to VD J 0J oo OJ

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M M M M M M M M M M M M M M M M M M M M M ro CO to ro CO to to to to M M M M M M M M M M M to

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O lb M 00 Ol ~3 M on o o oo o t oo O 00 on ^J OJ vo ^3 M VD -o cn lb Ul VD M cn lb o cn on VD 1 M o VD M -0 on

290 CYS CB 9..81 10,.49 20..03 65..74

290 CYS SG 10. .38 9, .32 21. .29 68, .63

290 CYS C 9, .36 11, .06 17. .65 65, .21

290 CYS 0 8, .17 11, .35 17. .77 65, .44

291 ALA N 10, .15 11, .62 16. .73 65. .70

291 ALA CA 9, .64 12, .62 15. .81 66. .07

291 ALA CB 10, .77 13, .55 15. .38 66. .08

291 ALA C 8, .97 12, .00 14. .59 66. .48

291 ALA 0 9, .35 10, .92 14. .13 66. .17

292 GLY N 7, .97 12, .70 14. .06 67. .03

292 GLY CA 7, .27 12, .21 12. .89 67, .59

292 GLY C 5, .96 12, .93 12. .63 67, .77

292 GLY 0 5, .54 13, .77 13. .43 67, .30

293 ILE N 5, .32 12 .61 11. .52 68, .42

293 ILE CA 4, .05 13 .22 11. .15 69, .27

293 ILE CB 3, .65 12 .83 9. .71 69, .21

293 ILE CG2 2, .36 13 .54 9. .32 69, .56

293 ILE CGI 4, .78 13 .21 8. .75 69, .38

293 ILE CDI 4, .58 12 .72 7, .33 69, .38

293 ILE C 2, .93 12 .82 12. .11 69, .60

293 ILE 0 2, .81 11 .66 12. .49 69, .22

294 ASP N 2, .12 13 .80 12, .49 70, .54

294 ASP CA 0, .99 13 .59 13, .40 71, .53

294 ASP CB 0, .17 12 .39 12, .94 72, .19

294 ASP CG -0, .12 12 .42 11, .46 72, .69

294 ASP ODl -0 .77 13 .37 10, .99 73. .09

294 ASP OD2 0 .32 11 .48 10, .75 73. .01

294 ASP C 1, .46 13 .37 14, .84 71. .92

294 ASP 0 0 .66 13 .04 15, .71 71 .80

295 VAL N 2 .75 13 .54 15, .07 71 .99

295 VAL CA 3 .31 13 .36 16, .40 72 .17

295 VAL CB 4 .82 13 .02 16, .34 72 .05

295 VAL CGI 5 .40 12 .92 17, .74 72 .27

295 VAL CG2 5 .03 11 .72 15, .59 71 .89

295 VAL C 3 .12 14 .65 17, .20 72 .37

295 VAL 0 3 .43 15 .74 16 .74 72 .30

296 ARG N 2 .58 14 .50 18, .41 72 .59

296 ARG CA 2 .33 15 .64 19 .28 73 .04

296 ARG CB 1 .42 15 .21 20 .43 73 .77

296 ARG CG 0 .19 14 .45 19 .96 74 .65

296 ARG CD -0 .39 13 .59 21 .07 75 .66

296 ARG NE -0 .95 14 .39 22 .14 76 .68 OJ OJ OJ oo 00 Ui UJ Ui Ul Ul UJ UJ Ul Ul Ul t to to to to to to to to to to to to to t t to CO CO eo to to t to eo eo co o o o o o o o o o o o o o o o vo vo vo vo vo vo vo VD VD VD VD vo vo vo vo vo vo vo VO vo vo vo vo vo vo vo vo to to to to M M M M o o o o o o o VD VD vo VD vo VD vo vo co 00 00 oo oo 00 ~J ^J ^1 ^3 ^3 -j -J ^1 cn 01 01 Ol on

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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P Ω Ω Ω Ω Ω Ω Ω Ω Ω P3 >9 P3 H. ι9 ►9 ι ►9 ι9 P3 3 3 hi ι9 ι ι9 3 P P P P P P

Ki P P P P P P P P P Ki K! K; Ki Ki Ki Ki i K; K! EC EC EC EC EC EC EC Kj Ki Kj j Kj cn P P P P P P P 3 3 3 3 3 3 3 3 3 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33

2 O Ω Ω Ω Ω Ω 2 O Ω 3 O Ω Ω Ω Ω 3 O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω Ω O Ω Ω 3 O Ω 2 Ω Ω Ω Ω Ω 03 S ts Ω 03 > EC ts ts CJ t CJ Ω 03 3 eo M to ro M M > Ω Ω 0

CO M > ts t CJ Ω

M > CO Cl

M M M CO eo to t ro to to M M M M M to to eo ro CO to ro ro to to to ro to to to ro to CO to CO eo to CO co CO co CO VD oo vo OJ M M M M o o O cn 00 VD o M o 00 oo on on _^ on Ul lb lb on on on ^1 on en ^J 1 vo O Ul 01 ^1 00 on 00 ^1 o on oi M oo o ^1 oo vo to 01 O vo VD Ol eo on on to to vo VD Ul lb M oo 00 oo 1 Ol on o VD on M Ol ui lb

Ul to lb 00 Ol on o Ul vo cn Ol ro lb VD J vo to CO eo on Ol oo lb M o Ol 00 t o CO 00 o o on Ul to lb O lb vo vo 00

Ol

VO J M M M M M M M M M M M M M M M M M M M to to to M M M M M M M M M M M M M M M M CO t eo M ~0 on cn lb Ol on Ol on 01 Ul 00 on lb 00 lb lb on lb on o o o vo CO CO Ol on en on eo 00 oo lb Ul on 01 M o o oo

VO oo cn VO CO lb to oo J to 00 to 1 on 00 cn OJ 00 vo M on on 00 vo OJ 00 CO on on ^1 oo VO Ol VO Ol vo M oo oo M oo cn on oi CO CO M O vo oo Ol co o lb vo lb M 00 M vo to o o CO 00 vo oo O CO lb on lb CO M CO 00 Ul ^1 co eo co oo 00 00 OJ 00 00 00 oo OJ 00 00 Ul OO oo 00 0J oo 00 OJ OJ J 00 00 OJ 0J 00 Ul oo 00 lb lb lb lb lb lb lb lb lb lb lb lb lb

00 00 UJ CO M ro oo on 01 oi -0 00 1 CO 00 vo vo vo vo 00 CO 03 00 vo vo M o co to M M M O M oo 00 00 00 on oo lb 01 vo M oo ro CO to lb 00 M lb to en CO OJ lb o VD on on M o on lb Ol 00 J ^3 O VO lb Ul lb vo o lb lb o o on 00 01 M to CO Ol cn lb CO lb ^1 on Ol CO ^1 cn CO cn o M 00 M on O Ol vo on 01 0J Ul M ui o ^1 on Ul on on on on on on on on on on cn Ol on on on on on on on on on on on on Ul on Ul on on Ul on on on on ui Ul Ul ui Ol on on U oo ^1 Ol on ^3 1 oo 00 lb to M vo ^1 on lb lb M M M M M M to to 00 00 OJ 00 00 OJ OJ oo oo Ul lb M o vo 00

CO O ^3 ^1 vo t lb lb M Ol on M 00 ro t on vo CO on Ol oo on ^1 -J Ol o vo Ol to M to on M Ul on vo O oo lb 01 eo 00 to O M oi Ol 00 to ^J _^3 D CO 00 00 oo Ol lb 00 ~3 cn 00 00 Ol o OJ ^3 to to eo oo on M on oo M lb vo O eo

oo 00 Ul Ul Ul UJ Ul Ul Ul Ul Ul Ul Ul UJ UJ Ul Ul Ul oo 00 00 00 00 00 00 Ul UJ 00 Ul Ul OJ OJ 00 00 Ul Ul Ui Ul Ul 0J 00 Ul eo eo eo eo eo CO CO eo CO CO eo eo to CO eo CO eo eo CO eo co co to to to to to to to eo co eo eo co to to to to to to eo to

^j ! ι ^j ^1 _^) -J en 01 on 01 01 O σi σ Ol 01 Ol on Ul on on Ul Ul ui on lb lb lb lb lb lb lb UJ Ul Ul Ul Ul 0J 00 Ul

> > > > > > > > > > > > > > > > H H H H H H H H JJ TJ TJ TJ TJ TJ TJ P P P P P P P P cn n cn cn cn cn cn cn > 33 >

33 33 33 33 > 33 •pa 33 33 33 33 P P P P P P P P 33 33 33 33 33 33 33 κi κi κ; κ; κi κi κ! κ; 3 3 3 3 3 3 3 3 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω LS ES ts IS LS ES ES ts O O O O O O O cn cn cn cn cn in cn cn

O Ω Ω

M M M M M M M M M M M M M M M M M M M M M eo M M M M M M M M M M M M M M M M M M M M lb lb on Ul lb 00 00 Ul CO 00 to M to to to t to Ul lb on Ul o VO -J co -j -J O cn on on cn on ι vo oo vo ^1 CO 00 ^1 CO

M o t Ul CO lb to cn M o to lb O 00 M CO on Ul ^3 lb 1 cn on vo M M 0J M -j on -J vo VD M M t o o o 01 o to on Ol ^1 lb lb OJ -J o vo o lb cn M oo t lb M en ^1 00 M lb on 00 Ul OO CO Ol CO vo oo CO on o ^1 o OJ ^J lb ^1 Ul to Ol O

"*^• CO ro oo to ro to CO eo to to to to to to to to to to to to CO co CO to to CO CO to CO M M M M M M M CO to eo to M M

CO ^1 o 00 vo VD -J cn Ul on -J on 01 cn on on lb lb lb lb 00 lb lb Ol lb 0J to M M 00 vo vo CO VO VD VD o o M o VD CO

^j ^3 lb to to o cn on M 00 ] cn Ol on 00 on 00 to O o VD VD M o on ^1 OJ ^1 lb o 00 VD 00 to VD 00 IO Ol lb on 0J lb lb o ^1 vo to o CO on ^3 00 o M on -j vo to on on vo o on lb on on ] lb M oo Ul o on on M M ~J o o CO M o Ol vo

CO to to to CO eo IO eo to to oo 00 00 oo 00 00 00 to OJ to eo CO to to to CO to OJ Ul OJ to oo 00 OO 00 00 OJ oo OJ OJ oo cn Ol vo vo VD CO CO CO ^1 00 cn Ol on lb Ul M M vo o -3 VO oo vo vo co vo VO M o o VD o M M M to ^1 ^1 on lb lb 0J

M j Ul ^3 00 00 o vo CO ^1 M O lb M Ul VD O ^1 M VO M on CO M oo Ol lb UJ Ul o OJ o lb CO on o 00 to o CO lb Ul o ^1 to 00 00 00 oo ui vo VD 00 co O ] to 1 lb 01 M oo CO on lb ^1 oo o ] CO M CO on o lb on ^1 M lb to M Ul VD M cn Ol Ol en cn on cn en cn cn cn on cn cn cn cn cn cn cn 01 cn cn cn on cn Ol on cn on on on on on on on on oi on oi cn on on o o M M M M o M M M ^1 -j ι ^1 cn lb 00 to M o o o o vo o o vo o vo vo vo vo ID CO CO 00 M M M o VD 00 on on M M M o oo 00 ui ] cn CO cn to CO ^1 lb o 0J CO on M CO on o M ^1 M 00 M lb to eo vo to -J lb on o o 00 cn oo 01 ~J on -J M M M to to lb to on o o to l ] to M CO 01 on 00 o lb -J Ul M 00 00 Ol 00 CO cn o ^1 oo 01 vo vo M

00 00 00 oo Ul OJ oo 00 Ul Ul Ul Ul J Ul OJ Ul Ul Ul UJ Ul i OJ oo 00 00 OJ Ul Ul Ul Ul Ul Ul Ul UJ Ul OJ OJ OJ 00 oo 00 Ul

00 00 00 00 Ul OJ OJ UJ Ul Ul UJ Ul Ul OJ l Ul Ul Ul Ul Ul Ul OJ 00 Ul OJ OJ to IO ro to to to ro CO ro to to to to to to to

00 oo 00 00 Ul 00 to to IO to ro to M M M M M M M M M M o o o o VD VD vo vo VO vo vo vo oo oo oo 00 00 CO CO CO

H H H H H H cn n cn cn cn ω EC EC EC EC EC EC EC EC EC EC Ω O Ω Ω > > > P P P P P P P P P P P P P P ts ES ES ts ts ts H H H H H H H H H H P P P P > in >ω cn cn i >n cn cn cn ts ts is ES ES ts ts ts ts ES ES ES ts ES 33 33 33 33 33 33 (Λ cn in cn cn in cn cn cn ω Ki Ki Ki 3 3 2 3 3 3 3 3 G G G G G G G G

Ω Ω Ω Ω Ω Ω σ 3 O Ω O Ω 3 Ω 3 O Ω Ω Ω 3 O Ω Ω 3 O Ω 3 O Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 Ω Ω 03 Ω > t t CJ O Ω 03 > CJ 03 CJ CJ Ω to > ω 3 O Ω to M M to > to σ Ω

M > 03

M M to M >

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M on lb lb OJ to M M M 00 CO O o to M Ol Ul lb lb 00 to M CO to to J J lb lb M to to co lb lb lb lb O VD o cn on lb

00 on lb cn J Ul Ul to lb oo 00 Ol Ol -J o Ul to vo 00 lb VD 00 M vo VD vo 01 to lb M o -J to CO ro ^J -O to CO CO 00 on on lb ro 00 on Ul to O -J vo 00 OJ to cn oo lb oo vo on M eo 01 on o on lb σ vo ui M J l o M ui Ol on CO M on oo 00 to to ro ro to to to to to to to to to to eo CO to to to CO ro eo to ro to to to to to to CO CO to to to to CO to to to to to lb lb on lb Ul lb on on on lb lb lb Ul lb cn cn cn Ol cn Ol lb 00 lb 00 to OJ on lb Ul Ol Ul lb lb ui lb on CO cn ^1 cn on cn o -J ^1 vo 01 CO OJ to -J lb ro 01 on to eo lb lb M to M Ol 00 lb 00 VD o M M cn M lb o M to OJ eo o 00 00 lb on oo on on ui ~0 lb 0J lb 00 lb cn o on to Ul CO M cn CO 1 to ~ o o lb 00 CO vo oo o on ~0 ~J 0J on cn lb lb lb oo 01

M M M M M M M M M M M M M M M M M M M M M M to to to to to CO co t to to eo CO ro ro to to to o O oo vo vo o t M to to ro lb lb lb on lb lb Ol on 01 01 cn 00 00 00 o o o OJ M CO CO ro OJ on lb lb on on on on 01

00 cn OJ OJ ~J en to 00 on to Ol O O on on 0J lb lb 1 M O 00 00 M ] to M oo vo 00 CO ^1 OJ o o lb o Ol lb lb M oo cn to M ^1 lb M vo oo oo VO lb OJ CO 00 OJ CO o M M 00 vo to on lb -J ro 03 o cn on ro U) 0J -J 00 O -J vo M M lb vo lb lb lb lb lb lb lb lb lb tb lb lb on on on on on on on on on on on on on on on Ul on Ul ui Ul on Ul on on on on on on on cn lb on lb on Ul Ul on _^! cn ^J -o vo o o lb OJ 00 00 00 co M to 00 0J lb on cn cn vo CO CO 00 o CO vo vo vo vo vo vo o o ι oo oo to Ol vo CO O -J vo -o lb to co M CO CO 00 on ^1 VO vo o 03 cn vo ^ VD to cn ~J lb 00 lb eo M o on cn en on o

M OJ o vo Ol o o ^3 vo lb ^3 co lb to on o M on cn vo M on on ^1 to M to on M 01 OJ M to cn 01 Ol ^J vo -J M lb 1

oo oo oo oo oo oo oo oo oo oo oo oo oo oo oo oo oo oo oo oo o

-o o ι on cn cn cn cn cn en cn on on on on on on on ui oo

> > > > >9 ι9 >9 ι9 ι ι9 ι9 ι9 ι9 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P 33 > •pa 33 > >

33 33 33 > 33 > 33 > 33 33 > ^■9

33 Ki Ki Ki Ki Ki Ki Ki Ki Ki <-i Ki P P P P P P P P P P P P P P P LS ES ES ts Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 33 33 33 33 33 33 33 33 33 33 33 33 2 2 2 2 2 2 2 2 2 Ki Ki IS ES

Ω Ω Ω 3 O Ω 2 2 Ω 2 Ω Ω Ω Ω 2 O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 2 O O 2 O Ω Ω Ω Ω 2 O Ω Ω 3 O Ω Ω 03 EC EC ts ts CJ Ω ω C3 Ω 03 to > to > EC ts LS CJ ts Cl Ω ro ro to > ts LS to > >

M cn on on vo vo on on to eo o on o o to on cn to on eo eo cn to cn oo vo on o

Ol o Os ro oo oo to to eo to eo eo o vo o vo o oo to to oo eo to eo co o o vo vo vo ui cn to to o co oo on oo o oo o vo o on to on eo o oo on vo o o on as to o vo to to o o

to o o vo vo vo to ro OJ on vo o vo on to on vo vo on to o on o on oo eo co to vo vo oo vo vo o ui oo cn on on on on on on on on on on on on cn on oo on o co to eo on cn cn on on cn ui en on as vo oo o to oo ui vo o on o vo on on to o o vo o oo on on o eo to ui o on o vo o o eo

OJ Ul Ul Ul J OJ Ul Ul UJ Ul Ul Ul Ul UJ Ul Ul UJ UJ Ul Ul J Ui Ul Ul Ul Ul Ui Ul Ul UJ Ui Ul UJ Ul Ul Ul Ul Ul Ul OJ 00 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul Ul Ul Ul UJ Ul Ul Ul Ul Ul OJ OJ J Ul lb lb lb Ul Ul Ul UJ Ul Ul l to to eo eo CO CO to to to M M M M o O o O O vo vo vo vo VO vo vo vo vo VD 00 CO 00 00 ι9 ι9 ι ►9 H. ►9 >9 P P P P P P P P P Ω Ω Ω Ω > EC EC EC EC EC EC EC EC EC H H H H EC EC EC EC EC EC EC Ki Ki i Ki Ki Ki Ki Ki Ki P P P P P > > EC P P P P H H H H H H H H H H P P P P

P P P 33 33 33 33 33 33 33 cn ω in cn cn in cn cn cn i Ki Ki Ki > > > tn cn cn in cn cn cn cn cn in ts t ts ts

Ω Ω 3 O Ω O O Ω Ω 3 O Ω 3 Ω Ω Ω Ω Ω 3 O Ω Ω 3 Ω Ω Ω Ω 3 03 > Ω Ω 03 03 eo M > ts S C3 Ω 03 > > o Ω Ω Ω 3 Ω Ω 3 > o 3 Ω Ω Ω ES ts J CJ Ω 03 o CJ Ω to M M CO > M M

M M M M M M M M M M M M M M M M

O vo vo ^1 CO CO ] 00 00 -J 00 l to to lb lb O Ol oi cn cn cn ] ^1 ^1 00 VO o o M o o M O M to to oo lb lb ] ^J

^1 oo ~J on on lb cn cn O on 00 1 Ol vo Ul -o M on ^1 M on 00 vo M vo oo M lb on o o CO CO Ul Ol on lb lb cn lb 00 to cn M o on oo lb to ^1 lb to -J lb to Ol Ol lb O o OJ on lb M to o ] lb on lb ^1 on 00 lb to O lb ^1 M cn o vo CO Ol to CO to to to to ro to t to to to to to to o to to to to to to to oo to to to to 00 CO CO to 00 t t OJ to oo to to IO to

O M to OJ OJ -o on on lb on on on M OJ Ul lb lb on n CO oo VD 00 o vo ι vo 00 M VD CO vo o VD vo O vo o CO vo 00 vo lb OO ] o lb to on oo 00 o on lb 00 M M on lb 1 lb o O 00 to lb 00 O VO o vo CO Ul o O ^1 ro ui o o to o 00 vo ui o o M OJ to to M Ol to 01 lb Ol on o OJ M vo to cn vo M o M lb CO CO lb M 03 o on lb 00 -o 00 o vo M ] on

M M M M M M to M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

00 VO vo vo vo VD O vo 00 1 on 01 to 00 00 lb on on lb 01 on lb OJ M M O M M to to cn ] en Ul ui lb to to to M to to vo co oo vo lb lb co o 00 VO to Ol cn to CO lb O 00 00 to M O M Ol vo to o ^1 on 00 on lb ] 00 00 OJ vo o to l O Ol

VD cn to CO ro 0J vo on to M o Ol Ol Ol lb M 00 o lb ^1 cn 00 ^1 M vo Ol 00 lb o CO 00 to oo O vo OJ 00 cn ~0 00 O o

^1 1 -J ] ] 1 ^1 1 ^1 01 oi oi 1 Ol cn on cn cn Ol Ol cn cn on O cn Ol cn on Ol Ol on cn cn Ol cn Ol cn on Ul ui Ul on

M M M o o o o o o O vo vo o vo vo VD vo vo 00 CO CO 01 on on lb oo to CO Ul ui lb lb lb ro M vo 00 oo en 01 vo ^3 to lb o on on lb OJ vo vo CO o 01 on lb on lb 00 ^1 oo on on ^1 on 01 Ol on lb ui to 0J vo Ul 0J vo 00 00 M to lb on Ol o Ol cn vo lb VO vo 00 lb M to to on M on to to o OJ J to CO vo M to lb oo ui vo CO o oo on o o o to vo ~o o

344 VAL CGI 10..73 19,.05 19.46 72,.27

344 VAL CG2 10. .35 20, .59 17, .53 72, .23

344 VAL C 10. .41 21, .48 21 .25 72, .11

344 VAL 0 11. .59 21. .80 21 .40 71, .95

345 PRO N 9. .60 21. .25 22 .29 72, .66

345 PRO CD 8. .16 20, .91 22 .25 72, .67

345 PRO CA 10. .06 21, .35 23 .68 73, .19

345 PRO CB 8. .76 21, .39 24 .47 73, .03

345 PRO CG 7. .88 20, .48 23 .68 72, .87

345 PRO C 10. .98 20, .20 24, .13 73, .58

345 PRO 0 11. .04 19, .16 23, .48 73, .20

346 ILE N 11. .68 20, .41 25 .23 74, .42

346 ILE CA 12. .56 19. .38 25, .77 75, .33

346 ILE CB 14. .07 19, .79 25 .68 75, .47

346 ILE CG2 14. .49 19, .88 24 .22 75, .13

346 ILE CGI 14. .31 21, .12 26 .40 75, .44

346 ILE CDI 15. .78 21. .54 26 .42 75, .86

346 ILE C 12. .19 19. .06 27 .21 75, .83

346 ILE 0 13. .03 18. .60 28 .00 75, .62

347 ILE N 10. .93 19. .31 27 .55 76, .46

347 ILE CA 10. .39 19. .02 28 .88 77, .28

347 ILE CB 10, .59 20. .18 29 .89 77, .19

347 ILE CG2 12, .07 20. .42 30 .15 77, .30

347 ILE CGI 9, .90 21. .45 29 .38 77, .49

347 ILE CDI 9, .81 22. .55 30 .42 77, .70

347 ILE C 8. .89 18, .77 28 .73 77, .80

347 ILE 0 8. .30 19, .11 27 .70 77, .46

348 LYS N 8. .29 18, .18 29 .75 78. .74

348 LYS CA 6. .86 17, .90 29 .74 79. .61

348 LYS CB 6. .49 16, .94 30 .88 79. .85

348 LYS CG 6, .92 17, .41 32 .26 80. .62

348 LYS CD 6. .28 16, .59 33 .37 81. .33

348 LYS CE 6. .62 15, .11 33 .27 81. .79

348 LYS NZ 5, .94 14, .32 34 .34 82. .29

348 LYS C 6. .09 19, .20 29 .90 80, .05

348 LYS 0 6, .67 20 .24 30 .22 79, .66

349 GLY N 4. .78 19 .14 29 .66 80, .76

349 GLY CA 3, .94 20, .32 29 .80 81, .74

349 GLY C 4, .02 21 .29 28 .62 82. .30

349 GLY 0 3. .99 22 .50 28 .81 82. .47

350 GLY N 4. .11 20 .74 27 .42 82. .64

350 GLY CA 4, .17 21 .58 26 .23 83. .21 oo o 00 00 oo oo 00 OO Ul oo o OJ J Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul OJ oo oo OJ OJ OJ OJ OJ OJ OJ OJ OJ OJ J OJ OJ OJ on on on on on on on on Ul on on on Ul Ul ui Ul ui Ul Ul ui Ul ui ui ui Ul on on on on on on on on on on on on on on on on on on on on on on on on on lb lb lb lb lb lb lb lb lb lb lb Ul Ul Ul UJ Ul Ul oo to t to to to M M M M M M M M M o O

2 2 2 2 2 2 2 2 > l > > > > > > > > •9 H ι9 ^hi ►9 ι9 H > > > > > Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω

IS rs IS rs rs rs rs IS 33 33 ^•a ^•pa 33 33 33 33 33 33 33 EC EC EC EC EC EC EC P P P P P P P P P P P P P P P P

H H H H ι H H H 63 63 63 63 63 63 63 63 63 63 63 33 33 33 33 33 33 33 > > > > > G G G G G G G G G Ki Ki

O Ω Ω cn Ω Ω Ω 3 Ω Ω 3 3 Ω 3 Ω Ω Ω Ω 3 O Ω Ω O Ω Ω 3 Ω Ω Ω Ω 3 Ω Ω O O Ω Ω Ω Ω 2 O Ω t α 63 03 > EC EC rs rs O 63 03 0 to M > 63 63 03 to >

M > ω > IS ES CJ 63 0 to M

1 1 1 1 1 1 1 1 1 1 to OJ CO ^1 Ol on lb Ul M eo oo eo to CO M o o M o CO M o o o o o o o M o o eo M o CO M M M M to M eo

VD lb oo Ol M lb M to 00 M CO CO J M cn lb to oo cn o o co to vo CO to cn CO ui to M oo lb M o CO lb 01 cn CO -J 00

VD on ] lb M 01 on lb vo ~0 oo o lb vo M oo ^1 o to on Ul oo -J lb on eo vo on VD OJ lb on o lb CO o M M to Ol oo OJ

Ol

VO

^ M M M M M M M M M M M M M M M M M M M M to CO eo to ro M M M M CO eo eo ro eo eo to to to t CO ro

01 ^J -J Ol ^1 ^1 -0 -J vo 00 lb 01 on lb on O 01 -0 vo vo vo to OJ M o o 00 VD oo oo o o o 01 ui Ul lb OJ M M M M lb on on oo to CO vo on lb lb M Ul o on lb CO VD VD o o ui ro o VD Ol 00 Ul M lb VD M o Ul to 00 ui 0J o CO ^0 ui on o lb vo o 00 M vo VD on lb •J Ul 00 cn o ^1 -J CO ^3 lb o lb M on M lb o 00 00 00 CO CO VD oo lb -J oo vo on vo lb lb

M M M M M M M M M M M M M M M M M M M M M M M M M M M IO to CO to CO eo t eo eo to to to eo eo to

M to Ul lb lb oo lb lb lb oo oo 00 Ol on 01 Ul on cn CO ~J Ol 00 03 00 vo vo o to M eo CO to to M CO 0J to 0J lb O on

VO o M vo 00 lb 00 lb o Ol vo Ul o VD VD lb OJ CO on CO ^1 Ul -J o o -J on eo to -J on o Ul on ui OJ to on lb to M Ul

Ul lb Ul oo on oo eo to OJ ^1 ^1 to 00 Ol M on OJ oo to on o Ul on lb on VD M Ul lb cn o lb vo co lb vo vo t J o Ol eo 1 ^J ^1 ~J -J ^1 ^1 ^J 1 -J 00 00 CO CO CO 00 CO co co co oo oo oo oo oo oo oo 00 00 CO CO 00 00 00 00 CO 00 CO CO 00 CO CO

Ol oi cn o cn ^1 ] CO vo VD IO M M M M M o o o M M M M M M eo 00 CO oo 0J OJ 0J 00 cn cn on on lb lb 0J oo oo

-J -J -J ro 00 M 00 to M 00 o cn vo 00 lb M on M ] to t M on on Ol oo o 00 eo M OJ on ] Ul 01 CO lb on M 00 -J Ol lb lb ro lb VD VD Ul on lb M to vo lb M lb 00 ] o lb to Ol J cn lb -o eo lb cn oo M oo vo 00 ] ~J o o ^1 o VD 00 CO

OJ OJ 00 00 00 00 00 UJ Ul Ul Ul Ul 00 00 00 OJ OJ OJ OJ 00 00 00 00 00 00 00 00 00 00 00 00 00 00 OJ 00 OJ OJ OJ OJ OJ 00 J cn 01 01 O 01 01 Ol Ol Ol Ol Ol on on on on on on on on on on on on on on on on on on on on on on on on on on Ul on on on on

M M M M 0 0 O 0 O 0 0 vo vo vo VD vo o vo vo o CO CO CO CO ] -J 1 ^ ^1 ^1 ^1 ^1 01 01 01 01 Ol 01 01 01 01

Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P P P P P P P P P P P P P P P P P P

G G G G Ki Ki G G G G G G G G G G G G G G G G G G

Ω Ω Ω 2 O Ω Ω Ω Ω Ω

> 2 O Ω O O Ω Ω Ω Ω 2 O Ω Ω 2 O Ω O O Ω Ω Ω Ω 2 O Ω O O Ω Ω Ω Ω 2 Ω 03 Ω Ω 03 ts to O Ω 0 M > ts to M ω > > LS ES CJ Ω 0 CO M > ES ES D Ω 03 to M >

M M M M M M M M M M M

O M CO co M M CO OJ to M 0 VO vo lb lb on on J ^J ^3 00 -O 01 Ul UJ lb to M eo 00 to OJ OJ lb 00 O 0 0 0 to CO 00

OJ ! on 00 CO Ol M 00 lb lb 0 ui to ] vo 0 01 0 ] 0 0 to on ~J vo Ul CO CO ^3 Ol vo CO 0 CO on lb M lb vo O 0 00

OJ VO M vo M 00 ^1 on 0 O 01 on CO 0 01 01 Ol lb ] -J Ul ] 0 -J Ul co 00 CO CO Ol OJ Ul CO 00 01 OJ M 01 00 CO to 00 to M eo eo CO CO to eo to to to M M CO to to to to to M M M M M M M M M M M M M M M M to to eo M M M M

0 VD 0 0 CO M M M M O O CO vo CO 0 M M 0 0 VD vo VD 00 -J CO ^1 to lb 00 lb on cn n 1 _^) to M M vo vo 00 00

0 ^1 01 to M M M CO Ul Ol VO ι o 0 Ol Ul M on Ul 00 vo CO M co on lb on OJ 00 ^1 on 00 vo on on M 00 to CO 00 0 lb on O M 00 On O on on O ] M lb M M lb 00 ^1 00 to to 00 OJ ^1 CO 0 Ol vo ui OJ lb lb VD CO lb M lb vo 00 on to VD eo

M M M M M M M M M M M to CO M 0 O VO Ul ^1 1 00 CO 0 ^1 O O 0 CO CO ^1 cn lb on lb ui on ui lb OJ 0J lb on Ol ^J 00 CO O 00 VD 0 VD vo M

VO CO vo on M ] vo 00 lb OJ O -0 -J CO 00 0 01 -J lb cn -J OJ Ul 00 lb -j 0 M 00 Ol 1 01 Ol 00 1 on on ] M CO 00 O

O eo M eo CO Ol ^1 0 to to O 00 lb CO VD CO 01 00 on lb 00 J -J 00 00 Ol to M 0 Ul M 0 00 VD on 00 lb to lb lb 0 on on on on on on on on Ul ui on Ul on on Ol 01 σ Ol cn on Ol cn 01 on Ol 01 Ol ] ~J ] -J 1 0 1 1 ~J 1 1 ! ^1 ] ] ] to M M CO 00 lb on lb ui Ul 1 D VD to M CO M M 0 ro lb lb Ol 00 vo VD on lb lb OJ to M 00 lb lb ^1 ^j ] on on Ul on

O CO 00 on 00 O M 00 OJ t lb lb 00 00 ^1 M 00 to CO 00 ^1 on M eo 01 VD 0 ~0 lb 01 lb Ul 0 lb 00 00 ^1 to on 00 eo 00

00 VD eo M ] 00 to VD 00 VD lb on 00 vo ^1 0 cn ~ vo M M CO M cn lb VO ] VO VD to 0 VD lb 00 lb 00 M Ul M 00 lb lb

OJ 00 oo oo oo 00 00 oo OJ OJ oo 00 OJ oo oo 00 J OJ Ul Ul Ul Ul Ul UJ OJ OJ UJ Ul Ul Ul Ul oo 00 00 UJ ui ui ui ui ui ui ui cn cn 01 cn cn 01 01 01 Ol Ol Ol Ol Ol Ol Ol 01 01 Ol 01 Ol Ol Ol Ol 01 Ol 01 cn cn en cn cn cn cn 01 Ol oi oi cn cn oi o oi cn Ol 01 on cn on Ul Ul on on on on lb lb lb lb lb lb lb lb lb Ul Ul oo OJ 00 J UJ Ul ro ro to t to M M M M M M M M

TJ TJ TJ TJ TJ H ι9 ι9 H ι9 ι9 H Ω Ω Ω Ω Ω Ω Ω Ω Ω H H H H H H H M > > > > > H ■9 ι9 >9 ι9 >9 ι9 ι-3

EC EC EC EC EC EC EC EC EC EC EC EC P P P P P P P P P P P P P P P P P P P P P P KJ KJ J KJ κl KJ Ki

LS ES ES ES ES 33 33 33 33 33 33 33 G G G G G G G G G rs ES ES IS ES IS ts ts > > > > > 33 33 33 33 33 33 33 33 π Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω 2 O Ω O Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω 2 O Ω O Ω Ω Ω Ω Ω

63 03 > 63 63 03 to > IS ts CJ 63 03 to M > J 63 63 03 EC IS tS CJ ES CJ

M M M ro > 03 >

M CO CO M M

M to o to M to M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M VO O o O vo o vo vo CO 00 oo o ^3 ^1 VD CO J CO CO cn CO 00 lb ui on on ui lb ui Ol ui lb lb lb Ol 1 oo vo 00 vo lb Ul 00 lb 00 on o 00 M OJ cn Ol ^1 Ul Ul oo cn M vo M o o 00 oo on ^1 vo lb o Ol 0J CO o to cn on oo o lb

M O on 00 on M VD o Ol on 00 lo M M o 1 en vo en o lb on Ol vo ^J CO vo vo lb lb M Ul lb lb 1 on M o on Ol co

CO CO eo to to CO eo M M M M M ro ro ro CO to to to t M M M M M M M M M to to to t t M to to co eo to M M Ul 00 eo M o o o ^1 CO vo VD o o lb lb lb to M o VD CO vo 1 en 00 vo M o t M M vo o o o M o VD vo

Ul lb ^1 M on o M lb OJ o on Ol ui M 00 t o 1 on M 00 cn M M en OJ CO 01 OJ 00 vo ui lb on vo ^1 to CO 03 on ^1 OJ to VD lb 01 o lb CO vo OJ o o M vo ui M Ul 01 cn eo o co 00 Ol CO M on to t on on O CO o o J 00 1 to CO to to to eo CO CO eo CO to ro to to M M M M M M M M M M M M M M M M M M M M M M M M M M M M

00 lb on ui on oo 00 CO 00 00 00 M M o 00 vo vo vo VD vo 00 ^ cn Ul Ol en Ul on ui lb 0J OJ M to OJ 00 lb oo eo M

^1 ui CO 00 o OJ CO 00 lb oi M Ol CO co Ul to o lb o 00 on o lb M Ul lb cn lb M to M vo OJ vo OJ to o o vo o VD M ^1 vo o o o CO lb co o o ^J to ui cn Ul 1 vo ui vo on VD Ol o lb on OJ oi M ui 00 Ol lb to OJ vo o co to eo on Ol lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul u on on on on U

M eo to t to CO oo lb lb lb lb lb lb Ul CO 00 CO Ol on lb lb lb on cn o on on Ul Ul cn ^J ^3 CO vo o lb CO eo M CO M lb eo M 00 ^1 VD ^1 on oo M vo lb 00 00 en 01 Ul lb en o co ui CO o OJ to J cn to 01 ^1 lb to M -0 Ol 01 CO Ul CO 00 OJ 01 en 01 M CO ui vo M ui o ui oo CO 00 lb vo VD cn cn lb vo Ul cn o to Ol o ui Ul cn 00 oo M cn

366 PHE CD2 21..71 24,.02 24,.22 41,.88

366 PHE CEl 19, .53 24, .30 22, .53 42, .02

366 PHE CE2 21, .84 24, .76 23, .04 41, .47

366 PHE CZ 20, .75 24, .90 22, .20 41, .81

366 PHE C 20, .30 20, .63 27 .21 42, .81

366 PHE 0 19. .23 20, .71 27, .82 42, .22

367 GLY N 21. .39 20, .06 27 .71 42, .62

367 GLY CA 21. .40 19, .52 29 .06 43, .17

367 GLY C 22. .23 20, .45 29 .93 43, .72

367 GLY 0 23. .18 21, .07 29 .44 43, .29

368 SER N 21. .89 20. .57 31. .20 43. .78

368 SER CA 22. .64 21. .46 32. .07 44. .34

368 SER CB 21. .96 22. .82 32. .13 43. .38

368 SER OG 22. .73 23 , .71 32. .92 42. .70

368 SER C 22. .81 20. .92 33, .47 45. .00

368 SER 0 22. .05 20. .06 33 , .92 45. .15

369 THR N 23. .83 21. .43 34, .16 46. .37

369 THR CA 24. .10 21, .05 35, .53 47. .23

369 THR CB 25. .60 20, .79 35, .75 47. .51

369 THR OGl 26. .35 21, .98 35, .47 47. .37

369 THR CG2 26. .07 19, .66 34, .85 47. .39

369 THR C 23. .68 22, .20 36, .44 48. .10

369 THR 0 23 , .82 22, .12 37, .65 48. .27

370 GLY N 23. .14 23, .26 35, .84 49. .34

370 GLY CA 22. .70 24, .42 36, .61 50, .56

370 GLY C 21, .22 24. .36 36, .96 51, .79

370 GLY 0 20, .74 23, .33 37, .44 51. .96

371 LYS N 20, .49 25, .45 36, .72 52. .67

371 LYS CA 19. .06 25, .50 37, .03 53, .81

371 LYS CB 18. .61 26, .94 37, .31 55, .03

371 LYS CG 19. .16 27, .54 38, .60 56, .73

371 LYS CD 18. .05 27, .78 39, .62 58, .16

371 LYS CE 17, .02 28, .79 39, .10 59, .09

371 LYS NZ 15, .87 28, .95 40, .04 59, .05

371 LYS C 18, .20 24 .93 35, .91 53, .67

371 LYS 0 17. .04 24 .60 36, .11 53. .63

372 GLY N 18, .79 24 .81 34 .73 53, .71

372 GLY CA 18, .04 24 .29 33 .60 53. .74

372 GLY C 17, .25 25 .41 32 .94 53, .96

372 GLY 0 16, .27 25 .16 32 .23 53, .86

373 VAL N 17, .68 26 .64 33 .17 53, .84

373 VAL CA 17. .01 27, .80 32, .58 54. .03 00 oo 00 oo oo 00 00 Ul UJ UJ UJ UJ UJ oo oo 00 OJ oo 00 Ul Ul 00 00 OJ OJ OJ oo oo 00 00 OJ OJ OJ OJ OJ OJ OJ OJ OJ ui l Ul

^1 ^1 ^1 o _^) ~j ! ^1 ~J ^1 ^1 l -^1 ^1 ] ^3 ^1 ^1 ] ] ^1 ^J ! ^J ^J _^! l ] ^1 ] ^1 ^3 ^ ^1 ^J ~J ~J ^J ^3 ^J ] ~J

CO CO CO 00 ~J ^•~j l ^1 -J ] ^1 ^1 cn Ol Ol 01 Ol Ol Ol 01 on on on Ul on on on on on Ul lb lb lb lb lb lb lb OJ OJ l Ul Ul

2 2 2 2 > > > > > > > > > > > EC EC EC EC EC EC EC EC EC EC <; <; <; <; <; <: <, fl fl <; <; ts IS IS rs rn rn rn cn tn tn tn tn tn tn tn tn tn tn tn tn H H H H H H H H H H > > > > > > > ι H H H TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ cn cn ω CΛ cn cn ω to in cn P P P P P P P P P P P P

Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω 3 o Ω Ω Ω Ω Ω Ω 3 Ω Ω 3 Ω 3 Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3

63 J 63 03 63 03 o Ω Ω Ω Ω

03 > O 3 to to > ts ts CJ CJ 63 03 > 63 63 03 63 63 0

M > a O

M to M M CO CO M to M

CO to ro CO to CO CO CO CO to CO CO to eo M M M M to M CO M CO eo CO to to M M M M M M CO M M M M M M M M 00 ^1 cn on lb lb on lb on lb 00 to M M ^1 ^1 CO o o vo o vo eo M o M o 00 00 vo Ol 00 ^1 o vo CO ^1 vo 00 Ul Ul oi

M Ol 00 ^J J vo VD M M σ lb M eo lb vo M OJ o M Ol on M 1 on M o ^J cn o CO M vo o M cn -J o o J o o cn M lb M VD VD o lb o Ul vo cn 00 00 Ul vo ^1 CO on VD VD vo on 01 M 00 CO OJ OJ o vo o o on CO oo ui vo lb 1 CO

Ul 00 00 oo oo OJ OJ oo OJ OJ J OJ 00 oo 00 OJ OJ 00 OJ 00 00 OJ OJ 00 OJ 00 oo OJ OJ OJ OJ oo eo eo oo 00 CO eo CO CO eo CO 00 vo oo ~0 ^1 on ^1 on Ol ^1 ^1 CO vo Ol 00 00 Ol lb on lb 0J OJ on lb lb lb t to M vo 00 o o o vo CO ^1 vo CO o o to Ul VD vo CO OJ on to o lb o CO o oo o eo on o 00 Ul lb on cn 00 to oo M vo oo VD M lb Ul o CO lb oo lb

VD ^1 on ^ 00 on 01 CO Ol Ul lb o o on o oo lb 00 lb ^1 on M 00 on o on CO VD oo o o cn ui ui vo o o CO oo ^1 co to to eo t CO eo oo 00 OJ OJ CO CO 00 eo eo CO CO to CO CO eo eo 00 0J OJ oo 00 00 oo 00 00 00 CO eo CO 0J oo oo oo oo oo Ul

CO 1 00 00 ^1 CO M M M o vo 03 o vo Ol cn ^3 00 00 vo vo vo oo 0J OJ eo ro eo o o o o CO vo vo o M CO CO lb eo Ul on on M vo OJ lb ^1 vo OJ CO lb 00 eo cn o o on 00 lb ^1 lb cn ro 00 o 01 cn lb on M o o lb o M lb CO cn cn t co 00 o on lb o 00 OJ OJ vo vo CO VD oo lb o lb VO -o M Ol on M o vo σi to oo to ^3 cn lb 00 o lb M U VD M on Ul on on on on Ul on on on Ul on Ul on on on on on on on on on on on on on on on on on on on Ul Ul ui Ul Ul Ul Ul on on ui cn lb 00 lb lb lb ^1 on Ol Ul lb lb lb Ol Ol cn on lb lb J lb cn σi 01 cn cn on lb lb oo lb 00 lb lb lb o Ul lb lb 00 lb on 00 00 01 CO ^1 VD lb vo M M lb Ol 1 1 CO on cn CO on on Ol ^1 oo OJ lb 00 Ol lb 1 o CO CO 00 01 M Ib oo o M on 01 o ^1 1 CO o OJ CO M o o on lb cn on on lb o oo CO to o 00 to o oo o Ul CO ui Ul lb ^J M M VD 00

378 MET SD 29..39 35..95 27..83 58,.20

378 MET CE 28. .30 34. .81 26. .97 57, .51

378 MET C 26. ,43 40. ,23 27. .01 52. .75

378 MET 0 25. .27 40. ,63 26. .90 52. .88

379 GLU N 27. .39 40. .59 26. .17 50. .98

379 GLU CA 27. .14 41. .52 25. .09 49. .16

379 GLU CB 28. .47 42. .18 24. .71 50. .72

379 GLU CG 28. .37 43. .48 23. .95 52. .69

379 GLU CD 29. .74 44. .11 23, .77 54. .16

379 GLU OEl 30. .24 44. .74 24. .73 54. .94

379 GLU 0E2 30. .32 43. .95 22. .68 54. .76

379 GLU C 26. .52 40. .82 23, .87 46, .97

379 GLU 0 26. .79 39. .65 23, .62 46, .46

380 CYS N 25, .68 41. .53 23 , .13 44, .70

380 CYS CA 25, .02 40. .93 21, .97 42, .43

380 CYS CB 23, .69 41, .64 21. .68 42, .94

380 CYS SG 22, .62 40, .77 20. .50 40, .98

380 CYS C 25, .89 40, .94 20 .72 40 .97

380 CYS 0 26. .63 41. .89 20. .46 40, .47

381 SER N 25, .79 39. .88 19, .94 39. .20

381 SER CA 26. .57 39. .76 18. .71 37. .72

381 SER CB 27. .73 38, .79 18. .92 37. .45

381 SER OG 27. .26 37, .52 19. .32 38. .06

381 SER C 25. .70 39, .26 17. .57 36. .29

381 SER 0 25. .98 39, .51 16 .41 35 .75

382 HIS N 24. .63 38, .55 17 .93 35 .46

382 HIS CA 23. .71 37, .99 16 .95 34 .03

382 HIS CB 23. .21 36, .63 17 .45 33 .97

382 HIS CG 24, .24 35, .54 17 .36 34 .34

382 HIS CD2 24 .22 34, .37 16 .69 34 .38

382 HIS NDl 25 .46 35 .59 18 .01 34 .34

382 HIS CEl 26 .14 34 .49 17 .75 33 .34

382 HIS NE2 25 .41 33 .73 16 .95 34 .99

382 HIS C 22. .51 38, .94 16. .72 34. .25

382 HIS 0 21, .95 39, .51 17 .67 33 .35

383 TYR N 22, .14 39, .13 15 .46 34 .38

383 TYR CA 21, .01 39. .98 15 .10 35 .48

383 TYR CB 21. .46 41. .40 14 .72 35 .18

383 TYR CG 22. .19 42. .12 15 .83 35 .71

383 TYR CDI 23 .51 41 .78 16 .15 35 .11

383 TYR CEl 24 .16 42 .38 17 .21 35 .15

383 TYR CD2 21 .56 43 .09 16 .60 35 .62 Ul UJ Ul Ul Ul Ul Ul Ul Ul UJ oo 00 00 00 00 00 J OJ OJ 00 OJ OJ 00 Ul Ul OJ oo OJ OJ 00 Ul UJ l Ul Ul 00 00 Ul 00 Ul U) UJ

CO CO 00 00 oo oo oo oo 00 00 CO CO CO oo CO oo oo oo co CO 00 00 CO CO 00 oo oo oo oo 03 00 00 00 CO 00 00 oo CO oo oo oo 00 co ^1 ^1 ^1 -J -j ^1 ^1 ] o ] -J Ol on Ol as cn cn 01 cn on on Ul ui ui on on on on lb lb lb lb lb lb lb lb CO UJ Ul Ul UJ

> TJ TJ TJ TJ TJ TJ TJ J TJ TJ TJ > > > > > > > P P P P P P P P P 2 2 2 2 2 2 l l9 l l l9 tn EC EC EC EC EC EC EC EC EC EC EC cn cn to in in cn tn cn Ki Ki Ki Ki Ki Ki Ki Ki ts tS LS LS IS ES ES ES κ; κ; κi κ; κi

TJ ES LS ES ES LS IS ts ts ts LS ES 2 2 2 2 3 3 3 3 cn cn CO CO CO CO CO CΛ CΛ J >9 ι9 ι9 ι9 β ι9 ι9 33 33 33 33 33

2 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω 2 o Ω Ω Ω 3 Ω Ω 3 Ω Ω Ω Ω Ω 3 Ω Ω Ω Cn Ω Ω Ω 3 0 Ω 0 Ω Ω ts ES ES α α 63 03 > O o 63 ES CJ Ω 03 EC tS ES co M eo M eo M ω > ts IS σ 63 ω > to

M M M M M M M M M M M M M M M M M M M M M M M M M M M M co ro to to CO

00 00 VD vo CO M vo M O O O M M M VO vo vo M to 00 lb lb lb lb Ul lb Ul Ul Ol cn -3 on on 0 J 00 vo 0 0 lb OJ ro

00 CO M vo 00 to 0 00 ro lb Ul O lb lb Ul M 00 M O OJ lb lb M O O 00 ] ] CO oo O ^3 vo to 00 to 0 VD Ul M on CO lb on Ul vo 01 on 0 ^1 on O M ~J to VD lb J on 1 VD ] O Ul ui -J to -J vo to lb 00 ui CO M 0 M 01 M eo 0 co CO M

Ul 00 OO 00 oo OJ 00 OJ oo 00 OO OJ lb OJ lb lb lb lb lb lb 00 lb lb lb lb lb lb lb lb lb 00 OJ 00 00 00 Ul Ul Ul UJ lb lb lb vo 00 00 lb lb lb on on on on CO CO O VD M 0 0 M O M vo 0 00 OJ to ro M O 0 0 vo on Ul on ^1 VD VD 00 VD 00 OJ 00

0 0 O lb ^1 O lb lb 1 on 0 01 Ol VO M to 00 lb lb O 0 to 01 on lb to M VD M Ul vo M M VD 01 0 01 cn Ul vo 00 -J

Ul 0 to O t Ol M cn CO lb en on lb M lb 00 vo -J to M to ui ] M lb lb 00 00 -J -J 00 00 cn on lb ~J CO eo on 0 00 0

M M M M M M M M M M M M M M M M M M M M M M M M M vo ^J CO on 01 Ol 0 ^1 00 vo vo 0 vo O lb to to to M M M M on Ol ^1 CO vo O M Ul to 00 M M t to Ul Ul OJ vo 0 -J

^1 on ] 01 OJ O on to 0 00 M J lb OJ O 0 00 OJ Ol OJ M O M Ol M 01 M cn O t OJ to VD J vo 01 ^ M VD 0 VD 01

M lb 00 to 01 CO ~J vo lb Ul on ] O CO 00 01 M to VO to on Ul lb to to to lb Ul 00 on 01 VD ui 00 on 00 VD lb CO to ^J 00

01 Ul on on on Ul on on on on on Ul Ul Ul Ul Ul On on on lb lb lb lb lb lb lb lb lb lb lb lb 00 OJ 00 00 00 Ul Ul OJ 00 Ul OJ

0 VO CO 00 CO CO 00 CO 00 ^3 l lb M M to M M M 0 00 Ul on σ Ol ui Ol lb ui to 0 M 00 ^3 vo VD vo ^1 ui 01 on ui on

VD M 00 cn on cn cn t on CO ro to OJ 00 0 lb 00 O to lb 00 0 M M VO O ] 0 00 cn M 00 to on lb lb CO 00 00 -J 01 on

0 lb CO 00 o lb cn 00 0 to VD VO on M ro to vo O 00 Ul to lb M VO -J lb VD 01 00 0 00 0 VD 0 on to 0 lb o 00 eo 00

OJ OJ OJ OJ OJ OJ J 00 OJ OJ Ul Ul Ul OJ 00 OJ OJ OJ OJ OJ J OJ OJ OJ OJ 00 OJ oo oo OJ OJ 00 OJ OJ OJ oo 00 oo 00 00 o oo vo vo vo vo vo vo vo o VD vo vo vo VD vo vo vo vo vo VO VD vo vo vo vo vo vo VD vo oo 00 00 00 00 00 00 00 00 00 00 00 00 00

OJ OJ OJ OJ OJ OJ 00 CO to to to t to to M M M M M M M M M M o o O o vo vo vo vo vo VD VD 00 00 00 00 00 00 00

TJ J TJ TJ TJ TJ TJ EC EC EC EC EC EC EC EC EC EC Ω Ω Ω Ω > > > 33 33 33 33 33 33 33 H H H H H PH H H PH H P P P P >O i >n in >CO CO > CO cn O O O O O O O P P P P P P P CΛ co CO cn CO cn cn cn CQ cn Ki ι Ki P P P P P P P TJ TJ TJ TJ TJ TJ TJ

O Ω

M M M M M M M M M M M M M M M M oo o M oo O to O vo o o o o -J vo O M M VD VD vo vo co vo 00 o o vo CO CO vo vo 00 CO ui cn on on Ol 01 -J lb VD vo o M vo OJ M vo on OJ lb o M vo M on en to on VD M 00 on on 1 cn M 00 CO to M o o VD VD oo vo O O

O Ul 00 ^1 OO to on ^1 on to lb Ul CO cn M Ul vo -O to O to 00 oo M M on o 00 on o on cn 00 ro on Ol eo CO CO O

Ul Ul ui on Ul ui ui Ul on lb on Ul Ul lb lb lb ui on lb on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo OJ oo oo Ul Ul lb 00 lb 00 00 to M M VO M o o VD o 00 M o VO o vo CO ^1 cn 01 on lb lb eo 00 00 on 00 00 M M M 01 ^1 vo VD

O oi vo vo VO o 00 ^1 CO to on OJ Ol Ul ro 00 to lb to on OJ M 01 on M vo ^1 lb 00 lb OJ vo to Ul o 1 vo vo 00 on

Ul to vo 00 CO UJ cn to o Ul ^1 OJ to o oo ^1 Ol o o vo ^3 Ol O cn 00 M o vo o o 00 on M 00 o CO Ol

M M M M M

Ol Ul Ul lb lb lb Ul Ul on 00 CO -j 01 ui Ul lb M M M M t to Ul lb 01 on on -J ^ -J M VO vo VD vo CO vo CO o M o VD

^J Ol on o on O -0 cn M lb on M to M oo OJ lb 00 -o o lb co co CO lb cn o o cn lb cn vo M Ul en M OJ eo M on lb O CO o on OJ cn O OO to on oo OJ cn o M 00 on to to o lb VD ~3 M M 1 CO to 00 lb oo on M co M o CO VD M to OJ

Ol cn cn Ol en Ol n 01 cn Ol en Ol σi cn cn 01 ^3 ^1 ^3 ^J 1 ^1 ^J cn cn on Ol cn cn en Ol on 01 en on 01 cn Ol Ol 01 Ul Ul ^1 cn co co CO CO CO CO vo vo vo ro to IO M M o o o O vo vo 00 ^1 cn cn Ol Ol on on lb 00 co 00 Ul Ul lb lb oo o on lb lb to o O 01 Ol on M 01 ^1 to o o O on CO M IO to vo eo M to oo 00 vo 00 Ol CO on CO vo CO O O lb cn o co M vo to 00 to ui o CO to ui on CO M O OJ CO on on oo 00 CO eo oo on oo o on to cn on oo Ul 01 lb CO Ul

OJ OO oo 00 OJ oo 00 00 Ul Ul Ul Ul Ul Ul Ul UJ UJ Ul UJ Ul oo 00 oo oo 00 oo 00 OO 00 00 oo 00 OJ OJ OJ 00 Ul UJ Ul Ul Ul oo vo VO vo vo vo vo vo vo vo vo vo VO vo vo vo vo vo VD VD VD VD VD VD vo vo VD VD VO o vo VD VD vo vo VD vo vo VD VD vo vo vo

CO CO 00 oo 00 CO CO 00 _^) ] ] -J ^1 ^1 -J cn 01 cn on 01 oi on O on on on on on on on on Ul on on lb lb lb lb lb lb lb lb

> > > > > > > > TJ TJ TJ TJ TJ TJ TJ P P P P P P P P > > > > > > > > > > > H H H H H H H H

33 33 33 33 33 33 •pa 33 33 33 33 33 33 33 33 ES ES ts rs rs ts ES ES 33 33 33 33 33 33 33 33 33 33 33 P P P P P P P P Ω Ω Ω Ω Ω Ω Ω Ω O O O O O O O G G G G G G G G Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ts ES ES ES ES LS ES ES

3 Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω 3 3 Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 EC IS ES J Ω 03 > Ω ω > O D O Ω 03 EC IS LS CJ Ω 03 Ω Ω M eo M > EC to M > O M M CO ω :»

eo CO co to co CO CO eo eo to to co ro co to M M M M M M M M M M M M M M M M M M M M M M M M M M M lb ui cn Ol on lb oo CO to CO M CO M o o vo vo cn CO 00 ^J 1 Ol M eo CO Ul lb on lb on lb on lb J lb cn ui lb OJ on CO Ol CO oo M 00 M M lb lb lb lb 00 lb lb 00 VD o M CO o 1 CO o o o M 00 eo cn on CO on vo on lb M M M CO

Ol lb Ol on o 00 vo M VD on vo 00 00 lb to lb o ^1 Ul Ol Ul ^3 00 1 vo CO lb cn eo eo to cn 01 vo lb OJ on o vo ^1 cn

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O on ui ui on on on on Ul ui on Ol on on Ol on on ui cn ui Ul Ul on on on Ul Ol Ol cn Ol cn en on on on on on on Ul Ul Ul Ul on oo vo oo Ol on on ^1 01 1 o vo 00 O 00 Ol 00 o CO CO CO 00 00 VD vo M o M to CO M vo CO on 01 OJ 00 lb lb Ul lb

03 M OJ vo o M 00 o o o Ol on 00 to o t o M on O o Ul ^1 on Ul lb M vo on CO 0J OJ O CO CO to 01 CO o CO 00 Ul lb J on vo lb lb to CO ^1 o lb M J lb M to lb o ui lb M o on CO ^1 o vo on o ui M lb 01

M M M M M M M CO M M O VD VD 00 00 oi Ol oi on cn ] 1 ] ] M t o vo 00 ~J Ol Ol 00 Ul lb lb on on on on on lb on CO ^j CO cn on Ul o 00 J CO Ol oo Ul M M oo Ul on lb Ul to 00 M M 00 VD Ul 00 o O VD CO -o on oo CO vo vo lb CO CO on o vo lb lb

^1 O 01 oo ^1 o oo vo 01 oo on ui oo Ol CO M Ul Ul CO 00 lb o 00 00 cn o 00 OJ o lb to lb o M 00 vo on on on Ul on lb lb lb lb lb Ul on on Ul on on Ul Ul Ul Ul ui Ul on Ul ui on cn cn Ol cn cn on on cn cn cn cn 01 on cn cn Ol

00 1 Ol OJ M 1 Ol ~0 00 00 M o o M M to CO Ul Ul lb lb lb on Ol on oo M vo o M M 00 CO CO eo to lb vo M OJ M oo ui 00 vo 00 Ol to lb cn lb VD M Ul 00 00 to VD vo ^J on oo CO OJ on to to ^1 O cn ui CO M on CO on lb lb on Ul o on oo o lb M o vo co CO M cn oo VD lb cn ui eo o lb on 00 CO on vo OJ lb vo on ^1 on cn 00 lb o

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lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo OJ OJ OJ OJ OJ 00 UJ Ul Ul Ul Ul Ul UJ Ul Ul UJ Ul Ul Ul Ul Ul oo Ul 00 OJ 00 OJ OJ OJ 00 OJ 00 OJ oo 00 Ul Ul Ul Ul Ul Ul

VD VD VO VD 00 00 00 00 00 00 00 oo -o -J ] ~J ] ~3 -J ] cn cn cn cn cn Ol Ul on on Ul on on on on lb lb lb lb lb lb lb lb

Ω Ω Ω Ω P P P P P P P P > > > > > > Ω Ω Ω P P P P P P P P > > > > > > P P P P ES ts ts ts ts ts ts ES ω > Ω Ω Ω cn ω cn cn cn > in cn Ki Ki Ki κl ts S t ts t t t t cn cn cn i >n cn ω ω c >n

Ki Ki Ki G G G G G G G G TJ TJ J TJ U TJ TJ TJ in O CO CO CO CO G G G G G G G G 3 3 3 3 3 3 3 3

O Ω 3

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M CO O M M OO t t to OJ M to cn ui Ul lb lb on lb on oo cn Ol lb Ol J vo CO cn on Ol vo 00 CO CO 00

CO ui O Ul lb cn vo ui o M 00 vo 01 lb 01 _^3 to to M M Ul Ul to VD O O M M on lb cn 00 CO cn ^1 M VO o on M Ol M o lb vo cn ^1 on o oo 01 o M on OJ eo 00 VD VO O vo ^3 lb 00 t on on lb o M lb to lb lb lb lb lb lb Ul on on ui on Ul on Ul ui ui Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on on on on on ui on ui Ul ui Ol ^1 CO CO Ul to t o o o o o to o M M VD VD Ul on ^J CO co VD CO vo 00 VD O M M on lb lb OJ to M

^1 00 lb ^1 ^3 oo o on M cn M o M o M lb to 0J VO M to 00 Ul CO M o co 00 00 on 00 on to OJ to to lb CO cn OJ CO 01 vo to M ui CO M to to lb CO Ol Ol cn o o 01 M to 00 lb CO ^1 lb 00 01 o M M M CO oo CO to oo lb Ol o o lb CO to

M M M M M M M M M M M M M M to to to M M M M M M M M M M M M M M M M M M M M M M M M M J lb Ul ui lb Ul lb to 00 00 on Ol 00 o o o CO 00 ^1 Ol on lb lb O o M CO OJ lb on on lb cn Ul lb Ul Ol o lb Ul Ul M CO cn vo vo OJ to o Ul o 00 o CO lb ^1 oo Ul M 1 00 01 01 on cn cn 0J CO o lb on OJ ^1 ^1 to

UJ CO Ul vo Ol M CO oo on o OJ on Ul lb vo o OJ IO OO o 00 en 00 ^1 to ui o to oo lb on o 00 lb CO M Ul VD lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb OJ lb lb lb oo lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb o M CO J lb lb cn on on lb lb lb ui ui 01 01 on lb 0J CO CO vo o M o vo O o o o o M M M M CO M CO o M o oo O O lb on M lb on cn oo on lb o lb ^3 M J CO 00 VD o co 01 vo VD Ul 01 00 lb to OJ lb ^3 CO 01 to vo M VD to on Ul M Ul cn to σi to o OJ vo CO M M Ol M OJ 00 CO CO VD M to 00 O CO lb VD oo O 00 M on M on vo o 1 M

lb lb lb lb lb lb lb lb lb lb lb Φr lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb UJ l J Ul Ul Ul Ul CO ro to to to to to ro M M M M M M M O O O O o O o o

H H H ι9 H H H ι9 H H H J J TJ TJ J TJ TI > l l > > > < < < < < < < H H H H H H H H

Ki Ki Ki Ki Ki Ki Ki Ki K; Ki 33 33 33 33 33 33 33 cn in cn tn cn cn in cn > > > > > > P P P P P P P P

33 33 33 33 33 33 33 33 33 33 33 33 O O O υ O O O TJ TJ TJ TJ TJ TJ TJ TJ P P P P P P P ts ts rs rs rs ES ts ES

Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 o Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2

EC ts ts ts 3 03 > 63 03 CJ CJ CJ 63 03 63 63 03 CJ 63 63 03 to σto M α 6

M to M to M M M to :

to to M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M o lb on oi ^1 Ol 00 oo VD vo vo ^3 oo vo 00 1 1 ^1 to ro 00 lb on on on on 1 00 on lb Ul 00 Ul eo lb OJ co CO

VO vo Ol 00 o to CO M oo 01 ^1 cn ^1 00 to VD o cn 00 to vo lb 00 03 vo CO Ol on eo eo CO 00 vo vo o Ul M Ul vo 01 Ul lb oo lb to cn vo to to 00 o on on 00 00 oo lb CO on cn o vo o o 00 oo M Ol lb OJ VD on to o CO 01 M M ^1 lb o l oo oo 00 OJ 00 oo oo Ul 00 00 00 Ul oo lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ol Ol on on on -J cn 01 ~0 co VD vo t to M to M o M o to M O M CO lb 00 on OJ lb lb on OJ lb vo 00 cn 1 on Ol

VD lb ^1 Ol oo ^1 lb lb on on 01 vo on 00 on to to Ol on cn 00 OJ o o Ol 00 OJ lb Ol o cn 01 o o vo CO lb eo Ul M o lb O co on o lb 1 M ui on 01 00 cn lb oo ^1 M on lb o o lb CO cn 00 lb CO M M lb lb on Ul eo co Ul M 1 lb M vo eo CO M M M M M M M M M M M M to M M M M M M M M M M M M M M M M M M M M M M M M M M o o Ol Ol ^1 CO cn 00 CO vo VD vo vo o vo 00 VD CO Ol on on cn cn cn on on lb M 00 OJ OJ Ul M CO o o vo M M oo lb co co vo VD σi lb M M VD VD OJ vo lb 00 CO o to ro o on CO oo ^3 cn eo CO vo VO CO 0J ui M 0J M M 00 oo M vo oo o lb CO M M 01 o 00 oo vo on CO cn to cn 00 M 00 O lb vo cn to O 0J o on M cn on o cn CO lb lb o M M on o

Ul 00 lb Ul OJ 00 o 00 oo oo 00 OJ oo 00 o Ul Ul 00 00 o Ul oo oo Ul OJ 00 OJ J J OJ 00 OJ 0J Ul 0J Ul lb lb OJ 0J 00 Ul Ul on o CO ^1 ^1 CO ^1 on on Ol on on cn on cn Ol on on on oo ^1 O on Ol on cn cn Ol Ol Ol ^1 -3 M o VD vo CO vo

VD OJ on on 00 on to cn CO vo lb 01 00 on t cn to M U) o o on oo CO M OJ 0J o M on on vo CO on 00 M CO CO -J on vo 00 VD VD o oo M Ul cn to oo j 00 M VD ro to M lb cn 00 to CO o lb lb vo o lb VD eo cn on ui M on vo Ul

lb lb lb ib lb ib lb lb lb lb lb ib lb ib lb lb lb ib lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on on on Ul Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb O O O o o o VD VD VD vo 00 00 ~J ] -J O ^1 cn 01 Ol Ol Ol Ol Ol ui ui ui ui ui ui ui

H H H > > Ω Ω Ω Ω Ω Ω P P P P P P P P TJ TJ TJ TJ T3 TJ TJ TJ T3 TJ TJ TJ TJ TJ

P P P P i >n tn >tn > > in >n i >n 10 Ki Ki Ki Ki Kj Kj ts rs rs t ts tS tS tS 33 33 33 33 33 33 33 33 33 33 33 33 33 33 ES ES ts ts TJ TJ TJ J TJ TJ TJ cn cn in in cn a a a G G G G G O O O O O O O O O O O O O O

Ω Ω Ω Ω Ω O Ω O O Ω Ω 3 O Ω cn Ω Ω 3 o Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω ω CJ CJ Ω ω > Ω 03 > CJ CJ Ω 03 > Ω 03 > a Ω 03 > CJ M to > to M to M

to to to CO to t eo to t to eo t to to to to CO to to to to to M M M to ro to to to CO eo to CO CO CO eo CO CO CO M CO

00 Ul M Ul 00 CO lb 00 o M M ro to to M to on lb o ro to to vo 00 VD o M ro ro ro on on i lb J M CO o M to vo o

M lb 00 eo ^1 vo O M 00 on Ul on O vo on on M on oo on vo lb to 00 00 ui en on on vo oo CO oo Ol on OO CO M on vo to vo CO M CO 00 VD Ul o lb o J 01 OJ 00 M 00 o O M M on o M to M o to vo 01 o VO oo M 00 o CO lb o M to to CO eo Ul co 00 eo CO CO to to to to 00 0J 00 oo 00 00 00 Ul OO OJ oo oo OJ 00 00 00 00 00 Ul 00 00 Ul Ul 00 oo OJ OJ oo

00 vo VD O VD o vo cn ^J vo vo M o oo to M t o M 00 CO CO M to oo on lb on on lb 01 ui cn CO CO 00 CO lb o vo oi M Ul CO vo CO Ol M CO oo oo O vo to to lb M 1 VD O 00 cn to 00 lb M M VD M eo on Ul ^1 vo vo -0 o

M vo ^1 o VO VD lb vo o Ul 00 00 on 00 to oo cn 00 o cn o on co Ul vo VO en to O VD 1 Ul t lb lb ^3 CO CO o 00 vo M

Ul Ul Ul Ui Ul Ul 00 00 oo 00 00 00 OJ oo OJ 00 to UJ to to to to to eo to t eo to to to CO eo to to CO CO CO CO CO to CO CO VD ^1 cn on 00 00 0J ui 00 to to M M o CO o VD CO on lb lb on 01 on Ol on lb ui lb lb lb Ul oo lb lb OJ to to o ^1 vo Ol eo M Ol vo lb o oo oo 00 on Ul vo 00 M 1 CO M on on O 00 00 Ol Ol on Ol M o on o o ui on M M o cn o to o 00 vo oo lb Ul l o lb lb M vo CO vo o on on o to lb on o lb vo to lb o 01 M Ol lb M M o 00 CO CO M lb ^1 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo lb lb oo Ul 00 00 OJ Ul oo 00 00 oo oo 00 00 00 00 Ul Ul 00 00 00 OJ OJ co oo ^1 on on lb lb lb ui on lb lb 00 to ro 00 o o vo 00 CO ^j 00 Ol 01 ^1 Ol 00 on on on on Ul on oi on Ul on

M on vo cn 01 -0 on on on lb O Ul ^3 M oo lb M M O CO M CO M 01 M on 00 on M M ro oo O o vo on oo vo Ul lb ^1 CO on 01 vo M on o cn O VD M to oo -o o 01 cn M o o 00 on Ul OO CO 00 00 oo 0J CO CO CO oo Ul Ul

lb lb lb lb lb lb lb ib lb lb lb ib lb lb lb ib lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb ib ib ib ib ib on on on ui ui ui ui ui Ul Ul Ul Ul Ui Ul Ul Ul Ul Ul Ul Ul Ul on on on on on on on Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul

01 01 on ui ui ui Ui ib lb lb ib ib ib lb lb lb lb 00 oo 00 Ul oo oo CO CO to eo M M M O O

> > ι9 ι9 H H H. ι ι >9 •9 •9 ι •9 ι9 ι ι-3 ι9 >9 ι9 ι9 tΛ cn cn cn cn in Ω Ω Ω Ω P P P P P P P P P H H P P EC EC EC EC EC EC EC Ki Ki Ki Ki Ki Ki Kj Ki κ; κ; κ; iS IS tS ES IS ES P P P P κi κi κ; κi κi κi κ! κ; κ; c-ι t-ι > > 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 3J 33 33 3J 3J 33 33 33 33 κ; κ; κ; κ; co cn cn cn cn cn cn cn cn ts rs

Ω 3 O Ω Ω O Ω Ω O Ω O Ω Ω Ω Ω Ω Ω Ω Ω O Ω O Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω

> 63 63 03 > EC CS LS LS D Ω 00 > Ω 03 > rs ts α Ω 03 > co M to α CO M > 3 O Ω 3 3 O Ω

CO to to to to eo eo eo ro ro to oo J OJ OJ OJ J to to ro to to to CO to to co to to CO CO eo to 00 00 to to to t CO eo to

Ul on ^ Ol lb on lb on cn on on 00 ro M o M o VD 00 ~J -O 00 l on ui o vo 00 vo oo ] -J to M vo vo ^1 _^) on on on

00 on lb to lb 00 vo ^1 03 ] ] o o o o vo VD VD 1 co lb to Ol eo ui o cn on oo 00 oo Ul oo M 00 00 lb vo OJ vo ^ CO

^1 M M vo 0J o ui on o on M vo on ] OJ VD OJ UJ ] ] o to to 00 lb on ^3 lb 01 VD lb co oo M on Ol oo o 00 to 0J eo

CO to to eo CO eo CO to ro to to to eo to to to to to to to to to to to ro ro to to to eo to CO to 00 Ul OJ 00 00 OJ 0J eo oo o M to eo lb on lb 00 Ul to to oo CO to M OJ OJ to to 00 0J on ui 01 ui on cn on 01 ^1 vo vo vo to Ul OJ to eo M M vo o 1 lb ^1 lb VD to 00 o ui oo vo to vo o 1 on OJ lb M 00 CO vo o on n lb cn ui on oo M Ul ι cn ^1 on U) to o o M o cn CO o o -J ^1 00 on Ol on CO on on CO o to o lb cn lb 00 VD VD M eo M lb ^1 CO M ui on M 01 on oo 00 oo M on -0 to to to CO Ul to CO co Ul 00 00 oo OJ 0J 00 0J 00 Ul OJ 00 0J 00 00 00 00 OJ 00 00 00 Ul Ul oo 00 00 Ul OJ 00 oo oo 0J oo oo

Ol 1 ^1 oo o oo CO vo o M M cn on on lb lb 00 Ul CO CO 0J 00 lb lb on on cn cn Ol on 00 o 00 CO CO ] ] cn 01 on 01 to lb on o eo 00 vo 00 to VD on M oo Ol 00 o to on cn lb ] on eo lb lb on M oo o Ul lb lb o lb lb Ol ui ^3 00 on M

Ul 00 M Ul on M 00 CO CO VO on ] M vo to co IO 00 01 Ol 01 00 o ] ] CO Ol lb on eo ^1 cn to 03 o lb to Ol co o lb CO

00 OJ OJ 0J oo lb lb Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on Ul on on lb lb lb lb lb

^1 ^1 CO 00 vo O o vo vo O o oo OJ t M to to M M o M M co 00 OJ OJ lb -J Ol ι CO VD 00 00 to to o vo 00 o ] J

Ol ^1 on 00 01 Ol o lb o M M M M ] vo ] M 1 M ^1 -J -J cn vo CO ] -J o 01 Ul UJ M -0 00 on M ^ 00 00 00 to to

^1 vo o cn o Ul 00 00 on O on ro Ol Ol M Ol M M ui ro o vo CO 00 lb M oo Ol on ^1 01 on to lb lb on 00 o CO vo 00 on

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb lb lb

01 01 on 01 cn on 01 01 Ol Ol on on on on on on on Ul Ul Ul Ul ui Ul ui Ul Ul Ul ui ui ui on on on on on on on on oπ on on ui o o o o o o o o o o vo o vo vo vo vo vo vo VD CO 00 CO CO CO CO CO 00 CO CO CO ] ^3 -J ι ^ι ~j _{^ ^} -3 cn σι oι

EC EC EC EC EC EC EC EC EC EC Ω Ω Ω Ω Ω Ω Ω Ω Ω TJ J TJ TJ TJ TJ TJ TJ TJ TJ TJ Ω Ω Ω Ω Ω Ω Ω Ω Ω >

H H H H H H H H H H P P P P P P P P P EC EC EC EC EC EC EC EC EC EC EC P P P P P P P P P P P P cn cn cn cn cn cn in cn cn in G G G G G G G G G LS LS ES ES ES LS t ES rs rs rs 2 2 2 2 3 3 3 2 2 |>

O Ω O Ω Ω Ω Ω 2 O Ω Ω tS CJ Ω 03 > 03

M M t to to eo CO to to eo CO CO M eo co eo to to to to to to t to to t to to to to t to to to to to CO t CO CO CO IO

00 vo OJ 00 to M M o o o CO M 00 M o o M M ro M ro ^1 Ol ^ on Ol lb 00 OJ OJ on lb to lb OJ OJ Ul lb Ul 00 lb cn

O o M lb OJ oo Ul o to Ul Ul lb VD M M co M UJ lb M t Ul lb to to o vo Ol on lb en lb to lb 0J o vo M o ui -0 to on M lb M 1 00 VO VO lb oo lb Ul 00 00 OJ ^1 M M Ul lb Ul OJ vo VO M o on o o o to on lb to o vo on M vo 1 lb t

M M M M M M M M M M M M eo to CO to t M M M M M M M M M M M M M M M to to to to to t CO eo CO M oo 00 lb on on lb on σi ] oo oo oo 0J OJ CO M o VD co oo oo on 01 cn 01 O as 01 CO VD vo vo lb lb 0J to CO o o o o vo oo on Ul o oo -J oi 00 co 00 oo ] CO lb ] CO ^1 to 00 cn Ul VD M o 00 to lb co OJ M Ul ^1 M M cn to M cn cn vo CO 00 oo M Ol lb M M OJ Ol CO lb o cn oo ] o oo 00 M cn M vo on oo o co lb 00 0J o cn ^1 ui on 00 M ^! M n CO ^1 o M

M M M M M M M M M M M M M M M M M M M M M t to to t M to to M to to to M to to to to to CO to IO CO

OJ to U) to to lb 00 00 00 ui lb ui on cn on ui ^1 -J ^1 vo vo M ro o t VD o o vo M M M VD o o M to CO OJ ui on Ol on vo VO 00 cn lb on Ul cn o VD Ul o o VD 00 o o CO cn M ^1 Ol 00 M vo ^1 00 vo M OJ 01 oo oo J M J co o ui CO on ! 00 VO vo t lb CO Ul to o ] cn on M co VD Ul o on oo 00 to t 01 on o VD o oo M lb vo M on vo o J ^1 Ul CO eo J lb lb OJ OJ 00 Ul lb lb lb lb 00 lb lb lb lb lb lb lb CO UJ 00 lb lb lb lb lb lb lb 00 OJ Ul 00 00 oo OJ Ul OJ 00 oo oo oo J

M M 00 vo vo vo o o M o VD o o M M M o o VD oo vo M o o o o M o vo vo co co oi Ol oo ^1 ] oo co ^1 co ] on lb vo o ro o o 00 o -J on Ul -J vo VD Ul M Ul 00 on cn o J ^1 cn on o OJ cn o to ^J on CO M 00 00 Ul CO CO M lb to ^1 o lb ~0 lb CO VD o lb ^1 CO 00 on 0J oo Ol VD cn lb on on oo ^3 ] oo o cn vo CO on on ui CO on lb cn vo CO OJ lb 00

on on

l» l D l» l 3 33 33 > •pa 33 > P P P P P P P P P P P P P P P P H »-3 i-3 H eg hβ

33 •pa •pa 3 S3 33 •pa rs rs IS rs IS ts t rs rs IS t IS rs rs IS ts P P P P P P P P EC EC

63 63 63 63 Ω 63 63 63 63 63 63 G G G G a G G G G a G G G a G G ts rs ts t ts t LS ES 33 33 33 33 33 33 33

Ω Ω 3 3 Ω 3 Ω Ω Ω Ω 3 o Ω Ω Ω Cl Ω Ω 3 o Cl Ω Ω Ω Cl Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω O Ω Ω 3

EC EC ts ts J 63 03 > J J 63 CO O CJ 63 63 03 to > CJ 63 ω to > > Ω Ω 00 to

co eo o vo vo vo vo o ro to on on vo vo to vo vo o oo on on co cn o M cn to on cn o o to on cn o vo on eo _^) cn cn eo on to o o on o to to on

on o on vo cn o o on on o to o cn on on eo oo vo Ul 00 o o to o ^1 o oo on on M M M M o to o o on o o vo ι cn cn on on cn vo ro to vo o vo o on

cn cn on cn en on ui ui on on on on on on ui on ui on on on on eo o vo on cn cn on oo o o co oo oo oo oo to co o o on on oo -o to cn o cn to oo o o to oo cn o on oo o vo o oo on ui on to o to to

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

^3 1 ! -J 1 ] ^1 ] ~J 1 -J ^1 ^3 Ol Ol 01 01 on 01 on Ol 01 01 cn cn cn on cn cn cn Ol 01 Ol 01 01 Ol 01 01 cn on cn Ol

M M M M O O o O O O O O O VD vo vo vo vo vo vo vo VD co oo co 00 00 00 -j -j -J ^1 ^1 _^) -J. Ol Ol 01 Ol σ 01 Ol

< < < < Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P Ω Ω Ω Ω Ω Ω H ►9 ^►9 H H ^■9 H TJ TJ TJ TJ TJ TJ J

> l» > > P P P P P P P P P Ki K) Ki Ki j i Ki Ki i Ki Ki Ki Ki Ki EC EC EC EC EC EC EC 33 33 33 33 33 33 33

P P P P G G G a G G G G G ω cn cn cn (Λ cn cn n cn (Λ cn in cn cn in 33 33 33 33 33 33 33 υ υ υ υ O υ υ

Ω Ω Ω 3 Ω Ω Ω o Ω Ω Ω Ω 3 Ω Ω 3 Ω Ω Ω Ω Ω 3 Ω Ω cn Ω Ω 3 Ω Ω Ω O Ω Ω 3 o Ω Ω Ω Ω Ω 3

6J 03 > rs rs J Ω 03

M > rs IS O 63 03 > 63 03 > 63 63 CO

CO M > 63 ω

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M M M M M M M M M M M M M M M M M M M M M M M M M M M VO CO co ^1 01 en co Ol ^1 Ul Ul 0J lb OJ M to M CO M M M O o CO M o vo CO CO 00 vo 00 ι ^1 on cn on on Ul ^1 ^1

00 ^J o to O to lb CO to o Ol lb VD o lb Ul O cn M Ol VO OJ M on lb 00 o 00 0J lb M vo Ol oo lb eo vo lb vo OJ M CO OJ 00 o M lb eo on 00 to M vo oo OJ Ul lb IO Ul OJ eo cn lb oo on 00 vo eo o vo o 00 ^3 01 CO CO cn CO 00 CO to

OS

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M M M M M M M M M M M M M M M M M M M M M M M M M M Ul to 00 ro lb CO CO oo CO CO CO to M VD O vo VD M M o o o M o CO CO CO vo ] CO 00 00 00 CO o vo o 00 CO M OJ to

Ul OJ eo lb M vo vo M CO on oo O vo 00 Ul CO CO Ul on oo co eo o vo o CO M M eo oo ^1 eo Ol o lb oo vo on CO O 00 M o O o M 00 ^1 ^ to ^1 VO oo lb oo CO OJ M Ul CO M ^1 00 lb lb 0J to 00 to vo ui eo CO 00 eo O O 00 M

M M M M M M 1 M O vo oo O ^1 00 CO 00 on ui cn ^J ^ -o OO to M O vo 1 ι on Ol oo lb on lb lb 00 o M M to CO UJ CO M M to M CO lb lb 00 lb o co Ul o lb VD to ^1 on cn to J 00 00 o o 00 eo o O on to co O co M UJ 1 O CO Ol Ul

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VD VD VD M to eo CO eo oo oo 0J 0J lb 01 01 Ul cn cn cn 01 00 vo o lb to M eo eo to 00 00 o eo Ul Ul Ul to to CO CO CO

^1 Ol CO O Ul ui on vo M o t lb CO OJ to lb M lb CO vo M to M o 00 M 00 O on O vo ro CO Ul VO vo cn lb lb CO on O CO Ul on to M lb oo CO on VD lb to CO 00 vo 00 VO M cn M oo o oo lb cn 00 Ol M ^1 CO o o Ol O on vo cn oo

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

-O -J O ^1 ] 1 ^1 ^1 ^1 ι ] 1 ^J -O l -J ^J 1 -j ] -J -o ^ -0 ] 1 ^J ] -J -o o ^1 1 -J ^1 -J _^) ^1 -J ^1 ^1 ^1

-J -J ] 01 Ol Ol Ol Ol 01 Ol 01 ui ui ui ui lb lb lb lb lb lb lb lb lb lb lb 00 Ul Ul UJ Ul Ul to to CO CO CO CO CO M M M

> > l > > Ω Ω > tn cn cn i > > n cn > in i >n c >n c > Ω Ω n > > > > > > > > > > CO co co cn n cn < < < < < cn < < cn P P P P ^•pa ^•pa 33 33 33 33 33 33 ^•pa 33 33 rs ts rs rs t rs > > > > > > > > > >

TJ TJ TJ TJ J TJ TJ TJ TJ TJ TJ Ki Ki Ki 63 63 63 63 63 63 63 63 63 63 63 33 33 33 33 33 33 P P P P P P P P P P

Ω Ω 3 O Ω O O Ω Ω Ω 3 O Ω Ω 3 O Ω 3 3 Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω 3 o Ω Ω Ω Ω Ω 3 O Ω Ω

03 > CJ 63 00 03 63 to M O > > EC EC ts t eo D 63 ω

M > 63 03 > 63 63 CO M > to

Ul Ul Ul OO CO OJ OJ 00 OJ IO to CO to to to CO CO to t ro to t to to to CO CO CO CO to to CO to eo M M M M M CO M M

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O Ul o CO vo M o cn Ul lb CO CO cn o -o VD -o o M oo ] M to en lb 1 OO l lb Ul on to O O oo 00 o cn CO CO M oi

Ol M Ul Ul on M oo lb Ul OJ cn vo M CO ] OJ VD lb Ul ro Ul OJ lb O lb oo cn o ] CO lb OJ Ul vo CO OO o CO M 00 on VD

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

Ul M M VO vo vo o vo oo VO o o o to to CO to o M o o O o M OJ lb on on ! ] Ol Ol ui on cn ^1 01 ui lb 00 OJ M

M ^1 M o CO lb Ul 01 cn OJ lb to CO O oo CO -J on to ι lb 01 Ul ~j O M as OJ lb 01 lb o OJ on oo on oo M on O cn lb

Ul to lb CO eo -o M eo on lb -O CO Ul lb 01 00 Ul 00 lb ^1 vo Ol Ul lb to 00 lb Ol lb CO lb OJ 01 oo O O cn lb lb 00 to 01

M M M M M M M M M M M M M M M M M M M M M M

Ul Ul CO 00 CO CO O vo o O o M o VD o oo VD lb lb 00 to to O o O VO VD vo O VD 00 00 Ol on lb cn on Ol ~0 CO 00 M

Ul O lb CO OO on ui -0 M VO to to lb ^1 t eo lb to 00 VD -J to ! o M lb vo 00 Ul lb 01 M M 00 Ul -j ^1 lb Ul CO OJ O lb Ul VO M lb 00 M OJ VO CO lb vo vo to Ol lb on lb on lb M Ol lb 00 O O -J VD ui vo to o CO oo lb oo on Ul M CO o CO lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

UJ Ul lb on on vo vo oo ^1 on on lb lb lb lb Ul oo on lb Ul lb 0J OJ 00 OJ OJ lb lb J Ul OJ 0J CO lb Ul on ui Ul Ol Ol ~J VO

-J CO ^1 lb cn IO o en CO VD M 00 01 Ol t ι -J 00 M lb to CO to CO VO 01 lb 00 VD 00 VO VD o t M on ui o M 00 -J 00 to to CO oo vo lb ^1 lb lb Ol oo 00 M M Ol lb O ^1 VO Ol o 00 on M 0J oo eo M Ul t on -0 M ~J Ul o CO Ol M 00 to M

477 ASP CG 30..21 14..00 12..57 43..63

477 ASP ODl 29. .05 13. .65 12. .29 43. .09

477 ASP OD2 30. .73 15. .04 12. .12 42. .30

477 ASP C 29, .37 11. .72 14. .76 43. .38

477 ASP O 29, .56 11. .34 15. .92 43. .61

478 TYR N 28, .18 12, .12 14. .33 42, .51

478 TYR CA 27, .02 12, .13 15, .22 41, .84

478 TYR CB 27, .17 13, .19 16, .31 41, .13

478 TYR CG 27, .17 14, .62 15, .79 40, .99

478 TYR CDI 28, .32 15, .18 15, .23 40, .62

478 TYR CEl 28. .32 16. .48 14. .71 40. .30

478 TYR CD2 26. .01 15. .39 15. .82 40. .27

478 TYR CE2 25. .99 16. .69 15. .32 40. .21

478 TYR CZ 27. .15 17. .23 14. .77 40. .54

478 TYR OH 27. .12 18. .51 14. .25 39. .79

478 TYR C 25. .76 12. .41 14. .41 41. .94

478 TYR O 25. .90 12. .83 13. .24 42. .44

478 TYR OT 24. .66 12, .23 14. .97 41. .41

701 HOH 0 36. .94 20, .62 28. .18 32. .46

702 HOH 0 29, .79 32. .05 25. .88 33. .61

703 HOH o 34, .15 15. .45 27, .61 34. .04

704 HOH 0 24, .82 3_,0. .55 16, .46 32. .19

705 HOH 0 40, .82 19. .24 17, .80 36, .86

706 HOH 0 30, .07 39. .31 16, .26 27, .58

707 HOH 0 21, .10 40. .80 -2, .77 35, .67

708 HOH 0 27. .68 37. .38 21, .96 32, .00

709 HOH 0 21. .09 42. .58 23, .79 37, .32

710 HOH 0 26, .83 28. .01 20, .43 33, .86

711 HOH 0 24. .41 37. .42 20, .70 37, .09

712 HOH 0 22. .71 46. .96 19, .66 45, .27

713 HOH 0 33. .47 35. .31 8, .59 33, .71

714 HOH 0 35 .55 23, .34 34, .70 38, .97

715 HOH 0 42 .06 36, .70 17, .76 40, .08

716 HOH 0 37 .32 30. .57 28, .08 32, .41

717 HOH 0 16 .46 35. .73 22 .67 33, .68

718 HOH 0 16 .36 32 .95 9 .26 34 .07

719 HOH 0 29 .85 39 .59 6 .04 33 .74

720 HOH 0 44 .93 19 .34 25 .06 19 .39

721 HOH 0 17 .45 9 .35 16 .44 41 .43

722 HOH 0 38 .23 35 .79 20 .75 27 .48

723 HOH 0 28 .43 28 .31 8 .36 35 .99

724 HOH 0 1. .35 5. .28 3, .92 49, .61 725 HOH O 32..41 39..60 22..12 29..27

726 HOH O 30. .46 27. .66 34. .16 37. .67

727 HOH O 12. .09 44. .83 2. .50 48. .84

728 HOH O 25. .73 54. .54 13. .72 30. .68

729 HOH O 9. .02 28. .34 3. .97 36. .03

730 HOH O 39. .73 27. .05 33. .00 39. .01

731 HOH O 30. .85 52. .93 7. .98 41. .58

732 HOH O 14. .02 38, .40 14, .01 35. .61

733 HOH O 36. .81 38, .14 27. .50 46. .60

734 HOH O 27, .77 22, .96 37. .64 36. .92

735 HOH O 28. .68 36. .58 -2. .19 37. .66

736 HOH O 21. .73 28. .58 -4. .90 36. ,36

737 HOH O 4. .11 3. .47 1. .12 44. .85

738 HOH O 35. .48 15. .18 37. .46 41. .80

739 HOH O 5. .83 28. .07 0. .29 51. .63

740 HOH O 19. .18 32. .60 9. .88 39. .34

741 HOH O 8. .16 4, .02 0. .81 47. .12

742 HOH O 33. .99 47, .85 11. .89 41. .02

743 HOH O 32, .97 50, .65 14, .20 41. .59

744 HOH 0 27, .86 39. .53 3, .23 40. .04

745 HOH 0 32, .63 12, .31 34, .67 40. .46

746 HOH 0 22, .24 43, .14 -3 , .44 35. .31

747 HOH 0 32, .51 43, .01 16, .10 35. .18

748 HOH 0 33, .16 30, .79 30, .52 42. .11

749 HOH 0 35, .17 40, .80 10, .82 37. .90

750 HOH 0 3, .19 2, .46 9, .30 50. .05

751 HOH 0 31. .05 14, .78 17, .98 47. .06

752 HOH 0 39 .95^" 28 .01 7, .00 43. .01

753 HOH 0 0. .05 37 .22 21, .20 49. .33

754 HOH 0 11 .79 31 .79 -3, .22 47. .64

755 HOH 0 5 .12 1 .55 5, .04 45, .30

756 HOH 0 27 .15 37 .33 35, .05 46, .26

757 HOH 0 15 .02 45 .19 20 .09 42, .01

758 HOH 0 45 .32 35 .57 22 .62 37, .71

759 HOH 0 46 .38 39 .18 17 .46 51, .12

760 HOH 0 44 .90 23 .80 16 .31 32, .97

761 HOH 0 28 .69 17 .20 -15 .39 44, .52

762 HOH 0 12 .45 38 .76 24 .16 47, .14

763 HOH 0 17 .66 6 .21 29 .03 39, .95

764 HOH 0 37 .99 17 .34 20 .88 41, .10

765 HOH 0 27 .47 54 .04 16 .57 40, .36

766 HOH 0 18. .50 41 .69 27, .26 44. .43 767 HOH O 48..16 33..42 16..66 46,.39

768 HOH O 25. .95 12. .86 45. .54 38, .25

769 HOH O 34. .20 30, .80 -2. .51 42 .06

770 HOH O 0. .85 5, .39 15. .78 50 .52

771 HOH O 28. .98 34, .25 34. .92 48 .43

772 HOH O 6, .43 43 , .15 23. .98 42 .87

773 HOH O 31. .75 9, .46 19, .25 44 .66

774 HOH O 44, .97 16. .38 17, .07 43, .23

775 HOH O 38, .03 40. .76 25, .66 44 .48

776 HOH O 45. .04 28, .01 11, .64 41. .23

777 HOH O 4, .13 16, .78 27, .73 36. .96

778 HOH O 17, .16 37, .42 30, .90 40. .33

779 HOH O 24. .45 32, .97 38, .26 44. .43

780 HOH O 28, .51 48, .31 25. .02 44. .61

781 HOH O 41, .65 25, .63 4, .39 47. .55

782 HOH O 10, .93 24, .06 5. .08 41. .02

783 HOH O 18. .14 -1, .30 6. .78 49, .70

784 HOH O 44. .77 35. .32 15. .13 43, .24

785 HOH O 40 .61 39 .27 12 .63 50 .95

786 HOH O 37 .31 40 .36 14. .56 41. .58

787 HOH O 37 .44 12. .57 24. .85 48 .57

788 HOH O 9 .18 31 .78 1. .44 45 .75

789 HOH O 40. .51 8. .50 23. .84 45. .33

790 HOH 0 23 .70 63. .66 5, .96 44. .03

791 HOH 0 21. .31 10. .55 40. .15 42. .78

792 HOH 0 40. .59 20. .06 41. .22 44. .08

793 HOH 0 39. .79 1. .25 6. .02 44. .72

794 HOH 0 34. .90 33. .44 -0. .12 48. .27

795 HOH 0 -0. .26 27. .85 17, .92 46. .08

796 HOH 0 -0, .50 1. .22 15, .22 43. .13

797 HOH 0 -1. .24 30. .90 22. .55 44. .72

798 HOH 0 23, .49 35, .80 4, .20 36, .20

800 HOH 0 24, .63 9, .12 23. .35 44. .46

801 HOH 0 30 .88 11 .02 25 .26 46 .26

802 HOH 0 33 .88 16 .42 23 .07 44 .76

803 HOH 0 20 .15 7 .36 21. .27 44 .06

805 HOH 0 36 .71 17 .70 6 .54 41. .39

806 HOH 0 22 .43 7 .78 21. .26 47 .15

807 HOH 0 37 .44 24 .75 35. .89 49. .68

808 HOH 0 18 .53 5, .90 26. .64 43, .01

809 HOH 0 34 .51 14, .24 -0. .10 49, .92

810 HOH 0 24, .64 8, .02 34. .01 41, .07 cn cn on cn Ol O Ol cn en cn cn oi Ol on Ol cn cn cn en on on on co 00 oo 00 CO CO 00 oo oo o o o o o o O o o o o o o o o o o o o o o o M M M M M M M M M

M M M M M M M M M M M M M M M M M M M M t M vo oo ^1 Ol Ul lb oo CO M to 00 OO 00 Ul 00 OJ oo 00 OJ 00 00 00 00 OJ Ul OJ OJ 00 00 Ω Ω EC EC EC EC EC EC EC EC EC o ] l -J o ^1 ] ^1 ^1 ^j O O O O O O O O O

M M M M M M M M M M M M M M M M M M M M to o CO EC EC EC EC EC EC EC EC o EC

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M M M M M M M M M M M M M M M M M M M M M M CO CO lb oo 00 oo M on Ul cn lb Ol Ol Ul on ^1 on Ol CO on Ol 1 00 Ol on eo lb O on VD lb cn 00 vo

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M M M M M M M M M lb lb lb lb lb lb lb lb oo OJ OJ OJ ui ui Ul co to to to to eo eo to co M

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Ω O Ω Ω Ω S H O Ω Ω O Ω Ω 3 O Ω 3 O Ω Ω Ω Ω o Ω Ω Ω Ω Ω 3 Ω 3 O Ω 3 Ω Ω Ω Ω o α J 63 03 > Ω Ω ro > ES LS C3 Ω 03 63 63 is IS CJ Ω 03 s to M to M to M to M ω > >

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M M M M M M M M M M M to M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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CO o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o

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P P P P P P P P 33 33 33 33 33 33 33 r ES ES ES ES ES ES 33 33 33 33 33 33 33 33 33 33 33 33 33 33

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O Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 0 Ω Ω Ω Ω Ω 3 O Ω O Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω

CJ 63 63 03 Ω Ω 03 > Ω 03 > Ω 03 > σ Ω 03 > CJ

M M to > Ω « o to M

to to 00 to to to OJ 00 00 00 00 OJ Ul 00 00 00 00 OJ 00 Ul 00 00 Ul 00 lb lb 00 Ul 00 OJ 00 00 00 OJ lb lb lb lb lb lb lb lb vo vo 0 VD 00 vo 0 M eo ro 00 to Ul lb lb lb on 00 en -0, 01 0 1 -J 0 0 00 00 vo 00 00 ^1 00 VD 0 M M lb Ul CO lb 00

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M M M M to to CO CO eo to eo to to CO to ro to ro to to eo eo eo to CO to to to to eo to CO ro ro CO ro eo eo eo eo eo to

-j 00 VO VO o co eo CO on on oo on lb eo OJ on 0J cn 00 on lb OJ oo 00 lb 00 M M to eo 00 to CO Ul lb oo lb lb Ol ui on on on M M 00 vo o ι CO vo 00 VD on to M OJ to CO o OJ on M cn ^j O 1 on Ol cn lb ] lb OJ M vo vo oo Ul lb lb lb 00 O o cn 00 OJ o o CO on lb eo on VD CO lb o ro lb 00 lb l VD lb ^1 00 on vo M o to CO M lb cn on M cn 00 o 00 00 to to as

OJ o M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M vo VD O O M M OJ CO 00 M CO 00 00 00 OJ VO VD CO CO ! ^J Ol lb lb lb lb 00 eo 00 lb on o cn ] on on on to Ul 00 00 on to to lb OJ J CO 0J CO M 00 o cn M CO cn lb to on to lb OJ M CO CO O on 00 lb CO O lb oo J lb 01 ~j 00 oo to o 01 M on on to o Ol CO on CO -J M lb on lb ^1 ^1 M on M M M 01 M ^1 VO M to M eo OJ lb lb ib 00 00 VD vo o Ul 00 o o

1 1 1 1

1 I 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 M M 1 1 1 M M

M o o M M o M o o o o M M to ro lb lb lb 00 oo 0J eo ui lb ui on 00 01 ^3 01 -J ] -J CO VD M o VD vo vo M M lb M o lb ^1 00 CO cn eo CO lb M 00 to M -J Ul o ] 00 M 00 o OJ Ul on Ul to CO ] ~J to co vo 01 o Ol ui eo vo 0J oo

00 o vo lb on o M M to lb M ] on M co M Ol co VD to J ] VD on 00 O oo Ul vo on on M vo cn co lb oo CO 01 Ul lb vo

^1 ^1 ] ^1 ^1 cn Ol cn cn Ol Ol Ol cn on cn cn Ol en cn cn on cn Ol J -J ] ^J ^1 1 ] ] ~J -J o 1 -J ] ~J ] ^3 ^1 J to M M O o vo CO vo 00 CO OO 00 oo VD VD on Ul on on on on -j VD o M O o o M M eo to to oo lb On Ul oo oo oo 1 O to 00 lb O 00 on oo o on on VD ^1 vo o o to o M on ! CO -o. M o M CO ui ui o CO M cn 00 01 -0 Ul ui lb -J o o OJ oo 01 M O Ol on o oo 00 cn O o M cn lb M 00 01 vo M co on M on 00 VD ] M Ol on CO lb to lb oo CO 00 oo VD vo lb Ol

M M M M M M M M M M M oo OO O oo OJ OJ J OO oo oo oo oo oo oo oo 00 00 o 00 Ul Ul Ul Ul Ul Ul Ul UJ UJ Ul Ul ui ui ui

--3 ^1 Ol 01 Ol Ol cn cn on on on on on lb lb lb lb lb lb lb lb UJ Ui Ul Ul J CO CO CO CO β β Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P KJ P P P P P P P P P K; K; Ki κl Kj ; P P P P P P P P P P P P P P P P P P P P P KJ KJ K; 33 33 G G G G G G G G G cn ω cn cn cn cn G G G G G G G G G 2 2 2 2 2 2 3 2 3 κ! κ; κi κ; co cn tΛ

Ω 2 Ω Ω O Ω Ω Ω Ω Ω 2 Ω Ω CO Ω Ω 2 Ω Ω O O Ω Ω Ω Ω 3 0 Ω 3 0 Ω Ω Ω Ω 3 0 Ω Ω 3 O Ω 2

> CS LS S 03 ES CS ϋ Ω 03 > > t CO to > M α 63 ω > 63 ω > LS E M σ 63 to M

M M M M M M M M M M M M M M M M M M M M M M to M M M to M to M to to t M O O O O M M to on lb lb lb cn on 01 Ol Ol Ol cn Ol ] ^1 co o vo vo VD o VO o VO o o t Ol

00 on vo M O lb 00 VO on vo to O O to CO o vo on oo t lb vo ^1 lb oo M O on t VD ui 00 lb lb Ol to oo o 00 ~J to on VO to O M M 0J 01 M o lb 01 o to ^1 o CO lb ^1 01 CO -J lb Ul on vo O ^1 o

oi σi on ui to oo ib on oi σi σi en co σi vo oo co cn co oo vo vo

M Ul Ul -J on to 1 lb vo M o M -0 ^1 t o lb cn lb on Ol M M Ol 01 lb Ol lb lb on on CO OO M lb cn lb M lb

M M 00 00 01 cn ^1 vo 00 Ul vo vo Ul ^1 00 ^1 VD to co lb VO lb 00 M vo o 00 vo to 00 CO vo CO CO oo Ul M CO co eo eo

M M M M M M M M M M 1 M O M O co ^1 CO 00 vo vo o CO oo M o vo oo 1 ι to to to lb Ul cn -J co 1 to to M o vo ^3 ^3 on cn on lb oo 00 M lb O Ul lb vo M O O M to lb 00 VD 00 OJ OJ oo 1 o Ul CO to to o o o o CO Ul o OJ CO UJ eo o on M 00 M cn

00 M 00 VD on CO cn on en 00 vo oo eo o lb lb o on to lb ^1 o lb M o Ul to eo to eo on en M 00 M M lb oo ui cn

00 00 oo 00 CO CO 00 00 CO 00 -0 1 1 j ^1 1 ^1 ^1 1 ^J ^1 ^3 ^3 ^1 ^ -J ^1 ^1 CO M M M oo oo to to M o vo oo oo 00 00 00 cn on on cn 01 Ol on Ul on lb OJ Ul 0J UJ Ul oo oo l CO CO CO M M o o CO

Ul 00 CO M O M vo oo lb oo oo -3 ^1 M to o CO vo oo 00 M CO 00 00 lb o on ^J VD en Ul eo eo 00 on vo o on cn -3 O O M on oo M cn eo CO M lb 00 o oo to CO on OJ M M to 00 o on on CO CO Ul ^1 eo M O 00 eo eo cn 00 Ul CO

M M M M M M M M M M M

Ul Ul ui ui ui on on on ui Ul Ul ui ui ui on on on on on Ul Ul UJ UJ Ul UJ UJ l l Ul ui ui Ul ui ib lb lb lb lb lb lb lb 00 oo oo oo oo oo 00 00 00 ! ^1

P P P P P P P Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ""d *"d z) j *τ) *x) O P P P P P P P P P P P P P P P P P P pd O Jxi ?d d |xJ KJ KJ KJ KI KI KJ KJ KI KI K! ω co cn ω n n cn G G G G G G G G G G G G G G G G G G O O O O O O O 33 33 33 33 33 33 33 33 33 33

3 Ω Ω Ω Ω Ω 3 O Ω O O Ω Ω Ω Ω 0 Ω O 0 Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 Ω Ω O Ω Ω Ω Ω Ω Ω Ω tS tS CJ Ω 03 LS LS D Ω 03 > ts ts O 63 03 > 63 03 > O EC ts ts O ts J 63 tO M to M t to ω

M M

1 1 1 1 1 1 1 1 1 0 O M CO 00 Ul eo M M M 0 M M O O M to to 0 0 O M ro 0J lb lb on cn on 01 ] -J ^1 ^1 00 1 ^1 j -J -j ^ 01 on -J CO CO lb Ul on en ] on VD 00 on to VO ^1 o 01 -j on O 00 lb lb 00 00 to cn vo ^J lb M to Ul ro 00 lb 0 -0 ui 0 cn lb O M 0 00 00 CO 0 lb M to 0 CO lb M to ] 00 0 OJ -J O O t VO ui vo on UJ 00 M cn lb CO to to ^1 ~0 ^3 O M to

M M M M M M M

0 M O vo vo vo 00 vo CO O vo vo _^) ^1 -J Ol -O 01 ro lb OJ OJ OJ lb lb lb lb ^1 on on ^1 01 lb on M O M VD vo CO 00 -J lb ro VO lb M Ul 00 -j O O vo lb vo M lb to M M on M lb 00 -J 00 ! 0 CO cn to 00 ui to on ^1 00 O O VD on lb cn ui

00 lb CO on -J vo 0 00 to Ol vo lb lb Ol Ul on 0 0 CO on M O lb O 0 on M on lb ^ 0 to t on VO M on M lb on 0

1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 M M M M M M M M M M M M

M CO M M O M M OJ to 00 M to to to 00 00 on lb on lb ui on lb lb OJ Ul lb on 01 lb lb 00 to to -J 00 VO 0 -J 00 0 0

^3 O O 0 IO CO CO lb CO 00 01 -0 -4 lb lb on ro lb on O 0 ui lb on lb lb ] UI 0 00 to -J to on on lb -J on 00 en 0 VD

M O M 01 ^J lb on OJ VD 0 vo lb lb lb M ! lb 00 00 on 0 Ul VD lb Ul VO to M 01 Ul O 00 00 0 lb M OO 00 00 VD 00 M CO 00 CO CO 00 00 CO CO CO 00 00 CO CO CO CO CO CO

O O O 0 O O 0 0 O 0 0 O O O O 0 0 0 0 0 0 0 O 0 0 00 Ul 00 00 OJ 00 00 00 ro 00 O0 00 Ul 00 0J 00 to

O O O 0 O O 0 0 O 0 0 O O O O 0 0 0 0 O 0 0 O 0 0 M Ul 00 lb lb lb to M o on Ul on on lb M to Ol

O O O 0 O O 0 0 O 0 0 O O O O 0 0 0 0 O 0 0 O 0 0 -J M lb 00 0 00 vo en 00 on cn on 00 0 vo 0 Ol

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

Ol Ol Ol Ol en Ol Ol Ol Ol Ul Ul ui Ul Ul ui Ul Ul Ul ui ui Ul Ul Ul Ul ui Ul ui Ul Ul Ul Ul Ul on on on on on on Ul on ui

O O O o o O O O O VD vo vo VD vo vo O VO 00 oo oo 00 03 CO 00 oo -J J -J ^1 ^1 en cn on 01 Ol Ol Ol Ol Ol ui ui

> Ω Ω Ω Ω Ω Ω Ω Ω Ω > > > > > > P P P P P P P P > > > > > P P P P P P P P P P P

P P P P P P P P P P rn in rn cn cn CO cn rn rs rs ts rs ts rs rs rs P P P P P Ki Ki Ki i i Ki Ki Ki Ki

> 3 3 3 3 3 3 3 3 3 TJ TJ TJ TJ TJ TJ TJ TJ G G G G G G G G > > > > > cn cn cn CO CO CO CO CO CO CO cn

O Ω 3 Ω Ω Ω Ω Ω 3 O Ω O O Ω Ω Ω 3 o Ω Ω Ω Ω Ω Ω 3 o Ω Ω Ω 3 Ω Ω 3 Ω Ω Ω Ω Ω 3 Ω Ω

IS rs O 63 03 > CJ CJ 63 00 IS O 63 03 t M > 03 to o > rs ts CJ 63 03 >

M to M

vo to to vo vo co vo oo vo vo oo oo cn cn t to 00 Ul lb lb on oo on ui on oi ui ui ib t to lb to VO o on 01 CO VD ui vo CO 00 CO on o cn to oo lb ui to on lb Ul vo co VD CO OJ on lb on eo M oo Ul 00 o on ^1 co oo Ol on oo 00 on M 1 VD lb on 00 lb M 00 cn M on OJ 0J en to OJ Ul ^1 ^3 lb M 01 ^1 Ol ui M OJ 00 00 1 VD oo

(Tv J oo M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M lb lb lb M to M t M IO to lb OJ M to M M 00 IO Ul 00 lb on lb 0J 0J to OJ CO o o vo vo o Ol 01 Ol Ol cn 00 00 o VD

00 to o M 1 o oo VD oi ui lb OJ on co o vo M vo t cn lb cn OJ to CO ^1 VD CO CO lb vo ui oo CO vo oo lb eo lb

VO vo lb O cn ib Ul OJ lb o cn lb o 00 01 to to Ol lb lb cn on to VD o ^1 on M ^1 ^1 lb Ol M 0J J CO on OJ ^1 o

1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 on Ol 01 Ol CO ^1 cn on lb OJ OJ M o o M to to ro to o to M to 00 lb on on 01 on lb lb lb Ol Ul lb oo OJ OJ to M M

^1 oo M OJ M lb Ul on OJ t t oo to 00 on M Ol cn CO o o t M 00 M 01 eo CO CO -O lb M ui M on VD oo on oo vo 00 o lb cn lb ^1 ^1 o lb J vo to ^J M OJ oo M lb oo Ol on Ol on UJ M ^1 M o VD oo o lb vo o OJ vo lb o eo lb

^ ^1 ^1 00 oo oo ^ ^1 ^J 00 CO 00 00 oo oo co co 00 CO 00 00 CO 00 00 vo VD VD VD vo vo vo vo vo vo vo vo VD VD vo vo on 01 01 o o o VD oo VD M M lb lb lb 00 OJ on ^1 ^1 -J 00 00 o t CO OJ CO OJ OJ lb o CO Ul on on ^3 VD vo ro M Ol 00 00 to on lb VD Ol to cn 00 lb vo oo lb to t OJ to ^1 to Ol 01 01 M to 00 OJ lb o o CO o lb o M o eo CO 1 M to M VD lb 00 00 00 lb on M o M 01 Ol M M M Ol 00 o OJ lb on M M M M ui J CO o 00 M eo CO lb 01 CO VD

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

Ol on cn Ol Ol Ol cn cn Ol Ol Ol O cn cn cn 01 Ol 01 Ol Ol 01 01 cn cn O 01 Ol O Ol Ol cn cn Ol 01 Ol cn en cn cn 01 en 01 on cn cn Ol Ol Ol on on on on on Ul Ul Ul lb lb lb *> lb lb lb lb lb OJ OJ OJ 00 00 OJ UJ Ul Ul CO to to t to to M M M M

>9 •9 ^■9 19 H 1 H H H H H H H H Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω tn cn cn cn cn cn J J 3J 3J > >

3 33 33 33 P P P P P P P P P P P P P P P P P P P P P P P P P P IS t rs IS ts rs P P P P

TJ TJ J TJ TJ TJ IS ES IS s rs ES rs ES G G G G G G G G G G G G G G G G G G 33 33 33 33 33 3 > >

Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω O Ω Ω Ω Ω 3 O Ω 0 Ω Ω 3 0 Ω Ω Ω

IS J Ω 03 > O Ω Ω 03 > rs rs O 63 03

CO M > ts ES

CO M α 63 03 > 63 03 > 03 to t M M to

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

M to 00 lb on lb on lb 0 M t to lb lb cn Ul OJ lb lb lb lb lb lb on lb Ol lb on lb OJ OJ M to M ^1 vo vo vo vo CO 01 ]

CO on OJ 00 lb Ol vo VD lb CO CO ^1 M 0 to M ui OJ to VO 01 VD O 0 M CO to 0 01 to 0 ! O CO 00 to CO 0 0 01 OJ CO

Ul 01 ^1 0 1 00 VO M VD 00 CO OJ to OJ ] on on vo O Ul ^1 0 vo CO CO lb cn 0 01 lb 01 ^1 M O 00 vo 00 UJ to OJ vo -J lb J

J M M M M M M CO t to CO to to to to to to CO to to M to M M M M M M M M M M M M M M M M M M M M M

01 0 01 Ol ^1 CO 0 O CO eo M M 0 O 0 0 0 M 0 VO 0 VO CO 1 ] lb 00 lb lb on 01 en CO ^ CO 00 00 ^1 CO ^ 01 en

O 0 00 lb 00 ^1 on O CO 0 Ul O vo to 01 M 0 vo ^ VO lb lb 00 00 Ul O oo 0 ^1 lb eo 00 O Ol 01 00 0 O M CO OJ 0 lb 00 lb ui Ol 00 vo ] to 0 vo Ol M 01 0 01 lb Ol M lb CO 0J on 0 Ol O 00 0 on O CO M O OO eo lb vo vo en M 0 00

1

1 1 1 1 1 1 1 1 1 1 1 1 1 1 M 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1

O 0 0 0 O M 0 M M eo 0 M to OJ OJ lb 0 vo VO 00 cn on on 00 lb lb lb lb on on lb lb CO Ul to CO Ul lb cn on on en on 1 M 00 CO M on to VO lb M Ul M lb 00 eo 0 M M 0 cn on lb 00 O UJ M ^1 vo 00 01 on ^1 Ol 00 Ul ] lb lb ι vo CO

00 01 ^1 on ui M 01 O O M M lb on on ! M 00 VO ^3 -0 cn on 00 0 O -J M OO 00 on to vo M lb ^1 lb lb to 0 0 lb vo on on on on Ul Ul on Ul on on ui on on on on ui Ol Ol Ol Ol 01 Ol cn cn Ol on Ol cn 01 01 01 01 on Ol en en Ol 1 ^1 -0 ^1 ^1

0 O 0 0 0 M to 00 lb lb lb lb lb 01 ^3 00 CO to to M 0 0 M 00 Ul 01 on 01 on on lb 01 -0. _^) ι 00 CO 0 to CO lb 00

00 on to 00 M Ol ^1 t to lb to ui OJ 0 00 CO Ol ^1 ^1 O ^1 O 01 00 lb lb 10 lb vo lb CO M lb on 0 Ul 01 ^1 CO -0 lb vo

00 ro 00 lb Ol OO vo eo oa 0 01 lb on on ~J cn M M 00 on on lb on 0 lb on 0 lb M vo 00 lb ] cn CO -j vo on on M 00 ~j

l > > If l» > J J J TJ J > l > > > > > > > > > > H H H H H 3 33 33 33 EC EC EC tn cn in cn cn in cn to to > in cn > > H ι9

^■pa ^•pa ^■pa 3 EC EC EC EC EC EC EC EC tn 33 33 33 33 33 33 33 33

63 63 63 63 63 63 63 ts IS ts ts ts ts IS t t ts t TJ TJ TJ 3 3 3 3 3 3 3 3 TJ TJ TJ

Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 3 O Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω 3 Ω Ω ts ts O Ω 03 > ts ts IS CJ 3 ω 63 03 EC IS t CJ ts to M to α 63 03 J

M to α 6 > CJ

M to α

M to to M M

to to to to ro to eo to co to o o o on ! oi o vo o o vo oo oo ι on o ro t to to o to on cn to on oo oo oo oo ro on on to to to to o oo vo cn to vo on on cn OJ vo vo vo on oo to oo to to to to to t to to to to to to on cn vo to to o o vo o t to o -o ! ! on on on on oo on ui on on cn on on ro on to on vo vo on o to cn oo o on on ro on ro vo vo cn vo cn on eo co vo on

1 1 1 1 1 1 1 1 1 1 1 1 o to to to to o o o oo Ul M M M M to on lb lb lb eo M o o o o o o on to oo o vo o cn on o on on eo to cn oo to vo on oo co on en t cn to on -o o oo eo on o to

oo vo oo vo on

170 ARG NHl 17..40 13..69 -1..74 38..27

170 ARG NH2 16. .14 13. .05 0. .09 37. .64

170 ARG C 22. .89 18. .15 1. .13 36. .84

170 ARG 0 23. .91 17. .71 1. .66 35. .93

171 GLU N 22. .90 19. .13 0. .23 36. .67

171 GLU CA 24. .14 19. .78 -0. .18 36. .41

171 GLU CB 23, .88 20. .63 -1. .43 36. .99

171 GLU CG 25. .09 21. .40 -1. .93 38. .98

171 GLU CD 24. .77 22. .34 -3. .08 40. .64

171 GLU OEl 23, .57 22. .47 -3 , .43 41. .36

171 GLU 0E2 25. .71 22. .95 -3. .63 41. .58

171 GLU C 24, .63 20. .66 0. .97 35. .94

171 GLU 0 25, .83 20. .77 1, .21 35. .60

172 ALA N 23, .69 21. .26 1, .69 35. .09

172 ALA CA 24, .04 22. .11 2. .83 34. .93

172 ALA CB 22, .82 22. .92 3, .27 34. .57

172 ALA C 24, .55 21. .25 3, .98 35. .01

172 ALA 0 25, .46 21. .64 4. .70 34. .45

173 ALA N 23, .95 20. .06 4. .14 35. .41

173 ALA CA 24, .32 19. .12 5. .20 35. .69

173 ALA CB 23, .25 18. .05 5, .34 35, .46

173 ALA C 25 .67 18. .47 4. .93 35, .67

173 ALA 0 26, .40 18. .14 5. .87 36, .27

174 GLU N 26 .01 18. .29 3. .67 35, .68

174 GLU CA 27 .29 17. .68 3, .33 35. .58

174 GLU CB 27 .35 17. .32 1. .84 35. .73

174 GLU CG 28 .61 16, .56 1. .45 36, .38

174 GLU CD 28 .82 15, .29 2. .27 37. .35

174 GLU OEl 27 .83 14. .68 2. .73 37, .65

174 GLU OE2 29 .99 14. .88 2. .44 37, .71

174 GLU C 28 .35 18. .71 3. .66 34, .99

174 GLU 0 29 .46 18. .38 4. .08 35, .43

175 ALA N 27 .99 19, .98 3. .45 34, .24

175 ALA CA 28 .89 21, .08 3. .75 33, .74

175 ALA CB 28 .26 22, .40 3 .32 32, .95

175 ALA C 29 .12 21, .08 5 .27 33 .70

175 ALA 0 30 .26 21, .09 5. .75 33, .39

176 HIS N 28 .01 21, .02 6. .01 32 .72

176 HIS CA 28 .07 21, .00 7 .46 32 .84

176 HIS CB 26 .64 20, .94 8. .04 32 .11

176 HIS CG 26 .56 21, .33 9 .48 31 .30

176 HIS CD2 26 .12 22, .47 10 .07 30 .88 176 HIS NDl 27..01 20..52 10,.50 31..27

176 HIS CEl 26. .86 21. .14 11, .66 30. .83

176 HIS NE2 26. .32 22. .33 11, .42 30. .79

176 HIS C 28. .91 19. .84 8. .02 33. .38

176 HIS 0 29, .70 20. .04 8, .94 33. .60

177 ARG N 28, .74 18, .64 7, .46 33. .53

177 ARG CA 29, .49 17, .47 7, .92 33, .39

177 ARG CB 28, .99 16, .18 7, .23 32, .80

177 ARG CG 27 .77 15, .50 7, .86 32, .53

177 ARG CD 27 .45 14, .17 7, .15 33, .10

177 ARG NE 26, .97 14. .37 5, .79 32. .69

177 ARG CZ 25, .68 14, .52 5, .47 32. .96

177 ARG NHl 24, .75 14. .48 6. .42 32, .02

177 ARG NH2 25, .33 14. .76 4, .21 33. .82

177 ARG C 31, .00 17, .59 7, .71 33. .85

177 ARG 0 31, .79 17, .23 8, .58 33, .96

178 GLN N 31 .41 18, .08 6, .54 34. .27

178 GLN CA 32 .83 18, .21 6 .26 34, .25

178 GLN CB 33 .06 18, .34 4 .75 34, .91

178 GLN CG 32 .90 17 .01 3 .99 35, .84

178 GLN CD 33, .05 17, .16 2, .48 36. .16

178 GLN OEl 33, .97 17, .81 1, .99 36. .33

178 GLN NE2 32, .14 16, .55 1, .73 36, .63

178 GLN C 33 .46 19, .38 7 .02 34, .30

178 GLN 0 34 .64 19, .34 7 .34 34, .63

179 VAL N 32 .67 20, .40 7 .32 33. .89

179 VAL CA 33 .19 21, .54 8 .05 32. .99

179 VAL CB 32 .20 22 .72 8 .02 32. .36

179 VAL CGI 32 .59 23, .76 9 .05 31. .59

179 VAL CG2 32 .18 23 .33 6 .62 31. .84

179 VAL C 33. .47 21. .16 9 .50 33, .52

179 VAL 0 34, .56 21, .41 10, .02 33. .09

180 ARG N 32, .49 20, .53 10, .15 33. .57

180 ARG CA 32 .65 20, .15 11 .54 33, .51

180 ARG CB 31 .30 19, .68 12 .13 32, .30

180 ARG CG 30 .76 18 .38 11 .60 31, .32

180 ARG CD 29 .24 18 .33 11 .77 30, .49

180 ARG NE 28 .73 16 .96 11 .71 30, .38

180 ARG CZ 27 .47 16 .63 11 .48 30, .20

180 ARG NHl 26 .55 17 .57 11 .27 29 .69

180 ARG NH2 27 .11 15 .35 11 .46 29 .57

180 ARG C 33 .74 19, .10 11 .74 34, .13 180 ARG 0 34,.49 19..15 12.72 34,.52

181 LYS N 33, .85 18. .17 10, .80 34 .66

181 LYS CA 34, .88 17. .14 10, .88 35. .79

181 LYS CB 34. .78 16. .19 9, .67 37. .11

181 LYS CG 35. .69 14. .97 9, .78 39. .56

181 LYS CD 35, .43 14. .21 11. .09 41. .74

181 LYS CE 36, .21 12, .89 11, .15 43. .36

181 LYS NZ 35, .88 12, .05 12, .35 43. .90

181 LYS C 36, .23 17, .85 10. .87 35. .61

181 LYS 0 37, .15 17, .50 11. .60 36. .11

182 TYR N 36, .33 18, .88 10. .04 35. .46

182 TYR CA 37, .53 19, .68 9. .93 35. .27

182 TYR CB 37, .34 20, .70 8. .80 35. .32

182 TYR CG 38, .43 21, .74 8 .68 36. .09

182 TYR CDI 39, .78 21, .36 8. .61 35. .99

182 TYR CEl 40, .78 22, .31 8 .47 36, .37

182 TYR CD2 38, .12 23. .09 8 .61 35, .54

182 TYR CE2 39, .11 24. .05 8 .47 36, .45

182 TYR CZ 40, .45 23. .65 8 .40 36, .61

182 TYR OH 41, .44 24. .60 8 .26 37, .15

182 TYR C 37, .79 20, .38 11 .27 35, .38

182 TYR 0 38, .89 20, .31 11 .81 35, .66

183 VAL N 36. .75 21, .02 11 .80 35, .13

183 VAL CA 36, .84 21, .73 13 .09 35. .03

183 VAL CB 35, .46 22. .29 13 .51 34, .55

183 VAL CGI 35, .55 22, .85 14 .92 33. .51

183 VAL CG2 35, .01 23, .35 12 .53 34. .30

183 VAL C 37, .31 20, .81 14 .21 35. .47

183 VAL 0 38, .21 21, .17 14 .97 35. .04

184 MET N 36, .71 19, .63 14 .29 36. .13

184 MET CA 37, .06 18, .67 15 .33 36, .80

184 MET CB 36, .14 17, .45 15. .25 37. .91

184 MET CG 34, .70 17. .74 15. .60 40. .43

184 MET SD 33, .57 16, .41 15. .12 44, .21

184 MET CE 33, .44 15, .46 16, .68 42, .39

184 MET C 38, .52 18, .22 15, .28 35, .89

184 MET 0 39, .02 17, .65 16, .25 35, .14

185 SER N 39. .22 18, .48 14, .18 35, .51

185 SER CA 40 .61 18, .06 14, .10 35, .40

185 SER CB 41. .00 17, .68 12, .67 34, .94

185 SER OG 41 .44 18, .81 11, .94 35. .22

185 SER C 41 .59 19, .11 14, .63 35, .12 M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M O VO VO 00 00 CO CO 00 00 oo 00 00 oo 00 00 00 00 00 00 00 03 00 00 00 oo 00 00 00 00 00 CO CO 00 00 CO 00 CO CO 00 co 00 oo o o o VO vo vo vo vo VD VD oo oo oo 00 00 00 00 00 00 ^1 ^ -J ^J ~J ] ^1 ^1 cn on cn on cn cn cn cn cn cn cn Ol 01 Ol on

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lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb OJ 00 00 00 0J lb lb lb 0J 00 OJ 00 lb lb 00 lb lb lb lb lb lb lb lb OJ lb 00 ro to to eo eo to to 00 oo 00 Ul UJ co M o o 1 ^J CO 00 VD o t M 00 vo 00 vo o o vo o M CO CO M eo lb 00 ^1 ^1 00 UJ VO Ol Ol on o to to vo on Ol M OJ Ol Ol lb -o. o oo oo o lb Ol Ol 01 cn CO vo Ul 01 en lb ui M CO 1 cn ^1 ^1 ^J M lb to to vo M cn lb M CO vo cn o lb vo Ol lb Ul on M on ^3 on on Ul M lb Ol lb vo UJ o l Ol eo o o s J to to ro to to to to to eo t t to M M to to to eo co co CO to to eo eo to to to to to to to to to eo CO to to CO CO eo M vo CO 1 on ui to lb on CO 00 on lb 00 co o M to 00 OJ M to lb 00 M eo to to to to σi ui on Ul to lb lb lb to to M o 00 o o CO OJ vo vo OJ o Ol VD 00 to VD M lb Ol o 00 to lb vo lb M cn 00 M VD to o CO to Ul Ol CO Ul o VD 00 lb oo ^1 lb 00 OJ vo to lb M 1 vo vo on 01 M cn to VD on 01 lb 00 o 00 en to CO lb lb to O Ol VD vo t 00 o CO VD on o CO O to to eo to t to to to eo to to to M M to M eo to M M M M M M M M M M M M M M M M M M M M M M M M to OJ OJ oo 00 Ul on lb 00 oo M M CO VD o VO o o VD vo vo oo vo CO CO ^1 cn 01 Ol oo lb t M CO lb eo Ul OJ lb on lb on lb Ul vo M on M lb M -0 M lb 00 lb l lb 01 lb CO lb o -o M 00 o 00 vo OJ VD vo CO 1 o oo CO o M cn o OO OJ lb t 00 00 to to on 00 to lb M O CO Ul Ul vo CO o cn VD lb Ul M 1 Ol O CO OJ o lb on M M Ol eo 01 ^1 o to to OJ OJ 00 OJ OJ OJ 00 oo 00 00 OO 00 oo Ul OJ OJ Ul Ul OJ 0J oo oo oo 00 00 00 OJ 00 00 OJ Ul oo OJ UJ Ul oo 00 oo 00 oo vo o M o o M o o o M M to M M M M M CO 00 CO CO 00 00 t 00 00 00 OJ lb lb on on on lb ui lb ui lb lb lb Ol vo o M lb to o ^1 lb vo 1 lb O Ol Ul o lb vo ^1 to CO OJ to CO VD o lb ^1 CO o 0J lb o vo Ul vo M on o M M cn lb 00 o oi M ^1 lb lb 00 VO on o to oo on o vo oo lb M M J 00 vo Ul M on 00 o on o o Ul ^J Ul lb ^1 OJ eo

M M M vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo on on on Ul lb lb lb ib lb ib oo oo Ul Ul ui

Ω Ω Ω Ω Ω Ω Ω Ω Ω H H H ES ES ES ES ES ES ES ES I9 l9 l9 β β β ES ES ES ES ES ES ES ES Ω

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to ro to ro t to to to to to to M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M o o o o o o o o o o o vo vo VD VD VO o vo vo vo vo vo vo vo VO VO VD vo VO VO vo VD O VO VO VO VO vo VO VO VD VO

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Ω Ω Ω P P P P P P P P P P P P P P P P P Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω H H H H H H H

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Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 Ω 3 Ω Ω Ω Ω Ω 3 Ω O O Ω Ω Ω Ω 3 O Ω cn Ω Ω 3 O Ω Ω Ω Ω Ω Ω 03 > O Ω 03 o Ω 03 o CJ Ω 03 O Ω Ω 03 to σ IS S C

M > J > CS t

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OJ 00 00 OJ OJ 00 OJ OJ 00 Ul oo 00 00 lb lb lb lb OJ OJ OJ 00 0J Ui Ul oo OJ OJ oo Ul OJ Ui 0J UJ oo 00 OJ 00 00 OJ 00 OJ oo J 00 lb lb lb to eo 00 lb on cn ~J ^1 OJ to M O VD oo 00 ! -J ] vo CO ^1 ^1 cn Ol lb on 00 lb lb Ol Ol 01 o CO cn -J ^1 o UJ M to ui o -J M lb OJ lb ui lb to 0J lb lb O 01 o CO OJ CO lb CO CO CO CO l Ol 00 Ul o VD o ^1 00 vo lb lb 00 VO o Ol on o M O vo VD ^1 lb 00 o ^1 CO cn Ol oo to o 00 oo oo oo ] 00 -o lb M CO 01 M o lb o to ui on lb on ui on 00

0J Ul to t to to CO CO to CO CO to to to to to to t to Ul 00 00 Ul Ul oo 0J oo 00 Ul OJ Ul 00 Ui oo oo to to to to eo CO eo

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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ro to to to eo to to to to to to ro ro to to to to to to to to to to to to CO to to to to to ro ro to to ro eo eo eo CO eo to

M M M M M M M M M M M M M o o o o o o o o o o o o o o o o o o o o o O o o o o o o o

M M M M o O O O O O O o o vo vo vo vo vo VD o vo VD 00 00 00 00 00 00 oo oo ^1 ^1 ^1 ^3 ^1 ^1 ^1 ^1 cn on on 01

> > > Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P H H H H H H H H P P P P P P P P P P P P cn n cn in P P P P P P P P P Ki Ki K; Ki Ki κl Ki P P P P P P P P ts ts ts ts ts ts LS LS Kj >< Ki Ki 2 2 2 2 G G G G G G G G G cn cn n in cn cn in cn CO ts t ts t rs LS ts ts G G G G G G G G 10 m cn cn

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to to to to to to to 00 to to CO t to to co 00 oo Ul 00 oo 00 to to CO CO to CO to oo OJ Ul Ul oo 00 oo OJ oo 0J 00 Ul

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OS

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M lb lb o vo M lb 01 on VO Ol to on VD -j ^1 oo oo oo M O CO lb O o 00 00 00 on vo CO M ui CO oo 1 o CO lb lb lb lb lb lb lb on on on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ui Ul lb ui en 01 CO eo M VD Ol Ol on on vo co cn Ol on lb 0J 00 00 00 00 00 00 00 OJ o M to t to to to CO eo ^J Ol

00 M ^J vo M 00 on M OJ Ol ^1 on o M on o to CO o to to ^1 VD co on M oo Ul M VD 01 M Ul oo Ul J ^3 oo ui CO M Ol lb ui vo on M lb 00 lb oo oo on OJ o CO o o VD vo O Ul CO lb 00 lb vo Ol oo to 0J t Ul lb OJ CO vo 01

eo co ro to eo eo eo co eo co co co eo CO CO CO eo CO CO co to to to co to eo to co co co co eo co ro CO CO CO to co co eo eo

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M C0 ~J ^! ^l l ^l O ~J ~J 01 01 01 0 011 on Ul Ul ui Ul lb ib ib lb ib lb ib ib OO OJ UI UI OJ OJ OO OO to CO CO CO

> P P P P P P P P Ω Ω Ω Ω > > > > > > > P P P P P P P P Ω Ω Ω Ω > p ts rs ts ts ts rs ts ts p P P P P P P P P cn co cn cn cn cn cn cn cs tS ES ts tS LS ES iS P P P P cn ω cn cn G G G G G G G G κ; Ki 2 2 2 2 2 2 2 2 G G G G G G G G κ; κ; κ; κ! 2 2 2 2

2 O Ω Ω Ω Ω Ω Ω 2 O Ω Ω 3 Ω Ω 2 O Ω 3 Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω 2 O Ω Ω 2 O Ω 2 O CJ CJ Ω 03 > J CJ σ to M > 03 CJ IS 63 03 C J 63 00 to M to >

M > to M

to eo CO to eo CO to t to to to to to to to to to to CO to M eo CO CO to to to CO to M ro to to t eo to CO eo CO CO to to lb lb lb VD VD CO ^3 cn on on on Ol Ul on on on lb 00 M eo vo M o M M M o M o VD o O M to lb 00 lb Ol lb on on Ol o lb 00 o oi on CO to Ul Ul vo O eo CO M o to lb 00 00 -o eo vo VD on co lb eo CO to on 00 on on oo VO VO o ] 00 to ~j

01 M M Ol on lb Ol o o to oo Ol M ro Ol vo ui 00 cn M VD o 00 M ] on M on cn O M 00 ro CO Ol Ol on cn OJ on M 00

00 UJ Ul Ui oo OJ 00 00 Ul to oo 00 00 00 OJ to ro oo to J U) oo oo 00 00 Ul 00 00 00 Ul OJ oo oo oo 00 Ul oo oo oo oo 00 o o to M o M M M o M vo o O O M o vo vo o VD o M Ul eo M M t to oo cn 1 on on lb on lb on on on 00 Ul to lb t to M o vo lb Ul 01 o M to 00 M on 01 o oo CO oo Ul VD as lb Ol 01 vo cn 00 cn -J vo cn ! oo on eo vo M on vo lb M o Ul o CO 01 lb J Ol on O lb O 01 VD M ^1 00 on Ol M o on CO lb lb lb to eo ^1 O oo o o lb lb M on o on on -J o

1 1 1 I 1 1 1 1 1 1 1 1 I 1 1 1 1 1 1 1 1 1 1 1 1 1 Ol Ol on ^1 Ol Ol 01 lb 00 oo to M o o M o M to to on on on lb 00 to o M M o o o o M O M eo CO 00 oo 01 Ol o M lb on M M CO o 01 oo cn to to OJ o vo vo cn 00 OJ Ol Ol OJ Ul o lb ^1 oo lb o o _^) ^1 on CO CO o lb 00 O lb M

01 lb eo ] vo VO on to ro lb lb lb Ol on ro OJ on vo o M CO lb lb CO to lb -J to CO vo M 00 cn CO lb O 00 on vo VD Ol oo

CO eo to CO CO CO to to oo UJ 00 OJ O J OJ 00 00 00 00 Ul oo 00 OJ 00 Ul Ul Ul oo Ul l 00 oo 00 lb lb lb lb lb lb lb lb lb co oo o co vo VO VD vo o M M M CO OJ OJ Ul lb on on cn VD VD vo oo ^1 00 CO vo 00 oo co co VD o CO M CO Ul lb OJ on on lb ^J o CO vo ] ^1 ] Ol ^1 lb 00 O 01 cn lb lb ] CO cn to vo oo oo Ol on -J o M Ul 00 vo lb CO lb 00 eo OJ o VD CO CO lb CO lb eo on 1 cn co ^J on M Ul Ol OJ oo ui 00 lb to OJ cn o on on vo 00 eo IO lb 00 O VD OJ oo ^1 O 1 M CO lb oo 00

ro to to to to to to to eo to eo to CO to to to to o to to to t t to CO eo CO CO CO CO to to to eo CO CO CO co to to eo CO ro to to to to CO eo to eo to CO eo to to ro CO to to to ro to t to to CO CO CO M M M M M M M M M M M M M M M lb lb lb oo oo oo Ul Ul Ul to CO eo to M M M M M M M o o o o o o o vo VO VO VD VD VO VD VD VD vo vo CO CO CO CO cn cn in Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ι ι ι9 •9 ι9 ι9 ^PJ TJ TJ TJ TJ TJ TJ TJ TJ TJ J TJ TJ TJ J TJ TJ TJ TJ ts > > ts t Ki Ki Ki K; P P P P EC EC EC EC EC EC EC 33 33 33 33 33 33 33 EC EC EC EC EC EC EC EC EC EC EC P >P P P 33 33 33 cn cn CΛ CΛ in cn Ki K; Ki 33 33 33 33 33 33 33 O O O O O O O LS LS ts IS ES LS IS ES LS LS LS > > > >

Ω Ω 3 O Ω cn Ω Ω 3 O Ω Ω 3 O Ω Ω O Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 03 > Ω 03 > > Ω Ω 03 > Ω t M ω Ω Ω 3 O Ω 3 O Ω Ω > D CS t t O CJ Ω 03 > 03 > to M to M

ro CO to 00 OJ 00 OJ oo co to to t to ro to 00 00 OJ eo t CO eo CO eo to to eo to to CO CO CO CO to eo to to to to to eo to ~o CO vo M o CO M o vo vo CO J 00 VD CO o o o oo oo cn Ul 01 cn lb on on Ul eo M Ul M Ul CO to Ul 00 M to M to oo oo to lb lb eo 00 on lb to vo 00 o on oo VD 1 on vo lb OJ M 00 cn on vo M on cn lb 1 on cn cn o on cn on vo cn cn o 00 OJ 01 VD M vo on 00 CO 00 o Ul on cn o oo oo o 00 0J to to CO o lb en oo VD M M oo on ui Ol oo 00 o

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M on lb lb 00 oo to lb 00 Ol o cn 00 M Ul 00 VD en on oo o vo Ul lb ^J o cn ^1 lb lb o 00 CO

CO eo CO eo CO M M to M M M M M M M M M M M M M M M M M M M M M M M M M M M M M lb oo to to M o VD o vo CO CO 01 01 on lb CO lb lb oo lb Ul 0J OJ CO CO to o M CO M Ul M 00 to M o VD 00 03 ! -J

O CO on Ol o 00 VD on co on vo Ul lb vo vo M lb ^J O on M ^1 00 ^1 eo o 00 -0 Ul lb o o ^1 on 00 lb VO vo o lb vo on on o ^1 to CO VD O 01 o on oo 1 O o lb oo OJ oo OO O M ^J to M on Ul lb M cn t t 00 vo o oo to to to CO eo to CO to to eo CO to to to IO eo CO CO eo to CO CO CO to CO CO to ro to CO eo CO CO eo CO CO to to eo CO to to

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> > Ω Ω O Ω 00 ro M > > ts IS ts t M

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ES ES ES ES ES > > > > > > > > > EC EC EC EC EC EC EC EC EC EC t t ts S ts i >n cn cn > in c >n cn cn cn cn >O >cn >cn > in n cn cn H H H H H β P3 P3 TJ TJ J J TJ TJ TJ TJ TJ J TJ TJ TJ TJ TJ TJ in cn ω cn cn P P P P P P P P P P P cn Ω Ω Ω 3 O Ω o O Ω Ω Ω 3 O Ω o O Ω Ω Ω 3 O Ω 3 Ω 3 Ω Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω D Ω 03 > O Ω 03 ts ts O Ω CO 3 O σ Ω Ω Ω Ω to α Ω

M ω > αto M > to M M αto > to M ω > t M

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33 ^•pa 33 33 33 33 33 33 10 cn cn CΛ in ω tn co tn n 33 33 33 33 33 33 cn cn cn CO cn in G G G G G G G a G ^pj ^pj PJ

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M M CO M M CO > eo M σ 63 03 > ES co

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383 TYR CZ 23,.23 43..47 18.16 28..43

383 TYR OH 23, .77 44. .11 19 .26 29. .30

383 TYR C 20. .26 39. ,27 14, .07 29. .62

383 TYR 0 20. .85 38. ,49 13, .34 30. .04

384 MET N 18. .98 39. .59 13. .91 30. .63

384 MET CA 18. .21 39. .03 12. .80 32. .22

384 MET CB 17. .77 37. ,60 13. .10 31. .13

384 MET CG 17. .14 36. .89 11. .90 29. .69

384 MET SD 16. .92 35. .13 12. .20 30. .05

384 MET CE 15. .63 35. .13 13. .51 26. .97

384 MET C 17, .01 39. .90 12. .47 34. .24

384 MET 0 16, .31 40. .37 13 .35 35. .01

385 LYS N 16, .79 40. .11 11 .18 36. .90

385 LYS CA 15, .67 40. .92 10 .71 39. .82

385 LYS CB 15. .83 41. .20 9 .21 39, .80

385 LYS CG 14, .91 42. .27 8 .68 40, .78

385 LYS CD 14 .99 42, .40 7 .17 40, .71

385 LYS CE 14 .02 43, .46 6 .70 41, .17

385 LYS NZ 13, .79 43. .41 5. .23 41. .26

385 LYS C 14, .34 40. .19 10. .98 41. .55

385 LYS 0 14, .23 38. .99 10. .73 41. .37

386 ASN N 13, .35 40. .91 11 .51 44, .17

386 ASN CA 12, .04 40. .31 11 .80 46, .96

386 ASN CB 11, .11 41. .36 12 .44 48, .19

386 ASN CG 9 .80 40, .75 12 .95 49. .73

386 ASN ODl 8 .98 40, .25 12 .18 50. .47

386 ASN ND2 9 .61 40, .80 14 .27 50. .25

386 ASN C 11 .43 39, .80 10 .50 48. .16

386 ASN 0 11 .34 40, .55 9 .53 48, .32

387 PHE N 11 .00 38, .55 10 .47 50, .31

387 PHE CA 10 .44 37 .97 9 .25 52. .49

387 PHE CB 10 .27 36 .45 9 .41 53, .44

387 PHE CG 10 .12 35 .72 8 .10 54, .74

387 PHE CDI 11, .24 35. .48 7 .30 54, .89

387 PHE CD2 8, .87 35. .30 7 .65 55, .20

387 PHE CEl 11, .10 34. .83 6 .07 55, .17

387 PHE CE2 8 .72 34. .66 6 .42 55. .07

387 PHE CZ 9 .84 34 .42 5 .63 55. .12

387 PHE C 9 .11 38 .57 8 .82 53. .49

387 PHE 0 8 .84 38 .68 7 .63 53. .29

388 ASP N 8 .28 38 .97 9 .79 54, .87

388 ASP CA 6 .96 39 .52 9 .49 56, .62 OJ OJ oo 00 00 Ul Ul Ul Ul Ul Ul Ul Ul Ul J 00 Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul l OJ OJ OJ oo oo 00 Ul Ul UJ OJ oo oo OJ OJ

ID VD VD vo vo vo VD VD VD VD VD VD VD vo vo VD vo vo vo vo VO vo vo vo vo vo vo vo vo CO 00 00 oo 00 00 oo 00 00 oo oo CO 00 lb OJ OO 00 00 Ul Ul Ul to CO CO CO CO CO eo M M M M M M M M M M o o o o vo D vo vo o vo VD 00 00 00 00 00 00

3 o Ω Ω Ω Ω Ω 3 O Ω Ω 00 > CJ

M M M M M M M M M M M M M M 00 M M oo o M oo o eo o vo o O vo o l vo o M M VO VO vo vo 00 vo CO 1 ^1 vo 00 oo vo vo oo ^3 cn on Ol on on cn eo 00 VD CO o O CO eo M CO on o OJ vo M vo o Ol to on vo o oo Ul oo 01 o CO oo eo M o vo M vo o CO vo o

M on O on o ^1 on vo o CO OJ cn M oo on vo M Ol ui o 00 lb M lb 00 00 Ol to 00 on 1 on 00 eo OJ ^1 lb M

On on on on Ul on Ul on on on ui lb on on on lb lb lb on Ul lb ui lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo 00 oo OJ lb on lb 00 lb OJ OJ eo M M vo M O o VD vo CO M o vo o vo 00 ^1 cn ui ui lb lb to 00 00 on o 0J M M o -3 CO o on M on oo 00 00 o ^1 on cn o lb to on lb oo CO M 00 M ui CO o on ui VD ^1 cn 00 on 00 oo 00 M ^1 OJ vo vo o o lb o on VD vo CO vo o ^1 on 00 lb lb lb ^1 M 00 00 vo on Ul Ul 00 vo lb ^1 00 to on on oo ^1 M 01 on Ol OJ 01 CO 00 on 01

M M M M M on oi on Ul lb lb lb on Ul Ul 00 oo ] 01 on lb lb M M M M M to UJ lb Ol Ul on Ol Ol 1 M vo vo vo VO oo 00 to o M o on Ol ^1 o Ol VO M ^1 en M on Ol to OJ 00 to 00 ^1 O VD Ul CO CO O eo on vo VD on Ul o oo o lb M vo on on 00 cn lb O lb 00 to on lb vo en 00 to Ol cn o Ol M o UJ M CO lb eo M 1 lb Ol OJ lb M CO eo UJ lb Ul ^1 ^1 on OJ lb on on on on on on on on ui ui on on on on on cn en Ol Ol Ol Ol Ol Ol on Ol Ol on Ol σi Ol on on on on on on u Ul on on on Ul lb oi on ^1 o ^1 CO VD oo co oo oo vo vo o o M M M M M o o o M o o o o vo vo vo vo vo CO 00 -J Ol σ on o o 00 ui M CO M o 1 00 oo VD o on to M to o 00 lb M lb lb vo oo oo vo ^1 oo lb OJ ^1 o ^1 eo OJ vo o on 00 lb lb 00 en on vo oo o to OJ OJ OJ CO o Ol Ol o lb ^J ui ^1 vo O Ol o eo ^1 lb on on M lb M ui 00 M VD on VD

oo oo oo oo oo oo oo oo oo oo oo oo oo oo oo oo oo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo cn on on en on on on on on on on on on on on

> > > > > > > P P P P P > > > > > > > > > > > H H H H H H

33 33 ts t t ts ts 33 33 33 P Ω Ω G G G G G Ω Ω Ω ts

3 Ω 3 O Ω 3 O Ω Ω Ω Ω Ω 3 O Ω 3 3 O Ω ts ts Ω to > > O Ω 03 ts ts

M ro M > ro M σ > M M ro >

to ro to to to to to t to ro eo eo cn ui on on on to to to eo o o vo eo on oo on on oo ui on to to o o to oo oo o vo o o oo on co on o on vo vo vo o oo cn to cn o ui o o o on on

~-J ^1 cn ui on on on on on on on on on cn on on on cn on on on cn on on on on on ui on on o vo vo on on on on o vo o cn o oo o co cn cn to on ro o vo co vo oo in oo eo cn vo o o on cn on oo oo to o o vo oo on vo on vo ui to vo o eo vo cn oo oo vo ui cn eo o vo oo cn

o vo oi eo o vo oo ι on on on on on en on cn cn cn cn vo on en o vo on to t on oo o on o on vo on oo ui on to o o vo oo o to on vo ui o o oo cn o on vo cn to on on on on on on on on on on on on on on on oo ui eo oo to on on oo cn o eo oo co _^! cn oo to o o on vo to on to o to vo o to cn o O o on eo cn on o on on en to on o o o vo cn vo oo o t eo oo on

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb 00 OJ 00 00 00 00 oo 00 oo

O O O o O O O o O O o O O O O O o O O O O O O O O O o O O o O vo vo VD vo vo vo vo vo vo

OJ OJ 00 00 00 OJ to to to to to to to to M M M M M M M M M M o O O o o O O o O vo vo vo vo vo vo vo 00 00

P P P P P P P P P P P P P P EC EC EC EC EC EC EC EC EC EC P P P P P P P P P PJ PJ > ts ts ts ts ES ES t LS ts IS ts ts ts ts H H H H H H H H H H Ki Ki Ki Ki Ki Kj Ki Ki EC EC EC EC EC EC EC 33 33

G G G G G a G G G G G G G G cn cn cn cn ω cn in 10 CΛ CΛ cn cn cn cn cn in cn cn in 33 33 33 33 33 33 33 Ω Ω

2 O Ω

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Os

- . oo lb lb lb lb lb lb lb lb lb lb lb lb lb on on on on on on on on on Ul on on Ul ui on Ul Ul on on Ul on on on on on on Ul on on

VD Ol CO vo CO VD -J co co ] 00 vo VD O O M M M CO M to oo to OJ M t Ul on ui lb lb 00 oo M 00 oo lb lb oo lb oo lb

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on oi oi vo on ib co oo ui ib ib ib ui ib oo oo on cn vo vo oo oo oi vo to ^i o 00 o lb oo oo on oo to vo o ib oo ^ ui oo cn o j M o Ul to UJ oo cn lb cn oo lb ^1 oo ^3 on o vo oo M oo vo o oo vo to oo cn co on on 1 o lb 00 to Ul vo on o co VD on ^1 oo 00 to co to to co ro to eo to to ro ro ro to to to i t ui ui Ul to to 00 00 oo 0J oo Ul UJ Ul oo oo 00 00 00 00 00 OJ on on cn on on oi 00 ^l oo ^ co oo vo vo o vo o o o vo vo on on on 00 00 t Ul Ul lb lb lb lb on cn 00 oo eo cn co oo 00 oo cn on oo on vo ui to lb vo vo vo cn oo 00 lb o vo to Ul to vo M to M co M vo o -0 lb to ^l lb o co σi to lb vo to to i i o vo vo ui oo oo 00 CO vo 00 ro -J vo UJ Ul lb VO ^J ] lb vo ^1

ib lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb o O O O O O O o O O O O O O o O O O O O O O O O O O O O O O o o O O O o O O O O O O

00 CO CO CO 00 00 CO CO CO o ^1 ^ -o ~J _^) ! ] cn cn 01 01 Ol 01 O 01 on ui ui Ul ui ui ui lb lb lb lb lb lb lb lb OJ J

Ω Ω Ω Ω Ω Ω Ω Ω Ω > > > > > > H H H H H H H H <; < < < > > > > > > > > P P

P P P P P P P P P rn rn tn in tn tn tn tn P P P P P P P P > > > > > > in tn in in tn tn tn in rs rs

G G G G G G a G G 2 2 2 2 2 2 2 2 t LS LS LS t ES t IS P P P P P P P 2 2 2 2 2 2 2 2 G G

Ω Ω Ω O Ω Ω Ci Ω 2 Ω Ω 2 Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω 2 Ω Ω 3 Ω Ω Ω Ω 2 Ω Ω rs rs CJ 63 03 > ti CJ 63 to > ti 63 63 03

M to > 63 63 03 to M to M M to M > O t 63 CO

CO M >

eo eo to t eo eo eo to eo M M M M M M M M CO CO eo CO M to to to to to to to to to to to to M M M eo t to M M

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OJ eo o vo ι Ul lb cn O lb to lb -o 00 o Ol on on 00 Ul VD cn lb o M CO 00 on oi lb 00 o to vo lb on ] ro o M lb o 00 on Ol on lb ι M M lb VO CO 00 00 CO cn on 00 M cn Ul o o M M vo 1 to vo o lb CO ^1 00 OJ to vo to on M lb on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb φ. lb lb lb lb lb lb lb lb lb lb lb lb lb lb on lb on lb *> lb lb lb o M -J on on lb Ul CO UJ M to cn lb lb lb 00 00 M 0J Ul lb to lb OJ ui 0J lb ] Ul Ol Ol ~0 Ol ~0 M vo o vo 00 oo en -o lb oo M o o CO Ol Ol M Ul ui o o 00 oo eo CO VD M M 1 CO M oo o vo vo VD 01 ^1 t to o o lb oo eo 00 M 01 cn ~J o 00 VO co M 00 σi o on Ul 00 oo CO M lb CO 1 CO 0J Ol o CO Ul on l M 00 Ul Ul co vo 1 t Ol oo on O lb o o o Ol

1 1 1 1 1 o o o o O o o o M M to oo lb OO ro Ul lb lb lb VD oo ] ] on ui 00 lb lb lb lb 00 Ul to to M M M to OJ lb lb Ul

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01 o 00 on cn oo lb VD CO M o vo o ^1 cn lb on ^1 lb o 0J on Ul cn M vo o lb Ul vo ^J o lb 00 cn vo M Ul M 00 ~J Ol

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-j cn VD oo 01 o 01 ] to -J CO lb VD 01 o oo VD oo VD M 01 M CO ui M VD on en ^3 M VD to o vo t M ! O 00 to lb M oo lb Ul to to o o lb M to o lb VD lb ro vo M vo M 00 to M ui M to M 01 lb lb OJ lb on vo ] 01 M Ol Ul on Ul ] ui

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

M M M M M M M M M M M M M M M M M M M O O O O o O O o lb lb OJ Ul Ul Ul Ul Ul UJ Ul to to to ro to M M M O O O O O O O vo VO vo VO vo VO VO vo

> > > P P P P P P P P H i H H H ^►9 Ω Ω Ω Ω TJ TJ TJ TJ TJ TJ TJ TJ TJ J TJ > > > I I> > I

P P P P rs rs rs rs rs ts rs rs EC EC EC EC EC EC EC P P P P EC EC EC EC EC EC EC EC EC EC EC cn cn cn cn cn cn cn cQ

> > > G G G G G G G G 33 33 33 33 33 33 33 Ki Ki Ki Ki ts ES ES ts LS ts t S ts CS LS 2 2 2 2 2 3 3 3

Ω Ω Ω 3 o o Ω Ω Ω Ω Ω 3 O Ω Ω o Ω Ω 3 O Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω 3 0 0 3 O Ω Ω Ω

03 > D 3 to 3 > O O Ω 03 to α 6

M > 63 63 03 03 to M > > IS ts t O to M to α 6

M ro M

to to to to to M M to M ro M M M M M M M M M M M M M M eo eo CO to CO CO ro ro to to to t t to to eo CO CO ro o O o O VO 00 O VD o VD CO cn 00 lb lb cn cn 1 vo vo o Ul lb on 00 lb 00 M M to oo OJ on 01 on lb OJ CO eo O M 00 vo -J Ol M M M cn o 01 Ol on M cn on 00 VD OJ on o vo CO cn ui OJ to 00 on o on M on 01 co vo 00 o Ul Ul Ol OO oi to to 00 to oo on o Ul O on o ^1 M lb M OJ -3 Ul oo VD on to ^1 00 lb vo lb lb CO lb OJ J OO cn

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VD O 00 ^1 to oo lb cn to to cn lb on on M M cn cn 00 on cn OJ Ol o M on lb oo o Ol Ul 00 lb on UJ o eo CO VD cn

CO CO to to to to to M to ro to to to to to ro to to to to to to co CO eo CO to to CO to to to ro to to to to to eo eo CO eo

M o M M M M vo M M M oo lb lb lb on on lb lb on lb on on Ul Ul 00 00 oo OJ lb lb lb on on Ol cn 1 cn on oi on

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ib lb lb lb lb lb lb lb lb lb lb lb lb lb lb tb

M M M M M M M M M M M M M M M VO VO CO OO OO OO OO OO OO OO CO OO OO -O ^l cn cn cn

H3 I-3 I >I | > > > > > > > > Ω Ω Ω Ω Ω TJ TJ TJ TJ > 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 ^•pa ^•pa ^•pa 33 33 33 33 ^•pa 33 EC EC EC EC EC EC EC EC EC EC EC P

TJ TJ Ώ Ω Ω Ω Ώ Ω Ω Ώ Ω Ω Ώ Ω Ώ Ώ 63 Ώ 63 Ω 63 Ω 63 63 63 63 63 63 cn cn cn ts ts t ts ts ES ts LS t ES ts >

Ω Ω 3 3 Ω 3 Ω Ω Ω Ω 3 Ω 3 3 3 Ω Ω Ω Ω 3 Ω Ω cn Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω Ω 3 O > EC EC CS tS Cl Ω 03 > EC EC ts O 63 03 eo M > 63 ro > ts IS O O 63 00 >

eo eo eo eo eo eo vo vo cn cn ro on vo vo vo cn on as vo ι cn ro on ι on ! !

on on vo eo n vo cn vo ι vo ro on vo vo vo on on on on

eo vo cn eo vo vo vo cn vo vo cn on on on eo on vo on eo eo ro co ro co eo eo eo eo co eo eo ro ! cn cn on cn vo cn eo eo on on vo vo on en on on on vo on on vo on o vo vo

to eo to to to to to ro to to o to to to to to to to t to to to M M oo oo to to eo to to to to to ro M M M M M M M O o o o o o vo vo vo vo

P P P > > > > > > > > > > > > > > > > > > P P P P P P P P H H ^pi ^pi ts rs rs 33 33 •pa 33 33 33 •pa 33 33 •pa pa cn to cn tn tn cn tn tn rs rs rs rs rs rs rs rs 33 33 33 33 33 33 33 33 33 33 33 33

G G G 63 63 63 63 63 63 63 63 63 63 63 TJ TJ TJ J TJ TJ TJ TJ G G G G G G G G TJ TJ TJ TJ TJ TJ TJ

Ω Ω 2 O Ω 2 2 Ω 2 Ω Ω Ω Ω 2 O Ω O o Ω Ω Ω 2 o Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω

CO > ts LS D 63 03 > CJ D 63 03 CJ O 63 to IS IS ts D tS tS CJ Ω 00

M to >

M to >

M to to M M oo to to

oo oo oo oo to to eo co co eo to to ro oo ro to to to o to M oo to to o cn on oo vo vo vo on cn o o on oo oo oo on vo on o o on to co on cn eo to vo eo on cn o o M o vo en on to M eo vo -o vo o to vo on 1 vo M o M vo to to on cn M ~J ui on ^3 oo on ^3 ι oo oo oo oo oo oo oo oo oo to en oo o to on on on on on on as ^1 vo o o ! cn to o o o cn o o oo to o cn o to o cn on cn o o o o on -J vo o on o cn co -J on cn on eo

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423 LEU CG 29..72 42..61 4,.83 36.79

423 LEU CDI 28. .25 42. .70 5, .14 36, .71

423 LEU CD2 29. .94 41. .97 3, .46 36 .66

423 LEU C 32. .38 45. .43 4. .87 37, .57

423 LEU 0 32. .01 46. .20 4, .00 38, .19

424 GLY N 33. .22 45, .79 5, .84 38, .07

424 GLY CA 33. .77 47, .14 5, .86 39 .32

424 GLY C 32. .90 48. .19 6, .52 40, .05

424 GLY 0 33. .14 49, .39 6, .37 40 .32

425 GLU N 31. .90 47, .76 7, .27 40, .63

425 GLU CA 31. .03 48, .70 7, .95 41, .42

425 GLU CB 29. .64 48, .09 8, .13 41, .85

425 GLU CG 28. .92 47, .82 6, .81 42, .89

425 GLU CD 28. .56 49, .09 6, .06 43, .79

425 GLU OEl 28. .00 50, .01 6, .70 44, .37

425 GLU OE2 28. .84 49, .18 4, .84 43, .74

425 GLU C 31. .62 49, .09 9, .31 41, .56

425 GLU 0 32. .20 48, .25 9, .99 42, .35

426 SER N 31, .48 50. .35 9. .69 41, .48

426 SER CA 31, .98 50, .84 10, .97 41, .59

426 SER CB 33, .41 51, .40 10, .81 41, .85

426 SER OG 33. .45 52 .49 9, .92 42, .22

426 SER C 31, .04 51 .93 11, .47 41, .15

426 SER 0 30, .29 52 .51 10, .70 41, .18

427 LYS N 31, .09 52 .22 12, .77 41, .53

427 LYS CA 30, .20 53, .24 13, .34 41, .47

427 LYS CB 30, .52 54, .62 12, .77 42, .48

427 LYS CG 31, .92 55 .17 13, .14 43, .92

427 LYS CD 32, .05 56 .65 12 .78 44, .54

427 LYS CE 33, .42 57 .23 13, .11 45, .49

427 LYS NZ 34, .52 56 .80 12, .17 45, .97

427 LYS C 28, .77 52 .85 12 .94 40, .79

427 LYS 0 28, .06 53 .63 12 .32 41, .49

428 TYR N 28, .37 51 .63 13 .29 39, .52

428 TYR CA 27, .04 51 .15 12 .94 38, .32

428 TYR CB 27 .16 49 .95 11 .98 38, .50

428 TYR CG 28, .06 48 .85 12 .49 38, .35

428 TYR CDI 27, .67 48 .04 13 .55 38, .55

428 TYR CEl 28, .51 47 .06 14, .06 38, .86

428 TYR CD2 29 .33 48 .65 11 .94 38, .81

428 TYR CE2 30 .18 47 .68 12 .45 38, .55

428 TYR CZ 29 .77 46 .88 13 .51 39, .22 oo oo oo to to oo oo oo oo eo eo to eo o o o o o o o vo vo vo vo vo

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eo to t to co to to ro to to ro to ro to to t to to to eo co eo ro to ro to to ro eo to to to vo o o o o to to M to o M ro to t to oo _^) cn on o σi oo o o vo on vo to t M o cn o cn on o o o on ui cn on to to co on vo -o cn on oo o oo vo to oo t o oo o o ui ui on on ui on on on on on on on on on on on on on on on on on on on on on ui o o eo o o oo oo on o o to to t ui on on eo o vo o o o o o on cn on co vo o vo o o cn eo cn vo on on cn vo vo o o vo on -o o oo oo vo vo cn vo on oo vo to eo M to M vo -J en on on on oo on to oo on vo on cn on -0 on oo ι vo cn ι on to on o o vo o on on o oo o co cn vo on on to on cn cn to eo cn vo vo on to oo oo oo o oo oo on on to to on on co cn on o o -o o o vo M on on o en cn to vo cn oo vo oo to vo to t σi on to cn ui to on o eo oo vo vo vo on vo to

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Φr lb lb lb lb lb lb lb lb OJ OJ 00 00 00 00 oo oo UJ Ul Ul Ul Ul Ul UJ Ul Ul Ul Ul Ul Ul Ul Ul Ul U) OJ 00 OJ oo oo OJ OJ Ul OJ oo UJ Ul Ui UJ UJ UJ

O VO VO VD VO CO CO 00 00 00 00 00 00 •J -3 ~ >0 ! ~ ^1 1 cn Ol 01 01 01 01 on on on on Ul on on on lb ib ib ib ib ib ib

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2 O Ω

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M t M M M M o M M 00 eo CO co 00 M to on on on lb lb on Ul on CO -J Ol Ol lb 01 ] vo oo ~J Ol ^j on cn vo 00 00 oo ^1 ui O Ol 00 VD ro 00 cn VO vo on o M ! CO on lb on Ul M M vo o on to M -J VD o o M M Ol Ol lb cn CO 00 on ^1 o ^1

Ul VO lb M M -o to vo on on oo to Ol VD to on 00 on M 00 vo CO M -O oo M O lb lb CO 00 M vo 00 to t o lb o ^1 M

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01 to vo o M vo ! VD Ul lb 00 M OJ o 00 vo vo -J CO o lb lb on oo on to ] 00 ^1 Ol vo lb to M -J M lb lb eo o on o

M M M M M M M M M M M M M M M M eo M M M M M M M M M M M M M M M M M M M M M M M M M

Ul 00 lb on Ul lb on OJ to 00 OJ on cn ^1 ^1 vo o VO 00 00 -J ] 1 ~j ^1 on on lb lb o o M CO 00 lb on ui lb oi ui lb on

UJ O M lb Ol lb o Ol cn J oo eo eo VD on -j CO 00 ^1 lb -J ] on to 00 00 -o 00 cn Ol Ol lb on Ol to 00 o lb lb eo Ol ^J

00 to VD vo to Ul ^1 M M CO 00 lb o -J o vo on 00 ^1 eo ] 00 o CO to o lb on M 00 oo VD Ol o CO o CO Ul D 00 CO 00

00 OJ 00 00 00 00 OJ OO oo oo OJ oo Ul Ul oo lb lb lb 00 OJ OO Ul OJ J OJ oo 00 oo oo OJ oo 00 Ul Ul oo 00 00 Ul 00 00 00 oo o lb lb on Ul cn on 00 ^3 -J cn cn ~J co oo eo CO M vo CO ~3 Ol oi 00 cn on on on on lb 00 lb lb on on on on Ul lb lb lb lb

00 VD lb O CO _^) OJ lb on -J ^1 VD UJ M o en o O OJ o Ul ^1 VD 00 01 01 VD 00 en M VO lb on oo on O o Ul on lb lb 00

^3 lb VO to on ^1 -J O 00 M lb oo on -J to 00 oo to lb CO lb UJ M IO t ^1 -J M o vo M lb VD on CO lb ^ vo Ol vo lb lb

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb lb lb lb lb lb on lb lb lb lb lb lb lb lb lb lb lb lb 00 OJ Ul Ul Ul UJ OJ to CO to CO CO CO CO to M M M M M M M o O O O O O O

TJ H H H H H H hi H H H H H TJ J TJ J TJ TJ TJ > > > > > > > < < < < < < H H H H H H H

3J Ki Ki Ki Ki Ki Ki Ki Ki Ki 33 33 33 3J 33 33 33 tn cn cn in tn m CΛ ω > > > > > P P P P P P P

O 33 33 33 33 33 33 33 33 33 33 33 33 υ O υ O υ υ O TJ TJ TJ TJ TJ TJ TJ TJ P P P P P P P t ts ts ts ts ts ts

3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 O Ω Ω O Ω Ω Ω 3 o Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω

EC ts ES CJ LS D 63 ω 63 CJ CJ D 63 03 63 03 CJ 63 63 t to to ω M M CO M > 63 to M M M to >

to to to M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M o M o lb on on ^1 on ^1 co VD VD vo 00 ^J vo 00 Ol ^1 ^•^1 ro to Ul lb on on on on oo on lb OJ Ul Ul t lb 00 eo

01 1 on ^1 00 o vo M lb lb ui lb ui ^1 M 1 vo lb 1 o cn cn CO Ol 01 1 lb 01 lb to to 00 CO 00 vo M on o on VO 01 M M lb 00 1 00 ^1 CO on Ul co lb cn OJ J o to t lb cn lb 00 VD ro on CO VD lb to vo lb M M on o o to vo 01 M

Ul J oo Ul Ul OJ Ul 00 UJ oo l Ul 00 Ul 00 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb CO 01 ^1 cn Ol on Ul ^1 Ol cn 00 VD vo to to M to M o M o M M o M to lb oo lb Ul lb oo lb OJ lb vo cn Ol ui o vo on Ol Ul cn lb Ul on on on VD on 00 to M 01 on to Ol VD o Ol -0 to lb on ^3 lb lb vo vo cn CO vo eo vo 00 to lb M Ul oo to vo o cn M lb 1 on eo to 00 00 00 lb 00 ^1 M oo vo oo ^1 Ol o on ^1 vo VD lb oo 00 to M 00 on M Ol to to to M M M M M M M M to M to M to M M M M M M M M M M M M M M M M M M M M M M M M M to o M Ol 01 00 00 on ^1 CO vo o VD o vo o o 00 VD CO cn on 1 on 01 Ol on on on M Ul UJ oo 0J M eo o o vo M eo

Ul O o UJ VD o ^1 on to 00 M t Ul M Ol lb vo vo to lb lb t on eo on CO 00 vo o 00 00 Ul on to cn UJ M oo vo M M M on o VD oo ^1 VD vo vo CO M oo Ul cn 01 M to ^3 o M CO CO to to on to on Ul lb o ^ 00 Ul 00 M M o t to to Ul OJ oo 00 00 UJ Ul 00 l Ul 00 Ul 00 00 00 00 00 oo 00 00 00 0J 00 00 Ul 00 00 00 Ul Ul 00 0J Ul Ul Ul 00 OJ oo 00 vo vo vo to M M M M M M o o M to M M M M M M M M on lb lb 00 M M M M o M M M M ro to M to to eo eo on Ul CO to M ro lb o lb Ul vo to to M Ol M Ul Ol cn ^3 00 CO ^ lb on M vo σi lb CO lb Ul M 00 CO oo Ul oo M o Ol 01 M lb to M OJ Ul 00 ^1 lb vo 0J Ol o 00 on vo to ^1 to M 00 lb oo o CO to lb on to VD o Ul CO lb 00 t 00 on CO eo

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

Ul Ul Ul Ul Ul Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

O O o O O O O VD VO VO VD VD vo vo vo CO oo 00 oo 00 00 !

ft cn Ol Ol O Ul Ul Ul Ul Ul Ul

H H H H H H M > > > l > > > > Ω Ω Ω Ω Ω Ω P P P P

P P P P P P P in cn in CΛ cn in in m κ| Ki Ki Ki Ki Ki rs ts rs rs tS rS tS rS 33 33 33 33 33 3J 33 3J 33 33 33 33 33

LS LS ES ts LS ts IS TJ TJ J J TJ TJ TJ TJ cn CΛ in to cn in G G G G G G G G O O O O O O O O O O O O O

Ω Ω Ω Ω Ω Ω 3 o Ω o O Ω Ω Ω 3 o Ω cn Ω Ω 3 o Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω

CJ 63 63 03 > CJ t 63 03 > 63 to > J ti Ω 00 > Ω 03 > CJ Ω 03 > D

M M to to M CO M

eo eo CO to eo CO CO CO CO CO to CO to CO CO eo eo co CO CO eo to o M M M to to t to to to CO to eo to to CO M eo to M

Ul OJ oo M OJ 0J to lb 00 o M M to co to M eo on lb OJ CO to to vo 00 VO O M to to to on on oo lb Ul M CO VO M M VO o M lb 01 M on 00 o M vo to on on Ul vo on on 00 lb oo lb VO oo o cn Ol lb on lb to on on o cn lb to to o CO NJ -J lb

ID on cn eo M vo 00 oo on on CO M CO O 00 00 lb on lb M oo 01 vo on OJ VO 00 00 M o ι vo on oo 00 on Ol -J o ^1 cn CO

00 eo eo oo eo oo to o 00 to to to eo to 00 oo OJ 00 00 OJ 00 OJ 00 OJ oo oo Ul 00 00 oo 00 oo Ul oo 0J OJ oo oo o ^1 00 o vo o vo o o Ol J ^1 ^1 VD o M M 00 eo M t o M 00 M to M ro OJ on lb cn on lb 1 on on Ol 00 00 ^1 00 eo co lb M vo lb 03 VD M ro 00 00 vo on o ^1 M 00 on Ol IO CO CO 00 -J on 03 Ol to oo ui to M VD eo Ul cn on on 00 VD Ol

OJ M CO on M on oo vo ^1 on lb M 00 O lb 00 lb to on o oo to lb o 00 VO O ^3 on CO ui on 00 00 CO M to OJ 00 CO on Ol

OJ OJ 00 00 00 oo oo 00 00 oo 00 0J o OJ OJ 00 0J to OJ J to to to to to to to to ro to to ro CO to eo to eo CO co co co ro

01 VD oo oo 03 on on lb lb oo on lb 00 OJ M M M vo o o vo -J ~J on lb on on 01 on cn ui lb on lb lb lb OO oo lb lb 00 to en on CO eo O 01 on o OO -J to M to M VO ~J 00 CO on M M lb CO 00 on M to vo vo cn oo lb CO ~0 00 CO on ^j lb lb CO VO o oo o lb on co on to o Ol on lb M cn ui on on to -j CO 00 1 o on to CO 00 00 00 on -J o ] Ol eo VO Ol CO o CO ~J to lb lb lb lb lb lb lb oo OJ oo 00 lb Ul oo OJ 0J 00 00 0J Ul 00 OJ 0J to 00 oo 00 Ul OJ CO ro to eo to CO CO to CO CO to CO to

M 00 CO eo M M o vo vo vo vo O VD oo ] 01 Ol on on on lb OJ to VD O o o M o VD vo oo VD vo o vo vo vo VD vo vo vo

CO o ] 00 vo M M on 0J CO -j O O cn on on CO vo ^1 on o to ^J lb OJ lb -J lb on -J vo cn o lb CO as CO M M Ul to o

CO on o on oo VD o vo oo lb 00 ^1 O cn CO cn 00 oo vo oo lb co OJ on lb lb on CO o VO oo -J eo o 00 on lb ^ on cn M 00

on on on on on on on ui ui ui ui ui ui on on ui ui on ui on on on on on on on on ui on on on on ui cn cn on on on on ui oo to to t o

> > H H ι-9 H ι H •9 H ι9 H H H H H H •9 ■9 H cn cn cn cn cn Ω Ω Ω Ω P P P P P P P P P

P P P EC EC EC EC EC EC EC Ki Ki Ki Ki Ki Ki κl Ki rs rs rs rs rs rs P P P P Ki κ| Ki Ki P

> > > 33 33 33 33 33 3J 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 hi Ki cn CO CO co LS

Ω Ω 2 O Ω Ω O Ω Ω 2 Ω O Ω Ω Ω Ω Ω Ω Ω Ω 2 o Ω Ω Ω Ω 2 O Ω Ω 2 o Ω 2 Ω Ω Ω o 2 o ro > 63 63 ro > EC ES O ts CJ 63 03 > 63 03 63 CO > to to to > > ts ts Cl

to eo to to eo ro to eo eo oo oo to to to to to to to to to to to to to eo to oo oo eo to to on on on on o o o vo on on o vo o vo o ui on oo on o on on on vo oo vo vo cn to cn to on o cn oo oo on o vo on cn oo vo ui o o on o cn vo to on en to on to o on eo to to to eo to eo eo to to t t to to to to ro t to to to to oo eo o t to on on oo eo to to oo on on cn on on cn on vo vo eo oo eo to vo co oo on oo on o eo o on cn cn on cn ι to oo on to o on to on eo o on o o o ! cn o to o o vo eo o o co oo to to to to to oo oo oo oo oo oo oo oo oo oo oo o oo o o to on on on to on on cn oo co o ! on on on

vo - eo on cn o co cn vo cn oo oo oo on on oo o on on on on to vo to vo o to vo vo oo oo oo oo oo oo oo oo oo oo o o o to ro t vo oo ι on on on on on on on on cn cn ! vo o o on eo oo oo o o o on on oo on o to ui o on oo on on on on on to t to on o co o on o

456 ALA C 24..69 20..84 25..75 29..64

456 ALA 0 23. .53 20. .96 26. .16 29. .39

457 GLN N 24. .99 20. .68 24. .46 28. .40

457 GLN CA 23. .96 20. .70 23. .44 27, .10

457 GLN CB 23. .76 22. .14 22. .96 27, .14

457 GLN CG 22. .82 22. .30 21. .77 26, .89

457 GLN CD 23. .19 23. .49 20. .89 26. .89

457 GLN OEl 24. .36 23. .87 20. .81 27. .88

457 GLN NE2 22. .21 24. .06 20. .21 25, .21

457 GLN C 24. .27 19. .82 22. .22 26, .69

457 GLN O 25. .43 19. .63 21. .85 27. .14

458 PHE N 23. .21 19. .30 21. .61 25. .19

458 PHE CA 23. .30 18. .51 20. .39 24, .48

458 PHE CB 23. .40 17, .01 20. .68 23. .75

458 PHE CG 24. .77 16, .58 21. .10 23. .77

458 PHE CDI 25, .80 16, .42 20. .16 22. .57

458 PHE CD2 25, .09 16, .46 22, .46 22. .93

458 PHE CEl 27, .11 16, .16 20, .56 23. .54

458 PHE CE2 26, .39 16, .20 22, .87 23. .99

458 PHE CZ 27, .41 16, .04 21, .92 23. .51

458 PHE C 22, .08 18, .88 19, .58 24. .66

458 PHE 0 20, .97 19, .02 20, .11 23. .60

459 GLU N 22, .30 19, .07 18, .28 25. .02

459 GLU CA 21, .24 19, .48 17, .39 25, .88

459 GLU CB 21, .22 21, .02 17, .35 25, .04

459 GLU CG 20, .17 21, .64 16, .41 25, .36

459 GLU CD 19, .98 23, .15 16, .61 24, .90

459 GLU OEl 20 .98 23, .89 16. .76 24, .20

459 GLU 0E2 18 .81 23, .60 16, .60 23, .69

459 GLU C 21 .36 18, .89 15, .98 26, .74

459 GLU 0 22 .46 18, .70 15. .47 27. .71

460 HIS N 20 .21 18, .57 15. .40 27. .39

460 HIS CA 20 .12 18, .02 14. .05 27. .90

460 HIS CB 19 .98 16, .50 14. .09 27. .17

460 HIS CG 21 .28 15, .77 14. .12 26. .41

460 HIS CD2 21 .78 14, .88 15. .01 26 .27

460 HIS NDl 22 .26 15, .96 13. .17 26 .59

460 HIS CEl 23 .31 15, .22 13. .47 26 .13

460 HIS NE2 23 .04 14, .55 14. .59 26 .17

460 HIS C 18 .91 18, .62 13. .36 29 .16

460 HIS 0 17 .99 19, .13 14. .01 29 .12

461 THR N 18 .93 18, .58 12. .03 30 .67 cn σi cn σ cn cn cn cn cn cn cn cn cn on on on on on on on ui ui oo oo ro to to eo eo to

TJ > l» > > > > > > > > P P P P P P P P P P P P P P P P H H H

33 33 •pa 33 » •pa •pa •pa 33 33 33 33 IS rs rs rs rs rs rs rs rs rs rs rs IS rs IS ts P P P P P P P P EC EC EC EC EC EC

O 63 63 63 63 63 63 63 63 63 63 63 G G G G G G G G G G G G G G G a ts ES LS LS rs t ES ES 33 33 33 33 33 33

2 O Ω 2 3 Ω 3 Ω Ω Ω Ω 3 O O Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 o Ω Ω Ω Ω Ω Ω 3 o Ω Ω O Ω Ω

EC EC ts rs t 63 03 > t t 63 to > ti t 63 03 > CJ 63 63 03 to ro > 63 63 03 > to to eo

M M M M M M M M M M eo to o vo -o oo vo o on lb lb to on lb on on 1 o on 1 on oo on oo lb cn o vo on o o cn to on ui vo vo to M oo co oo eo to lb vo lb cn lb on o M on on

VO o M M M M M M M M M M to eo to o eo lb on lb on on Ul on on on O cn on Ul Ul O o M vo vo eo o on on vo M lb vo o vo vo cn M 01 lb vo M o to ro o cn eo on on M vo vo o eo on o en oo vo M vo o t on eo co o on vo 01

M M M M M M M M M M M t eo oo on on O o vo on ui on o vo to to M o o o o o o o M o o oo cn 1 o o lb M lb vo lb on on to to oo vo oo o cn o to o lb cn eo eo o lb o on vo cn on o o to ui to oo on to vo lb vo

Ul Ul on on on on on lb lb lb lb lb lb oo oo Ul oo oo eo M t to to M o vo -o cn lb on M vo oo on Ul to to to o o on oo oo to on oo M M cn on cn M oo oo o oo to on ui on on on vo vo oo o oo o on to ^1 on to vo to vo

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ] 1 ^1 J ] ] ^1 ^1 l ^1 ^1 1 ^1 ^1 on on Ol 01 Ol 01 Ol Ol on Ol cn cn as en cn cn cn cn cn on Ol 01 Ol Ol Ol Ol Ol 01

M M M M M O O O o O O O O O vo vo vo VD vo vo vo vo vo 00 oo co CO CO CO ^1 -j - ! ^1 o ^1 Ol O Ol 01 Ol 01

Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P Ω Ω Ω Ω Ω Ω ^pj P] P3 P ^p] TJ TJ TJ J T3 TJ

P P P P P P P P P Ki Ki Ki Ki Ki Ki Kj K; Ki Ki Ki Ki xi EC EC EC EC EC EC EC 33 33 33 33 33 33

P P P P P G G G G G G G G G to CO cn cn 1Λ cn cn n cn cn in cn CΛ cn cn 33 33 33 33 33 33 33 O O O O O O

Ω Ω Ω Ω 3 O Ω O O Ω Ω Ω Ω 3 o Ω 3 Ω Ω Ω Ω Ω 3 O Ω cn Ω Ω 3 O Ω Ω O Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω 03 ES ES Ω to ts ts Cl Ω to Ω 03 Ω 03 to M to M α > Ω 03 > Ω to M > > σ

M M M M M M M M M M M M M M M M M M M M M M M M M M M

^1 VD CO CO O Ul cn CO cn ~J ! on on lb lb oo M eo M to M M M O O to M vo VD 00 00 1 vo 00 ^1 ^1 on cn on on on ^3

Ul M cn O CO 00 to lb to CO O Ol lb o o lb 00 oo VO oo Ol VO 00 to Ul lb M vo M lb lb Ol Ol Ul cn to lb M ^1 ui 00 M

VD 1 lb lb O VD o Ol 00 VO CO Ol lb ro vo on lb lb lb on VD Ul to to M ι CO Ul Ul ^1 ^J ^1 OJ o ^1 ^J M ^1 M lb CO Ul

Ol

VO

•^"' M M M M M M M M M M M M M M M M M M M M M M M M M M

M OJ CO 00 CO lb to to CO to CO IO M M vo o vo VD M M O O vo M VO oo ^1 oo VD ^1 00 00 VD CO CO O vo o OJ eo M 0J lb CO OJ M 00 o CO co 00 on O eo oo co on cn lb 1 M 00 lb ] Ol M VO i 00 ^1 M o M J M ro cn O ^1 lb ^1 eo vo cn to vo on on to on on to ^1 Ul ] ] vo lb eo 00 o M M oo M O ^J CO ] en ~J on M o oo oo Ul lb M M OJ on M oo lb oo

M M M M M M M

M M O VD 00 00 00 oo J Ul on on ι -O ι ^1 OJ to to O VD CO ^1 Ol on lb ui Ul lb lb OO o M M eo to oo 00 M M CO M lb VD CO ^1 00 to M on CO vo OJ CO CO on 00 00 00 on O Ol 01 M 00 O 00 00 M Ul 0J o o o M eo on lb ^3 o 00 on VD CO

VD OJ CO CO 1 lb -O O eo M M M oo 00 oo 01 cn o on O lb Ol 00 M to O OJ ui CO 00 00 o vo ^1 o cn O cn cn to O oo lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on Ul on Ul Ul Ul Ul on on on U Ul on on on on on on on ui to eo eo CO 00 Ul Ul lb Ul lb lb on cn ι oo CO 00 00 00 VO VO VO O CO CO ui 0J oo OJ lb lb on Ul lb lb J o 00 CO eo eo CO to CO eo lb 00 cn M cn -j on 01 lb o lb on 00 01 ^1 on O lb -J VD M OJ lb OJ M vo 01 CO o Ol ^ M on to o o OJ on oo

^1 on on lb to on oi to M eo ] 00 M as vo o ^1 lb σi Ul 00 O to M O co lb -j oo to J co CO -J lb 1 cn -o vo CO O O

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb lb lb lb

O ~J ~J ^1 ^1 ^1 ^1 ^1 -J ] ^1 -J -J ~J ] -O -J ^1 ^3 -O ^1 -J O ^1 _^) ^1 ^J -O -J -J -o ^1 ] ] ^1 ^1 cn Ol Ol Ol cn 01 01 Ol on on on Ul lb lb lb lb lb lb lb lb lb lb lb oo OJ OJ 00 Ul ui to co eo eo eo co co M M

> > > > > > > > > > > > Ω Ω Ω Ω > > > > > > > > > > cn cn cn CO CO cn < < < < < < < < < tn cn tn cn cn cn tn tn cn CO to to P P P P 33 33 ^■pa 33 33 33 3J 33 33 33 33 rs t rs rs rs ts > > '

TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ TJ J j Ki Ki Ki 63 63 63 63 63 63 63 63 63 63 63 33 33 33 33 33 33 P P P P P P P P P

Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω 3 O Ω Ω 3 O Ω 3 3 Ω 3 Ω Ω Ω Ω 3 Ω Ω O Ω Ω 3 0 Ω Ω Ω Ω Ω 2 0 Ω a to > α 63 J 63 Ω ro > to α to

M > > EC EC IS CS C CO M ω > 63 03 > Ω eo M

00 Ul 00 to oo to OJ OJ 00 J t to to to to to to to t to to to to to to to to to to to CO ro to to eo M M M M M eo M o M o VD o vo to M M o VD co cn J ^1 on lb lb o to M M OJ 00 to OJ to lb OJ M CO to M to M VD oo vo VD 00 o vo

M o lb VD lb vo M 00 on OJ OJ 00 CO on o -o vo 00 M to 00 ] M to on lb ] to to lb to lb M o o vo on o ^3 -o eo M lb M on to J on UJ cn OJ ^1 00 o 00 ^1 vo 00 on o M M -J vo σi on VD cn vo o to cn 00 on cn VD vo vo cn OJ o VD Ol lb

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

OJ Ul M M CO VD vo o vo co vo o o o to to to to o M o o o o M 0J lb ui on -J ] cn cn on Ul cn ~0 on lb lb oo oo

CO O 01 o vo _^) o OJ OJ lb to oo 00 00 o OJ ^1 ] ui to -J lb on on 00 o M o 00 lb -J lb o o oo -J eo M VD lb o Ul

^J lb lb Ul lb OJ lb to lb ^3 lb 00 o t t 00 lb M M on lb lb lb vo o cn lb t vo ] M on Ul o on M M lb Ol ] o o

M M M M M M M M M M M M M M M M M M M M M M M M M

OJ Ul lb OJ oo to vo o o o M o M o o o CO vo lb on lb 00 to M o o VD o VD M VD VD CO cn ] on ^1 Ol Ol -J 00 00 o VO CO o on ^1 M VD eo cn lb -J CO vo M cn cn CO ] to 00 M -J M on lb ^1 Ul CO o oo o lb ^J OJ o o o oo oo oo o

O Ul to O 1 co to to o lb ] UJ o ^1 vo VD lb en lb oo VD ] o 00 M VD 01 o 00 Ul VD 00 CO o OJ CO M Ul oo ui to cn

00 OJ OJ OJ lb lb lb lb lb lb lb lb 00 oo OJ OJ oo 00 OJ o oo oo OJ OJ oo OJ 00 OJ Ul Ul Ul OJ Ul 00 OJ lb OJ OJ 00 lb lb lb

VO VO co VO o o Ul on lb eo M o 00 vo 00 00 o 00 Ol on cn o Ol cn ^1 ^ CO co 00 n ^1 CO 00 00 00 o vo vo vo o M M vo on CO -J -J on oo M on on o Ul 00 oo ] OJ 01 o to OJ oo o 00 VD OJ VD to CO lb Ul o ro on M vo M 0J 00 cn lb lb 00

Ol on Ul CO vo M o 00 Ul ] 00 on ro oo t o vo M 00 vo to Ol Ol to o 00 on lb Ul CO o -J ^1 Ul ^J lb eo 01 oo VD o 00

Ul Ul lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb ib lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb o o M M M M M M M M M O 1 ] O ^1 ^1 ^1 ^1 ^1 -J -J 1 J ^1 ^1 J ^1 to M Ul on on Ul Ul Ul Ul ui Ul Ul Ul Ul Ul Ul Ul Ul ui ui ui ui 00 00 00 CO CO CO CO CO 00 00 00 00 00 ^1 -J -J -J

Ω Ω 33 33 33 3 33 3J 33 33 33 3 33 33 33 33 33 33 33 33 3 33 β β β P3 ^p3 ^pj ^p] ^p3 3 3 ^p3 P3 ^p3 > O O o o o o o o o o o o o o o o o o o o o o κ; κ; κ; κ; κ; κ; κ; κi κ; κi κi κ; κ; cn cn cn cn tO CO M M M M M M M M M M M M M M M M M M M M 33 33 33 33 33 33 33 33 33 33 33 33 33 TJ T3 T3 TJ

Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω cn 3 Ω Ω 3 3 3 Ω O O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 2 O Ω O O

O O IO M M M vo CO ^1 Ol on lb oo eo M ι9 EC ts ES D ES D Ω 03 CJ O

+ + o VO CO on to ro M M to M

CO CO

M ro M M M to to M to M M to M M ro to M to M M M M eo eo to to to to to to to to ro CO CO to ro oo to CO M CO vo VD o o on M lb cn to on Ol ro o cn o vo ^1 vo 00 lb UI on on cn on on 00 CO ^1 CO vo VO o 00 to on VO on lb on lb M o VD o M ^1 to to Ol 01 O lb on O en vo ^1 00 vo 00 vo M to M M o M 01 oo 01 VD

M oo on M OJ lb to lb ^1 oo on lb vo on vo Ol on O M oo OJ Ul M cn to M o o M o O CO o Ul lb o Ul

ON SO C to to oo 00 J 00 OJ 00 Ul Ul 00 00 to 00 ro to to to eo CO eo to M M M M M M M M M M M M M M M M M on on oo M OJ M to to M M M o vo o vo ^3 vo CO CO vo oo eo eo to oo ^1 Ol on on on lb 00 CO to M M lb Ul oo cn M VD 01 to VD M cn M vo vo VD M t on o Ul M eo lb on lb on to Ol 00 on to Ol CO M o lb co Ol vo CO oo on M 00 o t vo to oo on M Ul o CO o OJ on o on o lb vo lb o lb Ol lb cn Ul 0J Ul Ol lb o o o

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131 LYS CE 17..30 9..72 -2..41 59..97

131 LYS NZ 16. .19 10. .68 -2. .14 60. .26

131 LYS C 21. .35 11. .71 2. .02 59. .99

131 LYS 0 22. .51 11, .34 2. .17 59. .93

132 GLY N 20. .53 11. .96 3. .03 60. .38

132 GLY CA 20. .98 11. .77 4. .40 61, .01

132 GLY C 20. .35 10, .49 4. .93 61, .45

132 GLY 0 19. .79 9. .71 4, .16 61. .61

133 GLN N 20. .42 10, .27 6. .23 61, .86

133 GLN CA 19. .82 9, .07 6, .78 62, .49

133 GLN CB 20. .09 8. .97 8. .28 62. .33

133 GLN CG 19. .50 7. .73 8. .93 62. .03

133 GLN CD 19. .48 7. .81 10. .44 62. .01

133 GLN OEl 19. .19 6. .83 11. .12 62. .08

133 GLN NE2 19. .79 8. .98 10. .97 62. .00

133 GLN C 18. .31 9. .10 6. .55 63. .07

133 GLN 0 17. .60 9. .97 7. .06 62. .95

134 GLU N 17. .82 8. .14 5. .77 63 , .90

134 GLU CA 16. .39 8, .02 5, .48 64, .51

134 GLU CB 16. .19 7. .59 4, .02 64. .49

134 GLU CG 16, .55 8. .66 3. .01 64. .73

134 GLU CD 16, .33 8. .23 1. .56 65, .02

134 GLU OEl 17, .10 7. .38 1, .07 64, .90

134 GLU OE2 15, .38 8. .74 0. .93 65, .00

134 GLU C 15. .78 7 .00 6. .44 64, .89

134 GLU 0 16. .31 5 .89 6. .58 65, .03

135 CYS N 14. .69 7 .37 7. .09 65, .31

135 CYS CA 14. .03 6 .49 8. .06 65, .76

135 CYS CB 14. .15 7 .07 9 .47 65, .77

135 CYS SG 15. .81 7 .65 9 .92 66, .28

135 CYS C 12 .54 6 .29 7 .74 66, .05

135 CYS 0 12 .00 6 .92 6 .83 66, .12

136 GLU N 11 .89 5 .39 8 .49 66 .38

136 GLU CA 10 .47 5 .12 8 .33 66 .70

136 GLU CB 10 .19 3 .61 8 .34 66 .99

136 GLU CG 10 .51 2 .87 7 .03 67 .37

136 GLU CD 9 .96 1 .44 7 .00 67 .77

136 GLU OEl 10 .02 0 .80 5 .92 67 .63

136 GLU OE2 9 .47 0 .96 8 .04 67 .65

136 GLU C 9 .72 5 .77 9 .49 66 .71

136 GLU 0 10 .18 5 .71 10 .63 66 .53

137 TYR N 8 .58 6 .39 9 .21 67, .02 M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M on in tn Ul Ul Ul m Ul Ul Ul Ul Ul Ul Ul Ul Ul on on on on on on on on UJ UJ Ul Ul OJ OJ 00 00 OO 00 OO 00 00 OJ 00 on ui Ul Ul Ul ui lb lb lb lb lb lb lb lb lb OO OJ OJ J OJ 00 oo oo 00 00 CO CO oo 00 00 00 ^1 ] ^1 ^1 ^1 ^3 O ^1

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M cn 01 Ol O Ol Ol Ol 01 Ol on on Ul on ui Ul ui Ul Ul on on on ui Ul ui ui ui ui Ul Ul Ul Ul ui Ul Ul Ul Ul Ul ui Ul Ul Ul Ul o o O o O O O O O VD vo VD vo vo vo vo vo CO CO CO CO 00 00 00 00 ~J -J ~J ! -J cn 01 Ol O 01 Ol O Ol Ol ui ui ui

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IS ts J Ω 03 > ti ti 63 03 > D CJ 63 03 to O M > ts ts CJ 63 ω > ts

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Ω Ω Ω Ω 3 Ω Ω Ω Ω α Ω Ω 3 O Ω O O Ω Ω Ω Ω 3 O Ω O O Ω Ω Ω Ω O Ω O Ω Ω 3 O Ω Ω Ω to o

> CJ Ω Ω CO > ts ts Ω 03 D Ω 03 Ω 03 > 00 to to > M M t M α > ts ts to M >

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M to oo lb Ul lb on on o M to to lb lb cn Ul 00 lb lb lb lb on lb on lb σi 0J lb lb oo oo M eo M oo vo o VD vo CO cn ^1 03

Ol lb vo Ul CO vo o ui vo co co to CO lb 00 0J lb M CO -J M CO 0J lb M vo VD ^1 lb 00 vo 00 on UJ J M eo o co lb 00 M

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UJ ^1 CO to eo o on on on vo on lb vo M 1 OJ o 00 00 CO M O CO o Ul CO lb CO M vo lb on eo lb o ^1 1 vo VO t CO Ul

00 on co oo 1 lb ^1 lb 00 Ol on ] Ul M vo Ol on 00 -j ~J VD VD CO to Ui M M oo M lb vo cn Ul CO o lb 00 ui -J Ol 00 00

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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 M 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 o M M M eo M M to oo o eo CO lb lb lb o VD vo 00 ^1 01 Ol lb on on on on Ol 01 ui on 00 lb Ul 00 lb ui O 01 cn 01

Ul 00 Ul to o M vo Ol o -~J CO 00 M lb VD lb on cn ι to CO CO CO Ul M M Ol vo CO Ul on Ul lb o o on M o 00 01 VD OJ lb 00 o M o lb eo lb vo vo cn Ul 00 vo o Ol o Ol CO ! VO 00 o to ] 00 Ol o on 00 o ^3 vo J ] M cn VD vo Ol Ul on ui ui Ul ui Ul on on ui on on on Ul on Ul on cn 01 cn Ol 01 cn cn cn 01 01 cn 01 Ol cn 01 cn 01 01 cn on on n 01 O 01 on Ol ui ui Ul ui O on ] ! ] -o o ^1 oo vo VD to to eo o M M M to eo lb lb lb lb oo oo lb Ul Ul cn on oi CO 00 VD CO VD vo CO lb M M CO o oo to o 00 Ul ~J ^1 VD 01 03 on o lb o vo 01 ^1 ui to oo M co O on M 00 on M M CO 00 OJ M VD vo lb o lb en M M ui o M Ol 00 M M Ul on ^3 1 lb vo 00 eo OJ M OJ to M OJ ! to eo o oo en o vo ^1 lb lb CO OJ VD M

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> > > > > > TJ J TJ TJ TJ TJ TJ TJ TJ TJ TJ > > > > > > > > > > 3 ^p3 3 3 ^p3 ^p] ^p3 β β

33 33 ^•pa 33 33 33 EC EC EC EC EC EC EC EC EC EC EC tn to tn tn cn tn cn tn tn tn to ιn cn ιn ιn tΛ 33 33 33 33 3J 33 33 3J 33

63 63 63 63 63 63 ES ES ES t rs ts ts ts ts ts ts TJ TJ TJ TJ TJ TJ TJ TJ 2 2 2 2 2 2 2 2 T3 TJ TJ TJ TJ TJ TJ TJ TJ

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^3 oo Ul ^1 lb on on lb vo vo lb lb 00 VD O J o lb en o M lb ^3 Ol oo lb lb M on M oo CO on cn Ol on CO lb

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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 O M o o o o to M Ul t lb CO OJ CO eo M O O o lb oo to ro to to to cn on ui lb to o M M M o M CO o o cn o o lb ui Ol on on OO O Ol o lb 00 vo lb on to to ^3 CO VD lb M Ul vo vo 01 to on to cn o -0 on o ui to vo o 00 to ^1 to M Ol O to M 00 ^3 cn 0J lb lb on M o 00 00 01 co lb cn M 00 M M 01 CO M on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Φ- lb lb on on on on on on Ul on ui ui on on on on on on on ui on on

^1 Ol en on ^1 ^1 cn ^3 ^1 ^1 00 VD VD vo VD O o o M M M to to ro to ro OJ lb lb Ol cn 01 Ul 01 Ol

01 M vo CO lb o vo 00 00 M M O vo lb 0J Ol lb lb lb vo VO 0J M to M vo vo 0J to to on OJ oo lb oo Ol eo o CO to o 01 cn M CO M to M lb M M on Ol M lb lb on lb o 00 Ul o 01 Ol on cn oo o to o cn o lb M to 00 OJ 00 lb 00 M

170 ARG CZ 17..61 13..78 -1..40 47..77

170 ARG NHl 17, .62 14. .09 -2. .69 47. .77

170 ARG NH2 16, .62 13. .04 -0, .90 48. .09

170 ARG C 22, .81 18. .69 0. .34 45. .89

170 ARG 0 23, .75 18. .41 1. .08 45. .94

171 GLU N 22, .92 19. .48 -0, .72 45. .18

171 GLU CA 24, .17 20. .14 -1. .06 44. .42

171 GLU CB 23, .95 21. .11 -2. .23 44. .46

171 GLU CG 25, .11 22. .03 -2. .52 44. .34

171 GLU CD 24, .86 22. .90 -3. .75 45. .00

171 GLU OEl 23, .67 23. .18 -4. .03 44. .74

171 GLU OE2 25, .84 23, .30 -4, .42 44. .85

171 GLU C 24, .64 20. .92 0. .17 44. .02

171 GLU 0 25, .82 20. .91 0. .52 43. .87

172 ALA N 23, .70 21, .59 0. .84 43. .22

172 ALA CA 24, .00 22, .36 2. .04 42. .56

172 ALA CB 22, .78 23, .17 2. .47 42. .79

172 ALA C 24, .45 21, .43 3. .17 42. .26

172 ALA 0 25, .39 21, .74 3. .90 42 , .67

173 ALA N 23 .79 20, .28 3. .29 41. .29

173 ALA CA 24, .14 19, .32 4. .33 40. .69

173 ALA CB 23 .10 18, .21 4. .40 40, .58

173 ALA C 25 .52 18, .70 4 .10 40, .14

173 ALA 0 26 .22 18, .36 5 .05 39, .99

174 GLU N 25 .91 18, .57 2. .85 39. .81

174 GLU CA 27 .21 17, .99 2. .54 39. .61

174 GLU CB 27 .34 17, .73 1 .04 39, .96

174 GLU CG 28 .59 16, .94 0. .64 40, .12

174 GLU CD 28 .77 15, .66 1. .45 40, .75

174 GLU OEl 27 .76 15, .11 1, .94 40, .87

174 GLU 0E2 29 .93 15, .21 1. .61 40, .43

174 GLU C 28 .28 18, .96 3. .01 39, .25

174 GLU 0 29 .20 18, .58 3 .72 39, .69

175 ALA N 28 .13 20, .23 2. .62 38, .71

175 ALA CA 29 .08 21, .26 3 .01 38. .09

175 ALA CB 28 .62 22, .62 2 .49 37, .97

175 ALA C 29 .21 21, .28 4 .54 37, .72

175 ALA 0 30 .33 21, .35 5 .07 37, .44

176 HIS N 28 .08 21. .19 5 .23 36. .68

176 HIS CA 28 .08 21. .19 6 .69 36, .17

176 HIS CB 26 .64 21 .16 7. .21 35, .12

176 HIS CG 26 .51 21 .62 8 .63 34, .48 M M M M M M M M M M M M M M M M M M M M M M M M oo 00 00 oo ~0 O 1 -o _^) ^J l ] -o -J ^3 ^1 ] -J ^1 _^) O ^1 -0 1 1 ^1 ^3 ^1 ^3 ^1 o o vo vo vo 00 00 00 00 00 00 00 00 ^1 ~J ^1 -0 ~J -J 1 ^1 ~J 1 ~J on Ol on Ol Ol Ol

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00 oo Ul OJ o Ul Ul OJ 0J 00 OJ OJ oo OJ oo OJ 00 00 OJ 00 00 Ul 00 oo Ul 00 OJ OJ OJ 00 00 0J 00 00 Ul OJ OJ OJ OJ OJ 00 00 lb lb Ul lb lb lb Ul cn on on Ol on on cn Ol cn cn Ol ] o -0 o on cn 01 Ol O Ol cn cn -J ] 1 σ Ol cn Ol cn J J lb lb on to O 0J to on Ol o o M M ! on o o to on on VO lb lb o 01 lb lb 01 lb to CO vo M 0J M vo on on Ul CO vo vo CO M lb 00 o M eo M Ol 00 00 ] Ul o on OJ ^1 lb lb to to VD -J o on cn on VD 01 vo lb 00 M vo -J o to M M ~j eo O o 00

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

CO 00 00 00 00 CO 00 00 00 oo oo 00 00 oo 00 00 00 oo 00 oo 00 00 CO 00 00 00 CO 00 00 oo 00 oo 00 00 oo oo oo oo 00 00 00 00 on on on on lb lb lb lb lb lb lb lb oo OJ OJ OJ oo oo OJ t ro to to to to t to to to to CO M M M M M M O O ω cn cn ω ES E2 3 3 ES E 3 i P1 P1 P1 P1 P1 P1 P1 P1 P P P P P P P P P ts ES ts S ES ES ts ES ES ES ts ES o5 Ki Ki ι- κ; κ; κ; κ; κ! κ! κi κ! κ; κi κ! ι-<; κ! κi ; κi 3 3

33 33 33 33 hi β P3 P3 ^p P P P P P P P 33 33 33 33 33 33 33 33 33 33 33 33 cn co cn cn tΛ tΛ CΛ ⁽Λ Cn Ω Ω

O Ω O Ω Ω cn Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω 3 Ω Ω Ω Ω 3 O Ω Ω ω Ω 3 > ES α Ω CO Ω Ω 03 > EC IS ES O ES O Ω 03 > IS tS CJ Ω 03 to to M M

lb lb lb OJ OJ 00 00 00 oo Ul 0J Ul UJ Ul Ul 00 OJ Ul 00 OJ oo lb lb 00 oo lb oo 00 00 00 o 00 oo o 0J OO 00 00 00 Ul 00 00

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M lb Ol vo vo lb on on VD lb M lb VO OJ 00 on Ol lb to vo on o on O o oo vo o vo o vo O t oo lb vo co Ol

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M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M 00 OJ on lb Ol lb on lb lb Ul lb Ul M lb to to M M O ^J _^) -J ^1 CO CO 00 CO VD VD M o M o O CO 00 o o to M

00 VO lb cn cn ^3 OJ -o o 00 ^J Ul cn CO to vo on to to CO vo 00 VD o M M M 00 lb eo OO OO M M vo VD to M M M oi ^1 on to on to -0 o eo 00 M Ul M vo to lb M 00 to M O o oo vo OJ lb CO vo 00 M eo to Ol CO lb o 00 M cn to t

00 00 OJ Ul oo OJ lb lb 00 OJ UJ UJ Ul l OJ OJ OJ oo J 00 OJ Ul 0J oo 00 OJ oo OO 00 00 00 oo 00 lb lb lb 00 oo 00 OJ oo Ul on on Ol 01 01 Ol o o oo on 01 Ul Ul on lb on on on Ul cn cn cn cn cn cn cn on Ol on on to M M vo 00 ^1 cn cn Ol

-0 03 OJ Ul oo lb vo lb vo lb Ol M vo o vo oo on VD oo lb M vo lb CO vo vo on lb on vo CO ^1 O ui to lb vo Ul O ^1 M M on M Ol co 00 VD lb CO o o vo o cn M lb lb Ol to M o αo vo on vo M CO cn OJ M M CO to Ul lb lb o

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

VD VO 00 00 oo 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 CO 00 00 00 oo 00 00 00 00 oo co CO CO CO CO CO

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Ω Ω TJ TJ TJ TJ TJ TJ TJ P P P P P P P P P H H H H H H H H H H H ^►9 ^►9 ι9 ^►9 H <-i H H H H H tn cn

P P 33 33 33 33 33 33 33 Ki Ki Ki Ki Ki Ki Ki P P P P P P P P 33 33 33 33 33 33 33 33 33 33 33 33 33 33 ts rs

Ki Ki O O O O υ υ υ CO o co o CΛ cn cn cn cn CS ts ts ts S ts ts ts TJ TJ TJ TJ TJ TJ TJ TJ J TJ TJ J TJ J 33 33

Ω 3 O Ω Ω Ω Ω Ω 3 Ω Ω 3 Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω

> 63 CO > o CS ts CJ 63 03 > 3 ω EC IS ts t s CJ 63 2 o Ω

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lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo oo 00 00 00 lb lb lb 0J oo oo J lb lb oo lb lb lb lb lb lb lb lb oo lb OJ M to to CO eo M M 00 oo 0J UJ OJ M M o o 1 ] -J CO vo o to M CO vo oo VD M O VD o M to t M CO M ] 01 lb on vo cn 00 00 M CO VD 00 1 VD UJ CO oo M lb lb 00 Ol VD to J CO UJ on lb to on vo O 00 on lb lb on O M Ol on on lb M on 00 M to o 00 oo 00 _^) o UJ on vo ^3 o ^1 00 00 on CO M o 00 vo vo M vo lb Ul lb lb vo vo M lb vo αi to 00

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~ on 00 00 oo cn o o on vo M oo M lb -o -J vo vo Ol CO 00 CO M vo 00 t lb M cn vo M M 00 on 00 oo on Ol O lb 00 to t to to to to to eo CO o to M M to M M to M M M M M M M M M M M M M M M M M M M M M M M M M

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M Ol on to Ol vo cn CO cn O OJ oo OO o M o UJ M oo lb M on 01 oo CO o on CO ro oo O O lb eo O M -J on on M lb o

Ol o t to Ul OO CO M lb CO on ^1 00 M 00 Ul on lb vo oo vo lb CO ι o co to 00 OJ to 00 UJ lb cn 00 o o lb O cn lb

OJ to to 00 OJ oo t 00 oo 00 oo OJ 00 Ul OJ OJ 00 00 oo oo 00 00 00 00 oo 00 00 00 00 OJ OJ Ul oo oo 00 OJ OJ oo oo 00 00 OO o vo vo o o o vo o o o o lb lb UJ 0J ro M to 00 CO lb 00 lb 00 oo Ul lb lb oi on cn O cn cn on cn O Ul on on

lb Ol vo M OJ CO vo CO M on CO vo M vo OJ o 00 cn M vo to VD CO 00 ~J vo to vo lb 01 00 M -J on 00 lb on VD eo o o to on ~J o o on 00 vo 01 ~J o 00 ^1 M UJ M ] cn lb M on on O M o OJ to 1 M oo vo M Ul o 00 M eo lb VD Ol lb vo OJ

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

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Ul Ul Ul Ul Ul Ul Ul Ul Ul lb lb lb lb lb lb lb lb OJ OJ o 00 00 Ul Ul UJ to to to to to to to M M M M M M M O O

Ω Ω Ω Ω Ω Ω Ω Ω Ω H H H H H H H H ES ES ES ES ES ES ES ^pi H H Pi H Pi PI ES ES ES ES ES ES ES ES Ω Ω

P P P P P P P P P P P P P P P P P ts rs rs rs rs rs t rs EC EC EC EC EC EC EC tS ES tS tS ES ES ES ES P P

G G G G G G G G G ts LS ts ES t t t t H j j ^p β Pj pj H 33 33 33 33 33 33 3J Pl p3 β P Pl l Pl κ; κi

Ω Ω O Ω Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 Ω Ω Ω rn Ω Ω Ω 2 O Ω Ω Ω Ω Ω 2 O Ω Ω CΛ Ω Ω Ω 2 O Ω

IS ts ti Ω 03 CJ 63 63 ω to to > t π 63 or 63 63 03 ES CJ Ω 03 >

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Ul UJ 00 00 OJ OO OJ OJ oo OJ oo l oo UJ 00 Ul OJ UJ OJ eo 00 OJ 00 Ul UJ 00 00 OO 00 00 oo 00 00 OJ CO t to to t to OJ to

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246 ASP 0D2 36..91 27,.59 26..91 36..64

246 ASP C 34. .61 23, .40 27. .53 32, .37

246 ASP 0 35. .03 22, .37 27. .03 31, .55

247 ILE N 33. .32 23, .71 27. .57 31, .48

247 ILE CA 32. .32 22, .87 26. .92 29, .76

247 ILE CB 31. .24 22, .35 27. .93 29, .91

247 ILE CG2 30. .75 23, .44 28. .82 29, .78

247 ILE CGI 30. .11 21, .66 27. .18 28, .97

247 ILE CDI 30. .14 20, .18 27. .30 28, .43

247 ILE C 31. .78 23, .87 25. .90 29, .24

247 ILE 0 31, .07 24 .83 26, .23 28 .76

248 CYS N 32, .20 23 .66 24, .65 28 .32

248 CYS CA 31, .88 24 .54 23, .52 27 .99

248 CYS CB 33, .18 24 .85 22, .77 26 .65

248 CYS SG 33, .07 26 .13 21, .54 27 .89

248 CYS C 30, .85 24 .03 22, .53 27 .22

248 CYS 0 31, .06 23 .01 21, .88 27 .44

249 LYS N 29, .75 24 .76 22, .39 27 .26

249 LYS CA 28, .71 24 .35 21, .46 25 .58

249 LYS CB 27, .32 24 .72 22, .00 25 .80

249 LYS CG 26, .71 23 .71 22, .97 25 .18

249 LYS CD 27, .38 23 .73 24 .34 25 .42

249 LYS CE 27, .20 25 .06 25, .05 24 .76

249 LYS NZ 28, .04 25 .14 26 .30 25 .94

249 LYS C 28, .91 25 .02 20 .11 25 .11

249 LYS 0 28, .72 26 .22 19, .96 25 .32

250 ILE N 29, .31 24 .23 19 .12 24 .38

250 ILE CA 29, .51 24 .72 17, .76 24 .65

250 ILE CB 30, .57 23 .90 17 .03 24 .66

250 ILE CG2 30, .76 24 .45 15 .64 25 .23

250 ILE CGI 31, .90 23 .96 17 .80 24 .91

250 ILE CDI 32, .50 25 .34 17 .90 24 .15

250 ILE C 28, .16 24 .55 17 .04 24 .52

250 ILE 0 27, .70 23 .43 16 .82 24 .31

251 ASP N 27, .54 25 .67 16 .69 24 .57

251 ASP CA 26, .25 25 .64 16 .01 24 .19

251 ASP CB 25, .17 26 .13 16 .96 23 .55

251 ASP CG 23, .78 25 .92 16 .42 22 .78

251 ASP ODl 23, .59 25 .71 15 .20 19 .70

251 ASP OD2 22 .86 25 .96 17 .25 24 .45

251 ASP C 26, .35 26 .57 14 .82 24 .46

251 ASP 0 26 .41 27 .78 14 .97 25 .16 252 PHE N 26..39 26.02 13.62 25.61

252 PHE CA 26, .51 26 .88 12 .47 27 .12

252 PHE CB 27, .98 26 .96 12 .01 27 .33

252 PHE CG 28, .47 25 .72 11 .34 27 .77

252 PHE CDI 28, .83 24 .61 12 .09 28 .34

252 PHE CD2 28, .53 25. .64 9 .95 28 .45

252 PHE CEl 29, .24 23 .43 11 .46 28 .96

252 PHE CE2 28, .93 24. .48 9 .31 27 .76

252 PHE CZ 29, .29 23. .37 10 .06 28. .77

252 PHE C 25, .66 26, .31 11 .36 27. .36

252 PHE O 25, .38 25, .11 11 .34 27. .72

253 GLY N 25, .26 27, .17 10 .43 28. .32

253 GLY CA 24, .42 26, .72 9 .34 29. .29

253 GLY C 24, .78 27, .21 7 .96 30. .00

253 GLY 0 25, .38 28, .27 7. .78 30. .29

254 THR N 24, .41 26, .40 6. .98 30. .70

254 THR CA 24, .64 26, .65 5. .58 31. .59

254 THR CB 25, .48 25, .55 4. .99 31, .45

254 THR OGl 24, .88 24. .29 5. .32 31, .47

254 THR CG2 26, .89 25. .60 5. .56 31, .35

254 THR C 23, .27 26, .61 4. .89 32, .58

254 THR 0 22, .30 26, .09 5. .45 32, .73

255 HIS N 23, .20 27, .13 3. .68 33, .56

255 HIS CA 21, .95 27, .11 2. .95 34, .67

255 HIS CB 21, .04 28, .25 3. .43 34, .70

255 HIS CG 21, .32 29. .56 2, .77 35, .39

255 HIS CD2 22, .11 30. .60 3. .14 35, .27

255 HIS NDl 20. .78 29. .91 1. .54 35, .06

255 HIS CEl 21. .23 31. .10 1, .19 34. .98

255 HIS NE2 22, .04 31. .54 2. .14 35. .41

255 HIS C 22. .23 27. .27 1. .46 35. .50

255 HIS 0 23. .27 27. .81 1, .05 35. .10

256 ILE N 21, .31 26. .75 0. .66 35. .86

256 ILE CA 21, .37 26. .87 -0, .78 36. .52

256 ILE CB 21, .59 25. .53 -1. .48 36. .33

256 ILE CG2 21, .36 25. .70 -2, .98 35. .87

256 ILE CGI 23, .01 25. .01 -1. .21 36, .57

256 ILE CDI 24, .10 25. .86 -1. .81 35. .89

256 ILE C 19. .96 27. .36 -1. .05 37. .33

256 ILE 0 19. .00 26. .75 -0, .60 37. .46

257 SER N 19. .86 28. .48 -1. .75 38. .44

257 SER CA 18. .58 29. .07 -2. .10 38. .89 eo to to ro to eo to eo to to eo to to to to eo to to eo eo ro eo to to t eo to to eo eo eo ro ro to cn cn cn on cn cn oi cn cn on on on on on on on on on on on on on on on on on on to to to to to to o o o o o o o o vo vo vo vo o vo vo vo vo vo vo -o

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P P P P P P P P P P P P P P P P P P P P ^pi H H H H H H > i > > > > > H H H H H H ^pi

Ki Ki K ts ts ts t ts IS ts ts t rs IS rs ts t rs ts EC EC EC EC EC EC EC in rn cn in in CΛ cn cn κ| Ki Ki Ki Ki

CO CO CO CO G G G G G G G G a G G G G G G G 33 33 33 33 33 33 33 TJ J J J TJ TJ TJ TJ 33 33 33 33 33 33 33

Ω Ω Ω 3 O Ω

Ω 03 >

to to to to CO t 00 co IO CO eo eo to to to t to t to to to to eo t eo eo to to 00 00 00 00 J 00 00 oo 00 OJ OJ 0J OJ 00

Ol Ol cn oi Ol on M vo VO CO 1 ι on Ol ^1 on cn ] cn ] cn ^J en VD oo 00 vo vo o lb lb oo CO M to o M oo OJ lb OJ CO

M 00 t VD o ^3 o cn 01 VD on cn lb on 00 to cn lb 00 1 eo Ul VD to CO lb ^1 on eo on CO vo on 01 M M Ul -J 00 to 00 o

VO OJ M M lb ι 00 o lb ! ! 1 00 vo o o on on ^1 o 01 o VD on o ^1 M CO 00 vo M VD 00 to vo on 00 lb M M ~J

^J to to M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M to eo M M eo

CO o M to O 00 on ^1 Ol lb lb lb lb lb oo ] J Ol lb OJ CO CO o vo o M M M to o to M M to OJ lb lb M o VD 03 o cn o to lb on on 00 O M ] ] ^1 CO 00 on to oo o ^1 Ol M lb M CO 00 UJ ] oo o to lb 00 CO lb ui -J cn ~J ui VD ^1 o

CO 0J M lb 00 ^3 on CO O on ^1 ^1 on o on o lb vo 01 O o o eo on o eo oo ~J o ^1 M M to 00 cn o M M Ul eo on oo to to to to to to to CO CO eo eo to t to oo to to 00 to CO eo eo Ul 00 OJ CO eo to to CO to to to to to to CO Ui 00 0J eo Ul on cn Ul Ol lb on lb 01 lb on ui ! O CO o VD vo o vo VD VD vo M M M vo vo ^1 oo ^1 ^3 ^1 00 00 vo vo VD CO M o vo M

M oo Ol o oo 00 lb M CO to 00 to o o t VD oi o Ul 00 l -O cn Ol lb vo -j on on 1 lb 00 on oo to o lb o lb on oo cn o cn OO o lb 00 lb O vo M lb vo to ] Ol ^1 o 00 ] 00 VD o CO vo OJ oo on OJ eo o lb 01 to 00 o CO lb on M lb VD lb lb lb lb lb lb lb 00 UJ lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo 00 lb lb lb 0J oo oo OJ OJ 00 00 0J 00 OJ OJ OJ J 00 Ul

00 t ro M eo M vo VO o O M O O M o o M o o o o o vo VD O o o vo VD vo VO VO VD vo VD VD vo 00 00 00 oo 00

-J 00 o O OJ on 00 VO oo 01 CO ^1 01 o 01 CO M vo vo cn 01 Ul -J CO CO Ul M 01 1 lb M 00 oo lb M on M M on M oo lb o o o VO o CO to M lb o 00 to o lb ^1 CO cn ^1 CO o ^ CO Ol on VO o o VD on ~J O to on ] o VD CO o lb eo vo 00

CO to to co CO CO CO to to to to CO to eo to to co co to CO to t to to to to to ro to to to to to to to to to to to co to to

00 00 00 00 00 00 00 oo oo oo 00 00 00 oo 00 oo oo 00 00 00 00 00 oo oo oo 00 00 00 00 oo 00 00 ^J lb lb lb oo Ul Ul UJ Ul to to to to CO eo t eo M M M M M M M M M o o o o o o o vvoo vo vo vo vo oo oo oo oo co ^pi ^p > > > > > > > > > > P P P P P P P P P > P P P

P P P P P in cn to > P P EC EC EC O i >n to to i >n Ki Ki Ki Ki Ki Ki Ki Ki Ki P P P P P j Kj Kj Ki K; 33 33 33 > > > > > TJ TJ TJ TJ TJ TJ TJ TJ in cn cn to cn CΛ cn cn cn P P P P P P P > > cn cn cn ω cn

Ω Ω 3 O Ω Ω Cl 3 O Ω Ω 3 Ci Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω 03 o Ω 3 > 03 > Co Ω Ω J o Ω 03 is 3 O Ω Ω Ω 3 0 Ω 3 ts CJ to α M > Ω 03 > Ω Ω to 03 ts tS O to M

M M M M M M M M M M to M to to to CO eo to to to CO eo CO to eo eo to CO to to CO to to to eo CO to to to to to to VO 00 00 01 oo CO vo 00 VO O VD o M M CO M to on lb lb OJ OJ M co Ul CO 00 CO to M CO 00 00 lb UJ lb 01 on Ol

00 Ul 00 Ol CO to to lb 00 Ol M Ul t to O o OJ M lb o cn on Ul CO to to eo O on M to 00 ro CO o o lb 00 M M CO lb VD lb lb on o 00 cn VD O 00 lb O CO vo Ul M oo ^3 cn lb 00 O M VO 00 CO vo M vo M lb M to to VD VD

-J

IO

OJ M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M on lb OJ oo oo oo to M o o ^1 o 00 VD o M CO to to M O CO t OJ oo lb lb 01 cn lb Ul to to eo M M O M Ul Ol -J o 00 cn M M on on 00 00 Ol oo to 00 M t M M lb VD o lb M on oo 00 M CO vo VD lb 00 O VD CO VD 00 CO to Ul

00 ro vo M 00 oo M M o VD 00 VD oo lb 1 lb M to 00 00 co o VO Ol M to cn oo 00 to 00 on eo lb 00 O O en Ul VD

M to to CO CO ro to to t to to to to to to eo CO to M to to eo to CO CO to eo to eo CO to to to eo eo CO to to t to to eo vo o M eo o lb 00 00 to to Ul OJ lb lb to eo O M VO o o o M eo 00 00 OJ cn lb on on cn Ol cn CO ^1 ~0 Ul ui Ul Ol on vo lb ^ o lb oo co ^1 M VO lb OJ oo to VO vo VD VD CO lb o to O lb to VD 01 eo CO 0J ro M on vo on M M vo ro o 00

00 lb on oo o lb to M oo cn cn Ul Ul VD cn O oo 00 vo 00 vo lb eo o 01 to vo M cn o on oo UJ on ui to VD lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

OJ 00 00 eo 00 to to M M M M to M M M o VD O M O o o O o O O M o o M M M M M M M M M M Ul ui lb

00 ^3 M vo M to lb 01 Ul ui on ui to 01 CO oo M 00 cn to O on cn CO M VD M t ^1 CO 01 t on lb on ro O on ^1 o o to Ol oo VD M M lb CO Ol lb Ol M vo O CO on on OJ on CO lb Ol CO eo lb oo on lb to O CO on Ol vo to o

284 THR OGl 20..09 16..23 20..76 43..77

284 THR CG2 19. .60 15. .58 18. .52 43. .49

284 THR C 18. ,17 13. .27 19. .45 44. .17

284 THR 0 17. .22 13. .50 18. .70 44. .25

285 ASN N 18. .85 12. ,13 19. .44 44. .57

285 ASN CA 18. .48 11. .08 18. .50 45. .16

285 ASN CB 19. .52 9. .97 18. .48 44. .67

285 ASN CG 20. .81 10. .40 17. .82 44. .61

285 ASN ODl 20. .80 11. .21 16, .90 44. .82

285 ASN ND2 21. .92 9. .84 18, .28 44. .34

285 ASN C 17. .12 10. .50 18, .88 45. .73

285 ASN 0 16. .33 10. .12 18, .02 45. .51

286 THR N 16. .86 10. .46 20, .19 46. .33

286 THR CA 15. .60 9. .95 20, .68 47. .41

286 THR CB 15. .55 9. .99 22, .22 47. .53

286 THR OGl 16. .49 9. .05 22, .74 48. .04

286 THR CG2 14. .16 9, .63 22 .71 47. .57

286 THR C 14. .48 10. .82 20 .13 47. .82

286 THR 0 13. .45 10. .32 19, .68 48. .31

287 GLY N 14, .69 12. .14 20. .18 47, .99

287 GLY CA 13 , .71 13. .07 19, .67 48, .17

287 GLY C 13, .57 12, .89 18, .17 48, .32

287 GLY 0 12, .47 12, .91 17, .62 48. .31

288 ILE N 14, .71 12, .72 17 .50 48 .21

288 ILE CA 14 .71 12, .54 16 .06 48 .21

288 ILE CB 16 .14 12, .29 15 .52 47 .61

288 ILE CG2 16 .09 11 .87 14 .06 47 .58

288 ILE CGI 17 .00 13 .55 15 .66 47 .28

288 ILE CDI 18 .41 13 .39 15 .14 46 .43

288 ILE C 13 .84 11 .34 15 .69 48 .86

288 ILE 0 13 .06 11 .40 14 .74 48 .69

289 LYS N 13 .98 10 .25 16 .45 49 .50

289 LYS CA 13 .21 9 .05 16 .16 50 .40

289 LYS CB 13 .72 7, .88 17 .00 50 .77

289 LYS CG 15 .09 7 .37 16 .54 51 .43

289 LYS CD 15 .52 6 .11 17 .28 51 .80

289 LYS CE 15 .74 6 .38 18 .76 51 .90

289 LYS NZ 15 .98 5 .12 19 .52 52 .31

289 LYS C 11 .72 9 .26 16 .39 50 .76

289 LYS 0 10 .91 9 .02 15 .49 50 .65

290 CYS N 11 .36 9 .74 17 .57 51 .35

290 CYS CA 9 .96 9 .98 17 .91 52 .11 to ro to to to to ro ro to to to to to t to to to t t eo co to to to co ro to to t to to to to to to to to vo vo vo vo vo vo vo vo vo vo vo o vo vo vo vo vo o vo vo vo vo vo vo vo vo o vo vo on on on on on ui on oo ro to t o o o o

> > > > > < < < < < < < > > > > > > > > Ω Ω Ω Ω > > > > Ω O Ω Ω

33 •pa 33 33 33 33 > > > > > > > to cn to in cn to P P P P P P P P P P P P P P P P P Ki

63 63 63 63 63 63 P P P P P P P TJ TJ TJ TJ J TJ ts CS ts ES LS LS ES ES Ki Ki Ki > > > > l> co tn

3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 2 Ω Ω o O Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω 2 O Ω Ω 2 Ω Ω Ω Ω 2 O Ω cn Ω t CJ Ω 03 > 63 Ω 03 σ C 3 63 03 3 ω eo M > J 63 ω to M > σ 6

M M > > ro > 6

1 I I 1 M M M o O o ro t oo on to o o o o eo to co oo on on o vo o o to ι o to o vo on oo cn oo vo on o o to o ro to eo cn vo on on eo oo on ui on oo vo l to

Ol ui on on to t oo oo to eo eo oo to to to to o to to o o vo o cn on cn vo vo ro on cn on oo to vo o vo oo on on o o o vo on on on to oi cn o cn o o co ro to to o o oo oo cn cn ui o on on on o o eo eo to oo co vo oo to cn cn on o on cn o vo o ro vo eo on o eo oo t oo on co vo on oo to ro cn oo oo o vo vo vo eo vo cn cn on oo o on to eo on on on on on on on on on on on on on on on on on on on on on on on on on on ui ui on on on on on on to to to oo oo to to eo eo to t to eo to to to to ro to to to to eo oo to vo vo oo oo on vo on vo on eo oo on eo to oo oo to to on to vo oo o ui on to co eo cn o on on o cn vo on on oo to o vo vo eo on

oo oo ro ro o o o o o o o o o o o o o o o vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo vo eo o o o o o o o vo vo vo vo vo vo vo vo oo oo cn cn on on on

Ω Ω Ω Ω Ω Ω Ω Ω > > > Ω Ω Ω Ω P P P P P P P P n cn > > to > cn > cn > cn Ki > > > P P P P P P P P c •pa > ES ts t ES t t t t 33 > •pa •pa G G G G Ki Ki P P P P P P P TJ TJ TJ TJ cn to cn cn in G G G G G G G G Ω Ω Ω Ω Ω

Ω Ω Ω 3 O Ω Ω 3 o Ω Ω Ω Ω Ω 3 O Ω o o Ω Ω Ω 2 o Ω to Ω Ω 3 o Ω Ω Ω Ω Ω Ω 3 o Ω 3 3 Ω Ω > Ω Ω 03 > o Ω ω > Ω 03 > O O Ω to > EC EC ts

o vo vo o o cn ro on on oo cn on oo o o on to on on on o t vo to on cn on vo on vo to on cn o oo on o o eo on vo to oo on co on vo oo oo vo vo on on on o

- . to

Os oo on on on on on oo eo on on vo on oo oo vo o oo co ro vo co on on cn o o o oo vo o oo o cn oo to eo eo co eo eo ro ro ro ro eo eo eo cn on eo vo vo o eo o o eo eo on o oo o o on o oo vo vo o on on vo vo on vo vo -o cn on o cn o on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on on oo oo to to ro eo to oo oo on oo on on on on oo vo on oo o ro ro oo oo cn eo o en cn vo vo o

Ul UJ Ul Ul Ul UJ Ul Ul UJ UJ UJ l J Ul Ul Ul Ul Ul Ul Ul Ul OJ OJ Ul OJ 00 00 Ul Ul Ul Ui Ul Ul UJ Ul Ul Ul UJ Ul Ul Ul Ul o o o O O O o o o o O o o o o o o o o O o o o o o O o O O o o o o o o o o o o o o o

~J o -J ~J -J o cn 01 Ol en en on Ol 01 01 Ul Ul ui Ul ui on on on on lb lb lb lb lb lb lb lb Ul Ul Ul Ul Ul eo eo eo CO CO

< Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω H PH H H H H H H > > > > > Ω Ω Ω Ω Ω > P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P P

P P P P P P G G G G G G G G G 3 3 3 3 3 3 3 3 3 ts ts ES ES ES LS IS ts > > > > > G G G G G

Ω Ω Ω Ω Ω 3 O Ω O O Ω Ω Ω Ω 3 O Ω 3 O Ω Ω Ω Ω 3 Ω Ω Ω 3 O Ω Ω ci 3 O Ω O O Ω Ω Ω CO ES ES CJ Ω 03 ES ES o Ω Ω Ω 03 3 LS LS to M > to M > to M α Ω 03 > O Ω Ω M M eo > 0 > to M α

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M o Ul ^1 Ul on lb lb lb vo o O M M t to lb Ul M o M eo ro oo eo lb OJ oo 00 lb Ul oo to to M o o VD vo o lb lb Ul

VD O lb vo O lb Ol O ui on lb lb on 01 on lb lb Ol o to to M CO vo vo oo lb 00 00 on lb o lb J M eo 00 00 CO lb on o

O Ul M lb -J CO ~0 lb oo on Ol vo cn CO ^1 M 01 on Ol 00 oo lb on lb lb OJ M vo 00 M M CO lb M Ol 00 00 vo cn CO 00 CO

-J to

_^) M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

O 00 vo vo vo O O O ] ] 00 oo o M to Ul 00 ^1 Ol en on Ul lb lb oo OJ 01 lb on on 00 00 M to M M eo eo oo CO CO CO

CO VO -J VD vo on o Ul ui cn O vo t to lb Ul lb OJ on on cn Ul 1 on on vo M vo oo M ] to lb o M cn ] vo eo on o lb

M O o Ol CO on oo lb vo lb O vo Ul O Ol Ul lb J o lb lb Ul to M 00 on 00 to lb lb ] o 00 ] ui eo eo o oo eo ! Ul

CO CO CO eo CO to 00 CO oo eo to oo to to to Ul ro 00 oo 00 CO to to to to to to CO to CO to to to to CO eo CO eo CO eo eo co ui on Ol co 00 o VD o oo VO o VD VO vo O vo to M M o VO CO ^J cn cn M to lb lb lb lb on ui oo ui on -J on CO cn ~j

-J vo CO ui M lb Ol ~J cn -0 VO lb in vo to to lb lb M on CO 00 on to CO lb vo o on to vo 00 to lb -J M lb on cn -o 01 cn eo vo CO vo to vo 00 Ul CO o O CO Ol vo ^1 Ol -J vo lb M 00 Ol 00 ] 00 on 00 on VD Ol vo lb o Ul ro cn M vo M cn M VD on Ul Ul Ul on on on U on on on on Ul Ul Ul on on on on on on on on ui on on on ui on on on on on ui on ui on on on on on on

M M M M M CO CO CO ^3 O cn on lb 00 oo 00 00 00 00 00 00 OJ oo 00 to to M to CO CO to CO to to to CO CO 00 00 cn 01 cn

M M o oo lb M 00 00 CO o cn cn M lb lb Ul lb o CO 00 lb on CO M VD vo o M eo on o on ~J ^1 Ul •J vo lb lb 00 o o

01 eo CO on vo on o o lb o o o Ul o o M o Ol ^1 vo Ol lb CO 00 J ^1 oo Ul 00 CO o VD o 01 t o CO M lb cn M to

OJ 00 Ul UJ Ul 00 Ul UJ Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul oo o 00 l OJ Ul Ul Ul Ul Ul Ul 00 OJ OJ Ul Ul Ul Ul UJ oo 00 00 oo 00

M M M M M M M M M M M M M M M M M M M M M M M M o o o o o o o o o o o o o o o o o o

CO to to to to to M M M M M M M M M M M M O O O o O O vo vo vo vo vo VD VD VD VD CO 00 oo oo oo oo 00 00

Ω Ω Ω Ω Ω Ω Pi H ^Pi H H ^pi H H H H H H rn cn rn cn cn cn Ω Ω Ω Ω Ω Ω Ω Ω Ω ES ES ES ES ES ES E X <

P P P P P P Ki Ki Ki Ki Ki Ki Ki Ki Ki Ki IS rs rs rs rs rs P P P P P P P P P rs rs rs rs rs rs rs rs l

G G G G G G 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 G G G G G G G G G Pj ^pj ^pj H ^pj ^pj j P

O Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 2 O Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω Ω 2 o Ω Ω cn Ω Ω Ω 3 Ω

ES CJ Ω 03 EC IS t O S CJ 63 03 t ts CJ 63 CO ro to > 63 ω > t CJ 63 ω M M ro M

to to to CO CO eo CO CO to to eo to to ro to to to M M M M M M M M M M M M M M M M M M M M M M M M M

OJ oo 00 00 Ul eo o M eo CO 00 00 O o to to M vo vo vo 00 ^J 1 -J ^1 ^1 lb oo lb on on Ol 01 vo ~J 00 VO CO o O Ol -J

M on vo o Ul oo oo 01 CO M Ul IO VO vo M o 00 vo -J CO M 00 ~J 00 lb CO CO eo eo 00 Ol vo 00 o VO CO Ol OJ to 1 -J 00

00 on lb CO CO ui M Ul to ^1 o en vo -o o CO on to lb CO 00 lb to VD o ] on ^1 o Ul vo Ol cn vo on CO lb eo vo to J vo

^) o oo M M M M M M M M M M M M M M M M M M M M M M M M M

00 00 vo o M o M o o CO 00 VD 00 VD VD o VD VD -J oo oo ] oo o o M on lb Ul lb oo eo eo CO to cn Ul on lb OJ eo o

VD oo M oo M lb lb 1 Ol oo lb M vo ^1 oo Ol VD vo oo oo o vo VD CO vo CO lb lb M on M Ol -J ^1 00 00 ~J on lb O M CO

00 cn on on ^1 VD lb M ib cn on 00 vo to 00 oo on M lb lb 00 eo o CO vo to eo ui vo cn Ol OJ CO 00 cn o O on VO on Ul 00

00 oo Ul oo Ul oo OJ OO to CO eo oo to to UJ OJ OJ 00 oo OJ 00 oo 00 oo 00 00 00 00 00 00 00 OJ Ul 00 OJ CO CO CO to to CO co

VD 00 1 ^1 Ul lb lb lb Ol 00 00 o 00 VD o M to to 00 OJ o M eo to lb Ul lb lb OJ Ul OJ CO M M o cn CO vo 00 vo 00 vo ] ^1 lb M VD ~J ^1 to vo M vo M on ^1 on O vo -J on o ui 1 CO lb on Ui M eo 00 o on oo lb M 01 vo o to VD to cn to

M o on VD eo 00 00 M CO on OJ o 00 M M CO lb M -o 1 ^ o M lb ] o M co ID VD on vo on lb vo o ] vo OJ o 00 M lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb on Ul on on lb lb lb lb lb on Ul on on ui ui ui to to to M M M 00 t M o o O o o M to 00 00 lb lb Ul on on on ^3 ^1 M eo M o vo 00 CO vo vo M to M o o o M on oo M 00 00 VO 00 ^1 o en CO VO VD ] lb M o cn lb ^ ui CO CO eo to to vo o on cn lb CO vo O -J OJ M on cn OJ cn eo lb ^1 CO eo 00 eo 00 oo CO vo 00 VD VD ] 01 ] lb CO 00 ^J lb 00 ui Ol CO vo ] Ul on ! 1 vo on lb on o o cn on Ul vo

312 GLU OE2 23..64 7..11 38..66 41..73

312 GLU C 24. .81 11. .27 35. .64 41. .62

312 GLU 0 25. .39 10. .33 35. .09 41. .03

313 VAL N 25. .43 12. .38 35. .99 41. .88

313 VAL CA 26. .85 12. .55 35. .72 42. .43

313 VAL CB 27. .09 13. .48 34. .50 42. .52

313 VAL CGI 26. .21 13. .06 33. .34 42, .48

313 VAL CG2 26. .79 14. .93 34. .88 42, .39

313 VAL C 27. .62 13. .13 36. .90 42, .83

313 VAL 0 27. .06 13. .80 37, .76 42, .87

314 GLU N 28. .92 12. .87 36. .92 43, .53

314 GLU CA 29. .79 13. .39 37. .96 44, .48

314 GLU CB 30. .41 12. .25 38. .78 45, .39

314 GLU CG 31. .45 12. .73 39. .79 47, .18

314 GLU CD 32, .10 11, .58 40. .54 48. .06

314 GLU OEl 32, .58 10. .63 39, .88 48. .62

314 GLU OE2 32, .13 11. .64 41, .79 48. .94

314 GLU C 30, .89 14. .23 37, .33 44, .68

314 GLU 0 31, .65 13, .75 36, .49 44, .64

315 ILE N 30, .96 15, .49 37, .74 44, .78

315 ILE CA 31, .97 16, .41 37 .23 44, .96

315 ILE CB 31. .35 17, .47 36, .29 44, .66

315 ILE CG2 32. .46 18, .25 35 .59 44, .58

315 ILE CGI 30. .46 16, .79 35, .24 44. .31

315 ILE CDI 29. .75 17, .73 34, .32 43, .23

315 ILE C 32, .65 17, .12 38 .40 45, .37

315 ILE 0 32, .01 17, .87 39, .15 45, .19

316 ASP N 33, .95 16, .88 38 .55 45, .87

316 ASP CA 34, .74 17, .48 39 .61 46, .49

316 ASP CB 34, .89 18, .99 39 .37 46, .49

316 ASP CG 35, .63 19, .29 38 .07 46, .74

316 ASP ODl 36, .74 18, .75 37 .87 46, .42

316 ASP OD2 35 .11 20, .07 37 .25 46, .56

316 ASP C 34 .19 17, .23 41 .02 46, .80

316 ASP 0 34 .03 18, .16 41 .83 47, .05

317 GLY N 33 .92 15, .96 41 .31 46, .80

317 GLY CA 33 .43 15, .57 42 .62 46 .69

317 GLY C 31 .94 15. .71 42 .87 46 .72

317 GLY 0 31 .43 15. .11 43 .82 46 .96

318 LYS N 31 .23 16 .47 42 .05 46 .42

318 LYS CA 29 .80 16 .64 42 .27 46 .45

318 LYS CB 29 .42 18 .11 42 .18 47 .17 OJ 00 00 oo 00 UJ Ul UJ UJ Ul Ul UJ Ul Ul UJ UJ UJ UJ Ul UJ OJ OJ oo OJ 0J OJ oo oo oo 00 oo oo 00 o UJ UJ Ul Ul UJ Ul to to eo CO eo CO t to to to eo CO to CO CO eo CO CO CO CO CO to to to to to to to to M M M M M M M M M M M M

OJ CO eo eo eo to t to M M M M M M M M M o o o o o o o O O o o o VO VD vo VO VO vo VD 00 00 oo 00 CO

P < < < < < < < Ω Ω Ω Ω Ω Ω Ω Ω Ω H ^pi H <-i H H H H H ^pi ^pi H H <-i H H H ^pi H P P P P P P

> > > > > P P P P P P P P P Ki Ki Ki i Ki Ki Ki Ki Ki Ki EC EC EC EC EC EC EC Ki Ki Kj Ki Ki

CΛ P P P P P P P 3 3 3 3 3 3 3 3 3 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 ω ω cn cn cn

3 Ω Ω Ω Ω Ω Ω 3 Ω Ω 3 Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω O Ω Ω 3 o Ω 3 Ω Ω Ω

63 63 to > IS IS fl 63 03 co > EC ts ts

M to πto ts J 63 ω

M M > 63 63 03

CO M > ts rs J Ω co M

M M M eo to eo to eo M to M M M M M eo eo to eo eo eo t to eo eo eo CO CO to CO CO CO eo eo CO eo CO CO CO eo to eo vo 00 vo eo M M M M vo o 01 on ^1 00 VD o M 00 00 CO ^J Ul lb 1 cn on lb 0J on on Ul ^1 on Ol cn vo co on Ol ^1 CO cn vo lb on M oo cn on on lb M on on 00 on o M M 00 00 on Ul CO M oo O M 01 on lb oo 00 ^1 lb vo eo eo cn o

CO D 00 cn oo CO lb on to VD lb CO oo on oo 00 lb M on M lb lb M cn on Ol oi M CO VD cn eo oo 00 lb lb to

M M M M M M M M M M M M M M M M M CO M CO M M M M M M M M M M M M M M M M M eo M M cn lb Ol on ui on Ol on to lb 00 00 lb lb ui 00 lb o vo o VD 03 ^1 00 ^1 on Ul Ol Ul CO oo 00 lb on on on VO o VO 00

cn on 00 cn o M VD M M OJ M 00 00 00 o lb eo vo vo oo D to 0J on O M vo to lb ui lb on lb oo M M co lb vo cn co Ol oo on lb lb CO o to 1 CO lb VD M M vo on eo M lb to oo M to ui M ui CO lb on lb 00 to 00 J

Ul 00 00 00 oo 00 00 00 00 00 OO 00 00 00 00 Ul 00 oo 00 00 00 oo 00 00 00 00 OJ 00 00 lb lb lb lb lb lb lb lb lb lb lb lb lb Ul 00 00 CO o eo 00 lb on on 1 J Ol 1 cn ^1 1 vo VD vo oo oo oo oo oo vo M o eo to M O M O M CO CO to CO co CO to oo vo to lb Ol 00 ^1 lb to M ^1 on vo ^3 Ul 00 lb o M ^1 on M co ^1 M M OJ o lb 00 ^ Ol eo to on vo lb 01 on o vo ^1 oo M oo OJ cn oo VD VD M 00 on co Ul ^1 CO on ^•^1 ui on on 00 o O lb o o oo CO O o eo to o CO lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb co oo oo ^1 ^1 ^1 ^1 oo ^1 vo VO VD oo on on on to eo to t eo eo 00 lb on lb lb lb lb lb on on on cn cn CO CO 00 CO

Ol CO Ul 00 Ol ^3 vo VD on 00 00 lb lb 01 00 to oo on cn cn vo vo 00 OJ O M 00 Ol VD ^1 CO O 1 oo CO 1 00 on M 00 cn on on lb cn o on ^1 eo 00 lb VD OJ CO on to CO eo OJ Ul ^1 vo vo vo O lb M vo O M o to o

00 00 00 on on CO on lb

o oo oo oo oo oo oo oo oo eo eo eo eo to to to to to to to to to to to eo to eo eo eo to eo eo ι cn on on on on on on oo oo oo

> > > > > > > > > H H H H H H H TJ TJ TJ TJ TJ TJ TJ P P P P P P P to c >n to cn C >Λ in n > cn > 33 •pa 33 33 > >

33 33 33 > •pa > 33 > 33 33 P P P P P P P P 33 33 33 33 33 33 33 Ki Ki K; Ki Ki

3 3 3 3 3 3 3 3 Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ts ts ts ts ES LS ES ts O O O O O O O cn cn cn

O Ω 3 O Ω Ω Ω 3 O Ω 3 3 Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 3 o Ω 3 Ω Ω Ω Ω Ω O Ω ro EC EC IS LS D Ω to Ω to eo α M > ro M > J Ω M M > Ω CO > O ts rs J Ω ω >

on oo on o vo on on on on vo oo on on o o on oo eo cn o on on vo o o o cn oo cn cn o cn oo vo cn on eo on to o to

-~J υo eo eo eo eo ro eo eo to vo oo cn on on on on ι vo vo vo o o o vo co o co oo vo n on vo o vo o en vo oo on cn on cn cn o cn o on eo eo eo eo eo eo to oo oo oo oo eo eo eo oo eo eo oo oo oo oo oo oo cn vo vo oo on to vo vo vo vo vo o ! o on cn vo on on

on on on on on on on ! on cn cn oo ro o o vo oo eo on vo cn o o to -o to ! o oo to on on t to on co on on o on en o vo oo co o o cn vo to

ω cn cn cn > > > > > > > > to to to to to ω cn cn cn cn 3 3 2 3 o o Ω Ω ro > > rs > > ω > α σ >

OJ oo UJ Ul Ul Ul l Ul UJ OJ OJ 00 OJ oo Ul l oo oo Ul Ul oo 00 00 OJ 00 Ul Ul Ul oo oo 00 OJ OJ 00 OJ OJ OJ Ul Ul ui Ul Ul

OJ 00 Ul Ul Ul Ul UJ Ul J J oo oo OJ Ul Ul Ul 00 00 Ul UJ oo oo J 00 00 Ul Ul Ul Ul oo OJ OJ 00 Ul J OJ OJ Ul Ul Ul Ul UJ

CO 00 00 00 ] ^1 ^1 ^1 ] ^1 ^1 ] ^1 ^1 cn Ol Ol Ol Ol Ol Ol cn cn cn Ol Ol on on on on on on on on on lb lb lb lb Ul Ul

H H H H > > > > > > > > > ^pi ^pi ^pi ^{p p}i ^pi ^pi ^pi ^►9 ^pi ^pi Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω H H

P P P P 33 33 33 33 33 >

33 33 33 33 •pa 33 κ| Ki Ki Ki Ki Ki Ki P P P P P P P P P P P P P P P ts LS ES ES Ω Ω Ω Ω Ω Ω Ω Ω Ω cn Ω 33 33 33 33 33 33 33 33 33 33 33 33 3 3 3 3 3 3 3 3 3 Ki Ki K! Ki ts ts

Ω Ω Ω 2 O Ω 3 3 Ω 3 Ω Ω Ω cn 3 O Ω O Ω Ω Ω Ω Ω Ω Ω Ω 3 O Ω 3 O Ω Ω Ω Ω 3 O Ω Ω 3 O Ω Ω 00 EC EC IS ES Ω 03 > EC ts t CJ CS O Ω to eo CO M α ro CO M M > t ts CJ Ω 03 > eo M >

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M Ol Ol on lb OJ 00 ^1 ] 1 vo o M M 00 lb lb lb 1 on lb on lb on lb eo 00 oo M t Ul to ro M 00 to M M o M

CO Ol lb 00 M CO lb M VD M M oo lb o Ol on cn o cn vo o 01 vo M on lb to cn Ol ^3 t to ^ to M o Ol CO Ul to CO o oo Ol o ^1 CO t M t on M M co 01 CO M OJ on o CO lb o on lb lb 00 ^3 on CO to o on on on o M lb

^1 υo J Ul OO to OJ CO 00 00 UJ 00 00 oo 00 oo 00 00 00 00 Ul 00 OJ 00 OJ Ul oo OJ OJ oo oo 00 to oo to to ro to t to to t to to IO M o vo o VD o lb U) 00 to eo CO M M M UJ ro to to t to 00 Ul 00 00 CO o M o VD o vo vo vo vo 00 00 CO o on cn on CO cn cn OJ lb o ^1 on vo lb o cn on 00 on 00 on J on Ol o M o M o O Ol to o J CO 0J OJ lb oo co oo eo o to lb 01 on vo lb M on 00 vo CO M cn co to vo 00 lb CO on VD M ui M 00 M o Ul o cn CO o on CO -0 o 00 eo 1

M M M M M M 1 1 1 1 1 CO M o vo CO 00 M vo o o CO vo ^1 oo 01 σ o M o o M M to eo 00 lb lb lb Ul M o o M to 00 lb on on on o ^1 CO

M lb cn VD vo lb M to M vo to vo o lb o to o o to M Ul OJ cn on eo M vo M Ul o o on lb o cn Ul ^3 Ul M lb to oo M 00 on oo 1 Ol vo cn o o 00 to ^1 lb OJ lb o M M M 00 VD 00 o 00 00 vo M Ul CO vo ro eo ^1 Ul lb O ^1 en lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb OJ 00 oo 00 00 Ul OJ lb lb lb lb lb 00 lb lb lb lb lb lb lb lb lb lb lb OJ ^1 ^1 CO cn on vo oo 00 oo 1 Ol on on 00 to ro 1 ^1 co ^1 oo VD o M o o o vo o o o o o o o o o o o vo lb 00 o o M o eo vo 00 oo lb lb 01 M on o M M CO vo oo cn lb o M M 00 on 00 01 ui lb Ul lb on eo 01 00 o o M 00 VO on CO VD M ~0 M Ul 1 o o on Ol vo to on cn 00 Ul on vo ^1 lb 00 to Ol CO J ui on 00 lb lb lb ^1 CO t M

338 ILE CGI 17..17 29..20 12,.39 47..87

338 ILE CDI 17. .68 27. .94 11, .71 48. .08

338 ILE C 14. .36 29. .07 11, .60 48. .90

338 ILE 0 14. .44 27. .90 11, .97 49. .03

339 HIS N 13, .38 29. .87 12, .01 50. .13

339 HIS CA 12, .32 29. .38 12, .89 51, .37

339 HIS CB 12. .53 29, .89 14 .32 52, .46

339 HIS CG 11. .55 29, .31 15 .31 53, .97

339 HIS CD2 10. .33 28, .74 15 .13 54, .25

339 HIS NDl 11. .80 29, .28 16 .67 54, .56

339 HIS CEl 10. .77 28. .73 17, .28 54. .88

339 HIS NE2 9, .87 28. .39 16, .38 54. .75

339 HIS C 10. .97 29. .84 12, .36 51. .70

339 HIS 0 10. .49 30. .93 12, .68 51. .46

340 ALA N 10, .36 28. .97 11. .56 52. .22

340 ALA CA 9, .08 29. .22 10. .91 52. .52

340 ALA CB 8, .83 28. .14 9, .86 52. .39

340 ALA C 7, .82 29, .40 11. .78 52. .95

340 ALA 0 6, .80 29. .86 11. .27 52. .97

341 GLY N 7, .88 29. .03 13. .05 53. .43

341 GLY CA 6 .71 29. .19 13. .90 53. .90

341 GLY C 6 .40 28, .08 14. .90 54, .39

341 GLY 0 5 .95 28, .35 16. .02 54. .43

342 LYS N 6 .64 26, .83 14. .51 54. .82

342 LYS CA 6 .39 25, .70 15. .40 55, .27

342 LYS CB 6 .04 24, .45 14 .58 55, .54

342 LYS CG 4. .61 24, .44 14 .06 55. .74

342 LYS CD 4 .28 23, .10 13 .45 55. .90

342 LYS CE 2 .78 22, .95 13 .20 56. .10

342 LYS NZ 2 .46 21, .62 12 .60 56. .07

342 LYS C 7 .60 25, .40 16 .29 55. .68

342 LYS 0 8 .74 25, .45 15 .83 55. .60

343 THR N 7 .34 25, .09 17 .55 55. .72

343 THR CA 8 .42 24 .81 18 .49 55. .94

343 THR CB 8 .38 25, .77 19 .69 55. .91

343 THR OGl 7 .46 25 .27 20 .66 55 .68

343 THR CG2 7 .91 27 .15 19 .25 55 .97

343 THR C 8 .37 23 .39 19 .05 56 .21

343 THR 0 7 .30 22 .90 19 .44 56 .19

344 VAL N 9 .53 22 .75 19 .10 56 .14

344 VAL CA 9 .63 21 .40 19 .64 56 .06

344 VAL CB 10 .51 20, .49 18 .75 56, .00 OJ OJ 00 00 00 oo o 00 00 00 00 00 Ul Ul Ul UJ Ul Ul Ul Ul Ul Ul UJ Ul Ul Ul Ul Ul Ul Ul Ul Ul 00 00 oo oo 00 00 00 OJ OJ 00 on on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

O O o VD VD vo CO 00 00 oo oo oo oo oo oo -J ] ^1 ^J ^1 1 -O ^3 01 on Ol 01 Ol Ol Ol Ol on on on on on on on lb lb lb lb

Ω Ω Ω Ω Ω Ω P P P P P P P P P H 'H H H H H H H H H H H H H H H TJ TJ TJ TJ TJ TJ TJ < < < < P P P P P P >< Ki Kj Ki Ki Ki P P P P P P P P P P P P P P P P 33 33 33 33 33 33 33 > >

Ki Ki < Ki Ki in cn CO CO in cn cn cn cn ES LS ts LS ES S ts t t ts ts ts ES ES ts ES O O O O O O O P P P P

Ω 2 O Cl Ω 2 O Ω 2 Ω Ω Ω Ω 2 O Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω

> > t CS O Ω ω Ω 2 O Ω 2 O Ω

> D Ω Ω 03 > CJ Ω Ω 03 Ω CO > CJ Ω Ω

M M to M M to CO M

M M M M M M M M M M M M M M M M M lb lb J oo lb lb on on Ol ^1 cn ^1 Ol ^1 CO CO VD vo vo to o o M oo to Ul lb lb lb CO M M o ^1 00 VD oo VD M o vo o to oo lb vo M VD oo eo CO o to o lb on o 00 00 to Ul M M 00 ^1 to on M cn ^1 o vo co ^1 vo o lb lb CO vo Ol

O to vo on to Ol o on Ol to lb on M Ul cn o 00 lb CO M on O VD on CO vo oo lb 00 M ui M 00 Ol lb Ul o OJ

-. J Ol ro to to to to M eo M M M M M M M M M M CO to CO M M M M M co to CO M M to M to to eo eo to CO eo eo CO M

M O to M o VD o vo 00 lb Ol ^1 O CO oo 00 eo M o vo 00 VD 00 oo M M o VO VO vo o o M M o M M M o vo lb cn to M M o o o 01 on o O o vo cn eo M 00 vo 00 to lb vo oo to o VD lb lb CO to OJ CO 0J 00 to 00 Ul oo M

00 to on M vo oo o 00 lb to cn 00 O on lb o M eo 00 00 on lb vo o ^3 VD on oo oo 00 00 lb on lb VD Ol M o 00 M to to to to eo to OJ CO 00 00 00 OJ J to to to eo 00 to to to to to to to to to eo to co CO to CO CO CO IO eo CO eo eo M M on ^1 CO CO vo VD o vo 00 to CO M O VO VD 03 o vo vo vo oo ^1 01 ui on OJ on on lb 00 00 00 lb oo CO CO M M VD

CO o oo CO lb eo o ui to 00 ^1 ^J UJ ro to to to eo M cn on lb M lb ^J vo vo ^ eo 00 oo o oo lb 0J lb o o M o oo OJ on on oo lb lb M vo O to vo CO OO lb 00 vo M O on 01 to M oo to on 00 03 cn on to M oo vo o VD o Ol vo vo ^1 lb Ol cn Ol cn en Ol o cn Ol O Ol on Ol cn on on on on on on on Ul on on on on Ul on on on on on on on on on on ui ui ui ui on on to to M M M o o o M M o O O vo vo CO 00 00 00 oo 00 ^3 cn cn on Ol ui on on on Ol Ol Ol ui on 01 Ol cn M vo co oo M 00 o o ^1 00 M vo to oo ui OJ o o VD M cn o to 00 vo lb ^1 vo lb M VD vo o o o vo o M eo

00 to o on O 00 00 00 M 00 CO cn VO cn M lb 00 to 00 oo o on vo on ^1 cn OJ vo o eo o to Ol on 00 o M 00 Ul OJ o

350 GLY C 2..82 21..37 25..21 63..12

350 GLY 0 1. .86 20. .89 25. .82 63. .10

351 GLU N 2. .72 21. .87 23. .98 63. .56

351 GLU CA 1. .46 21. .87 23. .26 63. .94

351 GLU CB 1. .35 23. .14 22. .40 64. .15

351 GLU CG 1. .37 24. .41 23, .25 64. .78

351 GLU CD 1. .25 25. .69 22, .43 65, .20

351 GLU OEl 2. .08 25. .91 21, .53 65, .26

351 GLU OE2 0. .31 26. .48 22, .71 65, .31

351 GLU C 1. .31 20. .62 22, .40 63, .85

351 GLU 0 2. .31 20. .08 21. .90 63. .72

352 ALA N 0. .07 20. .16 22. .23 63. .73

352 ALA CA 0. .22 18. .95 21. .46 63. .68

352 ALA CB 1. .56 18. .37 21. .92 63, .66

352 ALA C 0. .23 19. .13 19, .95 63, .66

352 ALA 0 0. .56 18. .20 19, .21 63, .66

353 THR N 0. .14 20. .32 19, .48 63, .53

353 THR CA 0, .18 20. .56 18, .04 63, .41

353 THR CB 0, .89 21. .88 17, .70 63, .38

353 THR OGl 0. .21 22. .96 18, .36 63, .42

353 THR CG2 0. .87 22. .13 16, .19 63 .27

353 THR C 0. .97 19, .42 17, .39 63 .32

353 THR 0 1, .97 18, .94 17, .93 63 .33

354 ARG N 0. .50 18, .98 16 .22 63 .06

354 ARG CA 1. .17 17, .90 15 .51 62 .90

354 ARG CB 0 .13 16. .92 14 .95 62 .93

354 ARG CG 0 .52 16, .07 16 .02 63 .27

354 ARG CD 1 .69 15, .25 15 .50 63 .18

354 ARG NE 2 .19 14, .33 16 .52 63 .43

354 ARG CZ 2 .67 14 .70 17 .71 63 .76

354 ARG NHl 2 .73 15 .98 18 .05 63 .69

354 ARG NH2 3 .09 13 .78 18 .56 63 .89

354 ARG C 2 .04 18 .41 14 .38 62 .57

354 ARG 0 1 .83 19 .51 13 .87 62 .53

355 MET N 3 .03 17 .62 14 .00 62 .30

355 MET CA 3 .95 17 .97 12 .92 62 .12

355 MET CB 5 .28 17 .22 13 .08 62 .18

355 MET CG 5 .94 17 .37 14 .45 62 .23

355 MET SD 7 .45 16 .37 14 .63 62 .55

355 MET CE 8 .74 17 .61 14 .50 62 .34

355 MET C 3 .31 17 .59 11 .59 61 .76

355 MET 0 3 .18 16 .41 11 .28 61 .88 oo 00 oo 00 oo 00 00 oo 00 00 OJ OJ oo oo oo on Ol Ol Ol on cn on on on on Ul on on on on

M M M M o o

cn on 01 Ol Ol Ol Ol Ol 01

Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω' Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P P P P P P P P P P P P P P P P P

G G a K; Ki Ki G G G G G G G G G G G G G G G G G G

Ω Ω Ω 3 Ω Ω Ω Ω Ω 3 O cn O O Ω Ω Ω Ω 3 Ω Ω 3 O Ω O O Ω Ω Ω Ω 3 O Ω O O Ω Ω Ω Ω 3 Ω 03 > o Ω Ω 03 t IS O Ω to o

> > ES ES CJ Ω 03 to M > to M t M > IS ts O Ω 03 to M >

M M M M M M M M M M 1

O M to to M M M OJ eo M vo vo vo lb Ul Ul on cn o cn ] ^1 on Ul oo lb IO Ul 00 OJ to oo ro lb OJ o o o o M to to

00 O on OO O on vo cn eo 00 co lb o ^1 o O on vo on CO vo M CO ui 1 00 cn ^J ro on -J Ol -J lb t to lb M to Ol to CO

M ^J vo M 00 on M ^1 o O CO oo on M ^ CO cn on vo o eo o vo Ul lb M lb on vo o ~J to o vo co M Ol ui M M ~J vo

-J. J

_^) to M ro to to to eo CO to CO eo M M CO CO to eo to to M M M M M M M M M M M M M M M M to to to M M M M o VD o o to M M M M O o CO vo to o M M O o VO vo vo co ι 00 -J ui cn on lb on 01 ^3 ] -J o to M vo vo CO 00 o O on to M O M eo lb 01 vo CO o on Ol Ul M on 00 lb vo to eo 00 cn Ol o 00 Ol vo Ol on M ~J ] CO M o co on OJ Ul lb ^3 ^1 01 to O M on VD -J oo oo CO vo M CO CO on vo M ] ^1 CO M n M ^3 to Ol Ol lb VD VD 00 CO lb on to OJ 01 o 00

M M M M M M M M M M t to M o VD vo on ^1 ^J o ^1 ^1 o o O VO 00 CO ^3 Ol lb lb lb on Ul Ul eo CO 00 lb Ul σi ^1 00 00 M o o vo co vo o lb OJ lb O 00 OJ ui OJ O vo ^1 o eo M _^! CO lb lb o OO 00 vo CO M M ui M oo o OJ Ul OJ lb ^3 ui cn o lb ui vo ui 00

VO vo o VO OJ 00 O OJ O lb O OJ ^1 OJ lb oo ^1 ^1 vo o vo VD Ul M ^1 o Ul vo lb ] to co M lb to ui M 01 OJ 01 to M lb lb lb lb lb lb lb lb lb lb on on on Ul Ul Ul on on Ul on on on ui on Ul Ul cn cn Ol Ol Ol on Ol cn on Ol σi 01 cn Ol O cn

VO CO ] 00 VO vo VD vo VO vo M eo to 00 CO OJ eo to eo lb on on cn ^J 00 00 eo to M M O VD O O o M M M M M M M

M lb oo on CO OJ 00 0J CO vo CO J CO ui Ul to 00 CO vo M to CO M OJ M lb oo to ι O to lb M VD o lb vo Ol Ol OJ o lb o o o o oo cn on on O vo on cn co to M O lb 00 Ul o o ui cn CO -o lb Ul lb lb O O OJ Ol on lb 00 vo co cn Ol vo M

OJ 00 00 Ul OJ oo oo oo 00 00 oo oo oo oo oo 00 00 00 00 UJ Ul oo Ul Ul Ul 00 Ul UJ oo 00 00 oo 00 UJ Ul Ui Ul J OJ Ul U) OJ on Ol Ol Ol Ol cn oi oi Ol Ol Ol Ol Ol cn cn cn n Ol Ol Ol cn cn 01 O on Ol Ol Ol Ol cn cn cn 01 Ol Ol Ol Ol Ol 01 Ol 01 01

Ol 01 Ol Ol on on on on on on on on lb lb lb lb lb lb lb lb 00 Ul Ul Ul Ul UJ 00 oo to to CO CO CO M M M M M M M M

TJ TJ TJ TJ TJ β ^pi ^{p p}i ^pi i i Ω Ω Ω Ω Ω Ω Ω Ω Ω H H H H H H H H > > > P3 P1 P1 1 1 3 P3 P3 EC EC EC EC EC EC EC EC EC EC EC EC P P P P P P P P P P P P P P P P P P P P P ^Pl Kj Ki Ki Ki Ki Ki Ki K; ES ES ES ES ES 33 33 33 33 33 33 33 G G G G a G G G G ES ES ES ES ES ES tS ES 33 33 33 33 33 33 33 33

Ω Ω Ω Ω 3 O Ω Ω O Ω Ω 3 O Ω O O a Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω 3 0 Ω O Ω Ω O Ω Ω CJ Ω 03 O ES ES CJ Ω 03 Ω Ω 00 > 00 > EC ts ES CJ tS CJ

M > Ω Ω J to M > to M M M to CO CO M M

M eo CO to M eo M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M VO o o o vo o VD Ol VO CO 00 oo σ CO CO 1 00 CO oi oo O t lb on Ul on Ul lb on on on lb lb lb Ol -J CO vo oo vo

M OJ OJ lb OJ 01 on VO CO o Ul on lb on ^1 vo M on on o 00 o VD VO M 00 lb ^1 vo ^1 lb M 01 U) CO O CO 01 lb 00 O lb lb CO lb M 00 CO on lb ^1 ^1 Ul oo CO o VO on to M on M 01 VO to to 01 to M M O Ol M 00 ^1 o en M CO

^1 J 00 CO eo eo to eo M M M M M M M M M to to to to to to M M M M M M M M M to CO co eo CO M CO eo to CO eo to M OJ OJ eo o o vo vo 1 VD vo VD VD lb lb 00 ro M o VO 00 00 J 1 cn CO vo M o eo M M VD O M o M O o VD

00 to on vo lb vo vo OO CO VO lb ui VD 00 Ol 00 vo on lb o ^3 lb vo cn o on to ^ lb to 01 ^1 OJ Ul 01 lb o 01 O 01 o o o CO 00 to on l M VO on on on M t to lb to o lb on M 01 on Ul 01 Ul 01 oo M o VO CO o vo O 00 on lb

CO to to to CO to to CO CO CO CO to CO eo M M M M M M M M M M M M M M M M M M M M M M M M M M M M OJ lb on Ul lb t 00 CO OJ Ul to M o o VO 00 CO CO vo 00 Ol ^1 on on en on Ul on lb OJ 00 CO M M to CO 00 OJ M M on OJ on lb cn vo lb OJ o M -J OJ lb oi lb on CO 1 o M o VD to OJ o to o on CO 01 lb 00 00 VO CO ^1 01 on lb

^1 M M cn on 00 on CO oo OJ o o on on -J oo to Ol o lb lb 00 to lb vo on M cn co lb ^1 00 ^1 o 00 O lb CO Ol on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Φ. lb lb lb lb lb lb on Ul lb lb lb lb o M M to CO to CO 00 00 Ul 0J OJ lb lb Ol Ol 01 on lb lb OO 00 00 00 OJ Ui 00 00 lb lb lb on on cn 01 M o VO vo VD vo t cn to 00 oo vo M 00 Ul M on lb OJ 01 Ol M VD VD lb 00 VD o ^1 Ul on 1 M to lb oo CO ^1 o oo o VD to 01 M eo vo oo M 00 CO on CO VO oo 01 ui lb M M VO lb 00 to 01 M lb M vo o Ul 1 CO o lb to M M eo VO vo ^1 lb

OJ oo ] cn

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cn

Ω Ω Ω Ω P P P P P P P P P Ω i ^pi cn cn cn in cn cn Ω Ω Ω Ω TJ TJ TJ TJ TJ TJ P P P P Ki Ki Ki Ki Ki Ki Ω Ω Ω β i P

P P P P EC EC EC EC EC EC EC ES ES S ES ES ES P P P P EC EC EC EC EC EC

P P Ki Ki Ki cn cn CΛ cn O CO in cn cn Ki Ki Ki 33 33 3J 33 33 33 33 33 33 33 33 33 33 Ki Ki Ki <-i LS ts ES t ts ES

M M M M M M M M M M M M M M to co co to to to to eo to eo to eo to CO eo eo ro to ro ro to ro M to CO CO M to cn ^1 cn ^1 ^1 CO on ui on CO co oo o o o to ro 00 0J on 01 Ul 00 00 M eo CO M to M ro ro M M VO o o -r o M lb o O ^1 on ^1 VD 00 vo M lb lb oo to 00 CO 00 CO vo on vo eo lb vo -o oo 01 lb co lb ^1 vo M oo oo M to to lb M lb vo lb o O CO lb oo 00 lb VO cn on o OJ o 1 Ol o 00 on 00 oo o 00 lb CO o vo VO VD M 01 vo on Ol lb M cn

^1 o

VO to t to to to co eo co CO CO CO ro ro ro ro eo to to to to co M to CO eo CO eo eo eo eo to to to to M M to to CO CO to ro

^1 Ol lb on lb lb lb lb vo cn on on 00 lb lb OJ ro to VD M o o M o o OO CO M o M O VO vo o o lb lb lb OO on oo CO M O on on oo M cn o lb vo lb OJ o M M o M o on co as vo to o on cn to 00 O oo oo vo M oo ^1 Ol M vo to Ol J to O on lb lb lb cn o to to lb o vo lb Ol o 01 CO M M eo o on M VD CO lb 00 on oo on lb oo CO 00 to to

00 oo OJ OJ J OJ Ul o 00 00 00 Ul 00 OJ 00 UJ Ul 00 J OJ oo oo 00 00 00 00 OJ 00 oo OJ 00 00 to to to to to to co CO to to t to to to OJ lb on Ul 00 CO VD CO 01 cn cn cn cn 01 on on lb Ul on on 00 00 00 to M M o vo vo oo ^J Ol M to to 00 oo vo o 1 OJ lb CO on ^1 lb o Ul 00 lb vo Ol OJ Ul OJ M Ul eo on 00 vo eo CO 00 VD M Ol ^J lb OJ CO vo cn oo oo ro 00 lb to vo vo M oo o lb lb M 00 OJ vo o o lb vo lb VO cn M o M on Ol lb CO to oo Ol lb on 00 o to on vo vo cn lb lb lb lb lb lb lb lb on on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb cn oi Ol Ol cn -o ^3 o o vo 00 ι 01 cn O Ul Ul Ul Ul on lb lb lb CO OJ OO OJ o J to to to to M o o o o M 01 on Ol O lb Ui eo eo vo VO cn on Ol oo vo lb M vo vo 00 00 on VD M 00 on lb OJ oo M on to M 00 o vo cn CO Ol o ^1 lb M 00 M oo M 00 on lb lb o oo OJ to lb 00 CO cn cn on t lb Ol eo 0J M 1 to 00 on 01 o lb lb to

373 VAL CB 15..80 28..21 33..30 46..29

373 VAL CGI 15. .00 29. .28 32. .56 45. .84

373 VAL CG2 14. .85 27. .18 33. .91 46. .39

373 VAL C 17. .84 28. .54 31. .90 45. .82

373 VAL 0 18. .84 28. .75 32. .60 45. .67

374 VAL N 17. .63 29, .17 30, .75 45. .47

374 VAL CA 18. .58 30, .17 30, .25 45, .34

374 VAL CB 19. .02 29, .86 28, .80 45. .09

374 VAL CGI 19. .94 28, .64 28, .77 44. .10

374 VAL CG2 17. .80 29. .62 27. .93 44, .22

374 VAL C 18. .01 31. .57 30. .29 45. .59

374 VAL 0 16. .81 ^' 31. .77 30. .08 45. .41

375 HIS N 18. .88 32. .54 30. .55 45. .94

375 HIS CA 18. .50 33. .95 30. .59 46. .16

375 HIS CB 18. .69 34, .52 31. .99 46. .30

375 HIS CG 20, .07 34. .33 32, .55 46. .47

375 HIS CD2 21, .17 35. .12 32, .49 46. .72

375 HIS NDl 20. .44 33, .19 33, .23 46, .64

375 HIS CEl 21. .71 33, .29 33, .57 46, .38

375 HIS NE2 22. .18 34, .44 33, .13 46, .48

375 HIS C 19. .39 34. .71 29, .61 46. .43

375 HIS 0 20. .47 34. .23 29, .25 46. .13

376 ASP N 18, .95 35. .88 29, .18 46. .54

376 ASP CA 19. .75 36. .69 28, .27 46. .85

376 ASP CB 18. .96 37, .92 27, .83 47, .47

376 ASP CG 17. .71 37, .56 27, .05 48, .09

376 ASP ODl 17. .05 36, .56 27, .40 48, .97

376 ASP OD2 17. .38 38, .30 26, .09 48, .17

376 ASP C 20. .98 37, .11 29 .05 46. .82

376 ASP 0 20 .87 37, .44 30 .23 47, .23

377 ASP N 22. .15 37, .10 28, .43 46. .61

377 ASP CA 23, .35 37. .49 29, .16 46. .62

377 ASP CB 23, .72 36, .41 30, .17 46. .95

377 ASP CG 24, .41 36, .96 31, .40 47, .47

377 ASP ODl 23, .88 37, .93 31, .98 47, .78

377 ASP OD2 25, .47 36, .43 31 .79 47, .69

377 ASP C 24, .55 37, .80 28 .28 46, .27

377 ASP 0 24 .70 37, .22 27 .20 46, .29

378 MET N 25 .40 38 .69 28 .75 46, .05

378 MET CA 26 .60 39 .11 28 .03 45, .60

378 MET CB 27 .36 37 .89 27 .48 45, .77

378 MET CG 27, .55 36, .77 28, .50 46, .29 00 Ul Ul Ul Ul Ul OJ 00 OJ OJ OJ OJ OJ J 00 00 00 oo OJ OJ 00 00 J OJ 00 Ul Ul Ul UJ UJ UJ Ul Ul Ui Ul Ul J UJ Ul ui Ul Ul

CO CO CO 00 00 oo 00 00 oo 00 00 00 00 00 00 00 00 00 00 00 CO CO 00 00 00 00 00 00 00 ^3 ^J 1 ^1 o ] ι ^1 ^1 ^j ^1 ^1 ^1 oo Ul oo l Ul Ul oo to to to CO CO to CO eo CO to M M M M M M o o o o o o vo vo vo vo vo vo vo vo vo CO CO CO 00 ^pi ^pi P3 Pi ^pi β ^pi EC EC EC EC EC EC EC EC EC EC 10 CO cn cn CO cn Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω ES g S S

Ki Ki Ki Ki Ki Ki H H H H H H H H H H ES ES ts ts t ts Ki Ki κ| Ki κ| Ki P P P P P P P P P tS LS LS ES

33 33 33 33 33 33 33 cn cn cn cn cn cn cn cn cn cn 33 33 33 33 33 33 cn en cn cn cn CΛ a G G G G G G G G ^pl l β Pl

Ω Ω Ω Ω Ω Ω 3 O Ω 3 Ω 3 Ω Ω Ω Ω 3 O Ω o Ω Ω 3 O Ω n Ω Ω O O Ω Ω Ω Ω 3 O Ω Ω ω CJ ts O Ω 03 ts ts CJ O Ω 03 > Ω 03 to M M > t M M CO > Ω w 3 o Ω

> ts LS CJ Ω 03 eo > ts o

co to to to to eo CO to eo CO CO CO to to to to to ro to to to to eo eo CO CO CO to to to to 00 CO eo CO to to t to IO to t

M lb OJ M M o M M to on on Ul 00 00 ro 00 lb on on ^1 ^1 Ol on Ol on CO 00 lb on Ol on o vo VD oo oo 01 ^J Ul cn 00 00

Ul O OJ VO M _^) vo ^1 eo M 00 eo vo VD VD lb oo cn lb o lb CO on on -J lb on oo on lb to 00 ^1 ui CO oo vo M o to M CO

CO OJ CO Ol vo cn o OJ ι 00 oo o 00 Ol lb on -J vo CO Ul CO VO eo 00 o ro 00 lb oo on VO CO CO J M o on VD to o o Ul

~J

-pi

1—- lb lb lb lb lb oo OJ OJ 00 00 OJ oo 00 00 OJ oo 00 00 oo OJ oo 00 00 lb lb lb lb lb lb oo lb lb lb lb lb lb lb lb lb lb OJ Ul

CO CO M to M vo vo vo 00 00 lb on lb on cn ~J CO vo vo o CO VD vo M o O M o M vo o oo lb Ul CO M M o o o lb on vo lb co o OO vo o OJ 00 Ol lb on to lb on 00 lb lb M lb -O on ι O 1 ] on ^1 00 lb Ol to o -J VD vo oo lb oo o oo cn lb lb to Ol on CO cn lb 00 o M M 00 0J to CO lb M Ol vo lb CO 00 Ol 00 O to ] o lb lb CO lb to 00 lb 01 ^1 oo 0J 0J o

M M M M M M M M M M M M M M M M M M M M M M M to CO CO ro to to CO t to to eo ro t to to t to ro to on ] on on lb on on ^1 cn Ol ] 1 01 ] ^1 cn ] 01 O vo oo oo VD o o o M M OJ OJ co ro lb Ui OJ lb lb on cn cn cn CO

Ol O vo ^1 ^1 o oo on cn oo on ] on M to CO 1 to lb to ^J ui ^1 lb cn lb cn 00 o cn 00 on o Ul lb on vo M Ol co on o cn O ^1 VD O oo on vo M o on VD ι VD ] o CO on to oo lb ui VO lb lb lb to vo J oo lb to lb Ul 1 on vo M J ^1 vo o i OJ 00 OJ OJ oo 00 00 OO OJ OJ oo 00 Ul OJ 00 00 00 0J oo 00 00 O 00 oo lb 00 Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb

M M M M CO CO to eo CO 0J t eo to to t 00 lb lb lb lb lb on cn ^] ^j O vo vo o M M Ul on on lb lb 00 lb Ul on cn _^) on to on vo ro vo 00 on 1 on on Ol 00 CO cn M o lb ^1 lb 00 on -J ^1 vo M Ol Ul cn oo 00 M o lb vo o to oo Ul to lb to on J ro ^1 CO eo M CO on o ^1 o 01 co to ^J 00 VD Ul ] on 00 on CO o CO OJ lb M to lb co M CO vo cn on o OJ ^ on 03

383 TYR CE2 22.01 43..56 17.70 31.67

383 TYR CZ 23 .37 43. .30 17 .85 31. .82

383 TYR OH 24. .07 43, .94 18 .86 32. .94

383 TYR C 20 .11 39, .31 13 .79 33 .66

383 TYR O 20. .77 38, .59 13 .04 32. .94

384 MET N 18. .82 39, .59 13 .60 34. .22

384 MET CA 18 .11 39, .08 12 .43 35 .40

384 MET CB 17. .77 37, .61 12 .62 35. .28

384 MET CG 17. .11 36, .96 11 .41 35. .15

384 MET SD 16 .82 35, .20 11 .62 35 .28

384 MET CE 15. .90 35. .15 13, .11 35. .01

384 MET C 16. .83 39. .90 12, .20 36. .73

384 MET 0 16. .10 40. .20 13. .12 36. .65

385 LYS N 16. .60 40. .25 10, .94 37. .96

385 LYS CA 15. .44 41. .04 10. .56 39. .63

385 LYS CB 15, .50 41. .30 9, .05 39. .46

385 LYS CG 14, .63 42. .42 8. .54 39. .62

385 LYS CD 14, .82 42. .61 7. .05 39. .23

385 LYS CE 13 , .94 43. .73 6. .54 39. .13

385 LYS NZ 13. .96 43. .82 5. .05 39. .16

385 LYS C 14, .12 40. .32 10. .92 40. .47

385 LYS 0 13 , .99 39, .13 10. .66 40. .53

386 ASN N 13, .17 41. .03 11. .53 42, .09

386 ASN CA 11, .89 40. .39 11. .86 43, .36

386 ASN CB 10, .92 41. .37 12. .52 43, .71

386 ASN CG 9. .64 40. .69 13. .02 44. .31

386 ASN ODl 8, .90 40. .07 12. .25 44. .18

386 ASN ND2 9, .39 40. .78 14. .32 44, .20

386 ASN C 11, .32 39. .93 10. .53 44, .02

386 ASN 0 11, .22 40. .71 9. .60 44, .27

387 PHE N 10, .95 38. .66 10. .44 45, .37

387 PHE CA 10. .42 38. .12 9, .20 46, .96

387 PHE CB 10. .28 36, .60 9. .29 46, .94

387 PHE CG 10, .12 35. .93 7. .96 47, .06

387 PHE CDI 11, .23 35, .63 7. .19 46, .81

387 PHE CD2 8, .85 35. .61 7 .47 47, .11

387 PHE CEl 11, .09 35, .02 5 .94 46, .98

387 PHE CE2 8, .69 35. .00 6 .23 46, .99

387 PHE CZ 9, .81 34. .71 5 .46 47, .25

387 PHE C 9, .07 38. .71 8 .76 47, .95

387 PHE 0 8, .74 38. .67 7 .58 47, .96

388 ASP N 8. .30 39. .25 9. .71 49. .14 oo oo Ul Ul Ul Ul Ul UJ l Ul Ul Ul UJ Ul l l Ul Ul Ul Ul Ul Ul Ul Ul Ul UJ Ul Ul Ul Ul Ul Ul Ul Ul vo vo o VD VD VD o vo vo vo VD VD VD VO VD VD VD VD VO vo VD VD VO vo vo oo 00 oo oo oo oo oo oo oo oo oo oo oo oo oo oo 00 Ul Ul to ro to to to to to M M M M M M M O o o o vo vo vo vo vo vo VD 00 00 00 00 00 00 00

TJ TJ TJ TJ TJ TJ < < < < < < < EC EC EC EC EC EC EC ffi EC EC Ω Ω Ω Ω < < < < < < < > > > 33 33 33 33 33 33 > > > > > > H H H H H H H H H H P P P P > > > | ' cn cn cn cn cn cn cn O O O O O O p p p p p p p cn cn cn cn cn cn cn cn cn io Ki Ki Ki Ki P P P P P P P TJ TJ TJ TJ TJ TJ TJ

O Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω 3 O Ω 3 Ω 3 Ω Ω Ω Ω 3 Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 O Ω Ω O Ω Ω Ω Ω 03 > O 6J Ω 03 to M > tros Mrs t ti 63 03 63 to

M to > > 63 63 to to M > ti t to M >

M M M M M M M M M M M M M M M CO O M 00 O to o vo o o vo o -^1 vo o M M vo vo VO VO CO VD 00 ] ^1 vo 00 co 00 00 ^1 1 on on Ul on Ul on Ol to co vo O M oo to o 00 oo O to vo o 00 o Ol Ol 00 lb vo CO 00 lb Ul Ul Ul oo eo t VD VD VD vo oo cn σi VD vo

00 ^ ui VO. M Ul 1 Ol on o CO OJ eo CO -o oo o CO M vo lb M lb o lb 00 lb oi ui o VD lb ^3 cn Ol ^1 o OJ on 00

-~4 J on ui ui on on Ul on on on lb on on on lb lb lb on on lb on lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb 0J J J OJ 0J on lb lb lb lb OJ to M M vo M o o vo vo CO M o vo o VO ^1 cn Ul Ul lb lb 00 00 00 on lb 00 CO M M ^1 1 VD vo o cn o vo O M vo Ol en lb on lb M oo M lb M 00 M 00 on lb VD ^J lb CO CO on M lb o t M CO 00 0J on vo o 00 cn to M oo oo vo o ^1 on 01 o CO 00 vo 00 oo Ul VO 01 VD CO lb eo o 00 lb on o VD oo vo vo eo M oo

M M M M M en Ul OJ 00 lb lb on ui on ^3 CO -j on on lb lb M M M M M CO 00 lb 01 Ul Ul ^3 1 -J M vo o vo vo CO vo M vo o o vo on lb CO on cn o OJ 00 M OJ 00 o cn lb on on VO 00 M O CO Ul O M on on o M OJ vo M lb eo OJ OJ 0J o 00 VO vo ro vo o lb vo en CO vo o lb M VO M o vo lb 00 VD O lb o vo 00 OJ to to oo M M lb VD on ui on on Ul on on on on on on on on on on on on Ul on on Ul on on Ul Ul Ul Ul on on on on on Ul Ul on Ul on on on on Ul on to to oo 00 to oo 00 oo 00 OJ OJ oo lb lb lb Ol Ul on on Ul on on Ul Ul lb lb 00 00 00 to eo eo CO to M M M M M o o

OJ to O o 00 M to vo cn 01 on CO vo lb CO vo lb vo vo vo 00 lb o o O o lb oo CO VD o ^1 M lb on o eo 01 OJ co M cn to lb cn vo M M eo eo o on o O on on 00 -3 lb 01 lb vo eo ^1 01 O M eo lb ^1 OJ ^1 OJ Ol vo M o VD

OJ OJ OJ 00 00 Ul Ul UJ oo 00 Ul Ul Ul Ul Ul Ul Ul Ul OO Ul Ul Ul Ul l 00 oo Ul 00 00 00 oo 00 oo oo oo OJ OJ OJ OJ OJ OJ OJ vo vo vo vo vo vo vo VD VD vo vo vo vo vo vo vo VD vo vo VO VD VD VD VD vo vo vo vo vo VD VD vo vo vo o vo vo VD VO VD o VD

CO CO CO 00 00 03 CO 00 1 ^1 ι -J ^1 1 -j Ol Ol Ol Ol Ol Ol on Ol on on on on Ul on on on on on on lb lb lb lb lb lb lb lb

> > > > > > > > TJ TJ TJ TJ TJ TJ TJ P P P P P P P P > > > > > > > > > H H M H H H H H 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 ES ES ts ES ES ts ES ES 33 33 33 33 33 •pa 33 33 33 33 33 P P P P P P P P Ω Ω Ω Ω Ω Ω Ω Ω O O O O O O O G G G G G G G G Ω Ω Ω Ω Ω cn Ω Ω Ω Ω Ω ES ES ES ES ES IS LS ts

3 Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 EC ts ES CJ Ω 03 > Ω 00 > σ 3 O Ω Ω Ω Ω Ω Ω 3 O Ω 3 3 CJ D Ω 03 EC ts ES C3 Ω 03 3 Ω Ω 03 M to M > EC to M > C

M M to

CO to ro to to to to to to ro to ro ro to CO M M M M M M M M M M M M M M M M M M M M M M M M M M M lb on cn on Ul Ul OJ to to ro M ro M o o vo VD -0 Ol cn ^1 CO O ^3 cn o o M eo 00 Ul lb Ul lb Ul lb 00 lb on on lb OO eo on oo vo vo ro on o o lb oo OO oo M to to OJ 01 00 vo M CO on lb M eo -3 cn lb oo ^3 on lb VD o o M on 01 00 oo o lb VD on 1 o o O M on M 00 Ul oo Ul cn vo lb M -O 00 lb M 1 lb to o lb 00 vo CO CO o 1 CO UJ co

^1 on on on on Ul ui on on on on cn on on cn on ui on on on on Ul on on Ul Ul cn Ol on Ol cn cn Ol ui on on Ul on on on on on on vo vo CO ^1 01 on ^1 cn o vo 00 o 00 01 00 o 00 CO CO CO vo vo to O M CO to o o CO on cn OJ OJ on lb on lb

OJ on on to to M CO o M o on lb to oo 00 o M oo M on M 00 VD VO lb o Ul to vo lb cn on to M lb lb 00 on 00 vo oo o O 00 00 to 00 oo o lb 00 on 00 00 on 00 O lb cn on 00 CO on to oo to on oo on M lb oo on on on oo

M M M M M M M M M M M M VD vo 00 CO on -J as cn cn -J ^1 _^) ^1 M CO o o CO l cn Ol to lb OJ OJ on lb cn on on lb ui CO ] 00 -J cn n

00 1 lb M 00 vo ^1 CO CO o CO o cn lb 00 VD lb M vo o ^1 vo M ^1 ^1 lb ^3 vo o vo M vo on CO oo vo ^1 o o Ul on lb lb o o vo o lb Ol lb M oo lb on M lb lb lb 00 vo 00 o o Ul o M VO Ul CO j Ul ui vo to 00 o to o 00 00 M lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul on on on Ul Ul Ul lb lb on on lb on on Ul on on

OO cn lb 00 M o M M to 00 OO OJ 00 lb on on O cn cn cn on 00 CO lb lb lb OJ to M o VD vo o o vo o o o o M

00 oo 00 on to oo M o co O cn o t vo M to CO O cn to to M to oo oo M M lb 1 Ul to to vo 01 lb o M to lb on on lb t t O vo lb lb o ^1 1 00 to o 00 oo ui lb ui 01 o to to CO CO oo oo to 1 to lb ui vo vo OJ M OJ co o

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Φ- lb lb lb lb lb lb lb lb lb Ul Ul Ul Ul Ul UJ Ul oo 00 OJ

O O O O O O o o o o O O O o o o O o o O o o o O O O O o O O O O vo VD vo vo vo vo vo vo vo vo

00 00 Ul Ul Ul to to to IO to to to to M M M M M M M M M M O O O o o O O O O vo VD vo vo vo vo VD 00 00 00

P P P P P P P P P P P P P EC EC EC EC EC EC EC EC EC EC P P P P P P P P P H H H ^►9 H H ^pi κ| Ki > > >

IS IS rs rs rs rs rs rs rs ts IS rs rs H H PH H H H H H H H Ki Ki Ki Ki Ki Ki κl EC EC EC EC EC EC EC 33 33 33

G G G G G G G G G G G G G CO to cn cn cn CΛ in cn cn cn cn cn cn cn cn cn cn cn cn 33 33 33 33 33 33 33 63 63 63

M M M M CO eo CO to eo CO t t to t to to to CO co ro t to co M to M M M M M M M M M M M M co co eo co eo cn on -J VO o M M eo lb eo eo to to to ro Ol Ol on on lb J t M vo o n ] oo 00 00 vo VO VO O ^1 o CO o M eo eo cn

-j Ol 00 CO oo 00 on vo o 00 -j Ol on on on o CO M vo VD ! lb 00 ^3 o 00 CO lb CO cn o lb on ! 00 00 VO M M on CO o

O 00 cn OJ M M n o M eo J oo 01 cn to O VD VD 00 OJ Ul to OJ vo vo Ol on Ul VD vo eo on to M lb 00 on Ol Ol lb CO lb

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Ol lb lb lb lb lb lb lb lb lb on lb on on on Ul on on on on Ul on on Ul on on on ui ui on on on on on on on on Ul ui on on cn

Ol 00 vo CO vo ^1 CO vo ! CO O vo M o M M M CO to to 00 co oo CO oo on en cn lb on 00 lb eo 00 00 lb lb 0J lb oo lb o

VD to M on lb ^1 vo M 00 ι O vo ro OJ OJ Ul CO Ul o on lb l lb o o oo o M oo o CO ro M 00 lb vo on vo vo on on CO

VD oo ] o M lb 00 on oo Ol lb O M ^1 lb M o M on vo Ol on ! ro CO cn M 00 lb vo lb lb lb Ul on lb M oo Ol 01 CO o

M M M M M

^1 cn 01 on on cn Ol M vo vo co ~j Ol lb on lb 0J oo Ul lb on lb on lb on M M Ul oo on cn _^! 00 00 o M o o vo CO CO M

O CO ^1 on vo o vo M oo 1 oo 00 1 cn lb to o CO to on O 00 on -j lb CO ^1 M 00 00 M lb CO lb Ol 00 on 1 ui lb vo VD

VD oo M Ol eo 1 CO VD to ~j on OJ lb O VD VD oo lb ^1 CO on o 01 M M CO o vo OJ lb CO ^1 lb CO co OJ ^3 Ul ^j o CO to to to CO eo co CO CO eo to to ro to to to OJ OO 00 00 oo oo eo OJ OJ 0J oo 00 Ul 00 OJ oo 0J 00 00 00 OJ OJ 00 00 oo 00 lb

CO 00 CO 00 CO ^i CO vo vo vo 00 co 00 vo VD M O M M O O vo o o M on lb Ul Ul to eo 00 lb lb on on on Ul ! o co -o t lb lb o to vo CO M to on to lb M M o VD o O M o 00 00 t o VD cn M on OJ lb lb 00 lb M ] Ul to VD cn oo

VD on o vo 00 M lb on ι 00 oo to ^1 ^J Ul M M on M M OJ o on VD on oo O M on oo M lb lb lb M 1 on M 01 vo to o

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Φ. lb lb lb

O O O o O o o o o O O O O O O o O o o O O O O O O O o O O O O O O O O O o o o O o o

00 00 00 00 oo oo oo oo -J ~J ^1 ~J ^ ^1 ^1 ] cn cn on Ol Ol Ol Ol Ol on on on on ui ui ui lb lb lb lb lb lb lb lb OO Ul Ul

Ω Ω Ω Ω Ω Ω Ω Ω > l > > > > > H H H H H H H H < < < < < < > > > > > > > > P P P

P P P P P P P P CO tn tn tn CO tn CO rn P P P P P P P P > > > > > > > tn in tn to in to ω cn rs rs rs

G G G G G G G G 3 3 3 3 3 3 3 3 ts ts t ts ts rs ES ES P P P P P P P 3 3 3 3 3 3 3 3 G G G

Ω O Ω Ω Ω Ω Ω 3 Ω Ω 3 Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω Ω 3 Ω Ω Ω Ω Ω Ω 3 O Ω 3 Ω Ω Ω Ω 3 Ω Ω Ω

IS rs ti ω > ti ti Ω 03 to > ti 63 63 to > 63 63

M ω > C3 CJ 63 03 to M > CJ

CO M M M M to to CO

CO to to to to to to to M M M M M M M M CO CO CO CO M to eo eo eo eo CO to CO CO CO CO CO M M M to to M M M M eo to Ul to M to M O CO vo cn cn 01 -J 00 VO o o o M VO o M M eo to lb ui lb 00 to M M VO 00 vo o o vo VD VO Ul o M CO on Ol CO to lb VD 00 oo 00 ~J Ol on lb lb Ul CO lb on lb CO 1 VD Ol VD Ul lb co M M M Ul M oo on M 00 M lb 00

^1 to on to VO on ^1 M CO lb CO 00 o o on OJ M o eo lb CO lb o vo vo ^1 OO o o lb 00 CO 00 VD ^1 t M o oo Ul CO on

^3

J lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb Ul on on lb lb lb lb lb lb

M ^3 on 01 on lb oo 00 M oo 01 lb on lb 0J lb CO Ul on lb oo lb lb on lb on CO Ul -J 01 -J 01 ~J M o o vo 00 00 01 00 VO

VD -J J Ul 00 OJ to ~J VD o on en oo ] 01 to 00 lb lb 00 M lb M OJ M t 00 vo o on on on lb 00 M on ^1 ui VD VO o o

Ol o on Ol -J eo M o O oo o 01 oo lb vo -O o VD on -J VD oo UJ lb 01 lb 0J ^1 M 01 Ul CO lb -J lb M oo oo oo o Ul M

1 1 1 I

O M M M o o O M M M oo lb oo to OJ lb lb lb VD CO -J -J on on OJ lb lb lb lb oo oo M CO M M M M to lb lb Ul on

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03 > CJ CJ 63 to 3 63 03 tS tS tS CJ CJ Ω D3 > CJ O Ω 03 to > 6 > > > M to M to M to M to M

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lb lb lb lb lb lb lb lb lb lb lb ib lb ib ib ib ib ib lb lb lb ib ib ib lb lb ib ib ib lb lb ib ib ib lb lb lb lb ib ib

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M M M M M M M M M M M M M M to M M M M M M M M M M M M M M M M M M M M M M M M M O O M 00 to 00 lb lb lb oo eo OO to 00 O vo VD oo Ol on lb lb CO 00 00 lb Ul eo Ul to M M O M O O O o M vo o

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to to to eo eo eo to to to to eo to to co to co to ro t to M M M M to to to eo eo to to to to M M M M o o o o o o vo vo

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Ki Ki Ki Ki Ki Ki Ki i Ki Ki Kj Ki Ki Ki rs rs P P P P P P P P P P P P P t IS rs ts

33 33 33 33 33 33 33 33 CΛ en in CΛ cn in CΛ cn cn r 3s rs rs rs 3 33 33 33 33 33 G G G G σ G G G G Ki κl rs rs

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428 TYR CZ 29..49 46..80 13..59 39,.23

428 TYR OH 30. .28 45. .81 14. .12 39, .23

428 TYR C 26. .10 50. .84 14. .15 39. .42

428 TYR 0 24. .89 50. .66 14. .03 38. .97

429 LEU N 26. .74 50. .76 15. .30 39. .03

429 LEU CA 26. .05 50. .40 16. .53 39. .40

429 LEU CB 26. .99 50. .52 17. .72 39. .61

429 LEU CG 28. .06 49. .43 17. .74 40. .31

429 LEU CDI 29. .06 49. .67 18. .87 40. .30

429 LEU CD2 27. .38 48. .08 17. .91 40. .26

429 LEU C 24. .76 51. .17 16. .79 39. .45

429 LEU 0 23. .75 50. .57 17, .13 39, .06

430 MET N 24, .79 52. .49 16, .63 39, .54

430 MET CA 23 , .60 53. .28 16, .87 40, .05

430 MET CB 23 , .94 54. .77 16. .91 40, .71

430 MET CG 22, .85 55. .64 17, .52 42, .10

430 MET SD 22, .40 55, .11 19, .19 43, .50

430 MET CE 23, .93 55. .47 20, .09 43, .14

430 MET C 22. .55 53. .02 15. .79 39. .84

430 MET 0 21. .35 53. .01 16. .05 39. .99

431 ALA N 23. .03 52. .81 14, .56 39. .42

431 ALA CA 22. .13 52, .53 13 , .44 39. .19

431 ALA CB 22, .93 52, .52 12, .13 39. .28

431 ALA C 21. .46 51. .18 13 , .67 38, .97

431 ALA 0 20, .29 50. .98 13, .33 38, .48

432 LEU N 22, .22 50, .25 14, .24 38, .59

432 LEU CA 21, .71 48, .91 14, .52 38, .79

432 LEU CB 22, .87 47, .98 14, .90 38, .09

432 LEU CG 22. .59 46, .48 15. .07 38, .50

432 LEU CDI 21. .87 45, .91 13 .85 38, .10

432 LEU CD2 23. .91 45 .76 15 .30 37. .79

432 LEU C 20 .69 48 .99 15 .65 39. .01

432 LEU 0 19 .68 48 .30 15 .64 38, .82

433 LYS N 20, .96 49, .85 16, .63 39. .49

433 LYS CA 20. .05 50, .02 17, .75 40. .08

433 LYS CB 20. .64 50, .92 18, .83 40, .70

433 LYS CG 19. .69 51. .19 20, .00 41, .55

433 LYS CD 20. .20 52. .28 20 .92 42. .13

433 LYS CE 19. .16 52. .67 21, .96 42. .30

433 LYS NZ 18. .92 51 .57 22 .93 42, .56

433 LYS C 18. .73 50 .61 17 .27 40, .36

433 LYS 0 17 .67 50 .20 17 .73 40, .62 lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb lb Φ. lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

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lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb OJ 00 00 00 UJ Ul Ul to to to to to to to to M M M M M M M O O O o O O O O

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33 33 33 33 33 33 33 33 33 33 33 33 υ υ o υ O o o TJ TJ TJ TJ TJ TJ TJ TJ P P P P P P P t ts ES ES ES ES ES ts

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lb lb lb lb lb lb lb lb lb lb lb lb lb Φ. lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb φ. lb lb lb lb lb lb Φ- lb tn Ul Ul Ul Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb φ> lb lb lb lb lb lb φ. lb o O O O O O VD VD VD vo VO VO VD vo 00 00 00 03 00 00 ] -J ] ^1 ^1 ^1 ^1 1 cn Ol σi oi Ol 01 Ol Ul Ul ui Ul on on on

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CO ro > CJ to α 63 > 63 ω >

M o 63 03 > σ

eo to ro CO to to to to to to eo to to to CO to t t to CO eo eo M M M to ro o to CO to to CO eo eo eo eo M to to M t oo Ul M UJ 00 to OJ to o M M to to to M to on lb 00 eo CO eo 00 CO vo o M CO to CO on on 00 lb 00 M to vo M M vo o on ^1 on o lb ι 00 vo on to CO to M ! to eo M ro o Ul cn M VO lb on to lb oo lb ^1 on O en lb to M o Ol M o lb cn on on lb on cn Ul lb -^1 CO M _^) lb lb O CO on o VD CO lb 00 00 vo VD CO ! M M M lb vo vo CO O ^1 vo CO ^1 VD o lb to

^J

Ol

CO ro to ro to to 00 to to CO eo to to to OJ OJ 00 oo UJ UJ 00 00 00 OO oo Ul 0J 00 00 oo 00 00 oo oo 00 00 00 Ul 00 oo Ul 00 1 ^3 00 vo vo vo o vo O ^1 cn ^1 vo vo M o to to M CO o M 00 M to M to oo on lb on on lb -0 cn on Ol co CO o CO -J o ^3 vo M oo Ul on ! o lb vo 01 M ^1 00 J vo o to O on Ol vo VO ] 00 Ul M M oo M M oo M M lb oo on en ^1 on co oo cn Ul oo cn t oo cn M M ^1 oo on to OO ^1 OJ o to Ul lb to o 01 M O ui eo to ] 00 M on M ^J 1 CO oo VD vo oo on

00 00 oo 00 00 OJ oo 00 00 OJ OJ 00 OJ oo 00 oo to to to co eo to to to to to eo to to to to CO eo CO t to eo to to to to to oo ^1 l -j Ol lb Ul 00 00 lb OJ to to M o o CO vo vo CO 01 1 on 00 lb on cn on 01 on 00 lb lb 00 OJ oo UJ 00 lb to to M

^J lb lb 00 o VD Ul Ol M cn on on on 00 vo Ol Ol vo lb on CO to OJ 00 on cn 00 00 OJ lb vo CO oo 00 co 00 lb VD o vo lb vo cn lb 00 ^1 on O vo 01 o -j M oo J lb vo 00 CO VD vo lb vo VD VD 00 lb on en cn oo cn -J -J on -J cn on CO -J 1 lb 00 on lb lb lb lb lb lb lb lb lb lb lb lb lb lb OJ oo OJ oo Ul OJ 00 00 00 00 oo 00 oo 00 00 00 00 oo oo OJ oo 00 UJ oo oo Ul oo oo

Ul 00 00 oo 00 to M M o M M o o o vo VD oo 00 CO ^J Ol cn cn Ol on cn Ol on on lb lb on lb lb 00 lb lb lb lb lb lb ι on lb lb ro to on oi 00 M to VD CO M vo cn on vo CO o VD M -J on lb lb CO M on 00 M lb O CO lb vo cn lb 00 l lb on

CO CO to o to on o M CO o M on to ] on eo vo cn vo Ul Ol Ol o vo 1 01 to to vo on 01 CO eo -J cn lb M M M to 00 VD

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

Ul ui on on Ul Ul Ul Ul Ul ui ui Ul Ul Ul Ul Ul Ul Ul Ul Ul Ul ui on on on Ul on on on Ul ui ui Ul ui U Ul ui ui ui Ul Ul ui on O on Ul Ul ui Ul Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb OJ oo 00 OJ 00 oo to to t to M M M M M M M M M O O

> > β β ^pi ^{p p p}i ^pi i i i β Pi ^pi Pi ^pi in cn CΛ cn in n Ω Ω Ω Ω P P P P P P P P P H H P P EC EC EC EC EC EC EC Ki Ki Ki Ki Ki Ki Ki Ki LS ES ES ts ES ES P P P P Ki Ki Ki Ki Ki Ki Ki Ki Ki P P > > 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 Ki Kj CO cn cn CO cn in cn CΛ en ES ES

Ω 2 O Ω Ω O Ω Ω 2 Ω Ω Ω Ω Ω Ω Ω 2 O Ω O Ω Ω 2 O Ω Ω 2 O Ω 2 Ω Ω Ω Ω Ω 2 O Ω > Ω Ω 03 o Ω O Ω

EC t ts CJ ts O Ω 03 Ω 03 eo M > to to M M > > > t ES D Ω ω >

to t t to eo CO CO to t CO to OO 00 00 CO OJ 0J to t CO CO eo to to to CO CO eo CO to ro CO to 00 oo CO CO to to to CO eo

Ul on o 01 lb on lb on cn on Ol to M o vo M O VD co ^J CO -J ui on 01 ! vo 00 vo CO 01 -J M M vo VD o -J on on lb cn to to o M Ol -J ui on on lb vo vo vo co co ] ! Ul on M eo lb o 00 CO lb M cn eo ^1 ] on on o on M on M Ol ui vo oo ^1 on vo CO ^1 cn CO <1 CO CO vo M o eo on on OJ lb OJ lb M on 1 lb lb oo ] M lb lb on oo 00 Ol Ol -o on M Ol eo oo

^1

Ol Ol to to IO to CO IO to CO CO to to CO CO to to to to to to co co to to IO t to eo CO CO to to CO eo oo Ul 00 00 00 OJ OJ CO co

O M ro IO lb on lb CO 00 eo to 00 CO CO M OJ OJ to to 0J 00 u lb Ol on ui cn Ul cn ^1 CO CO vo to U) oo M M O o oo vo on Ul OJ M ~J o M oo M M CO o 00 o ^ lb M 0J o to ] -o VD Ul on oo lb to 00 cn vo Ol 00 lb Ul eo vo ^1 01 ^1 vo -J lb O VD n on ] to Ul CO CO CO vo lb o lb CO Ul o to OJ lb OJ lb M lb M CO ] cn M o lb to on 00 1 eo vo VO o o oo to to t t eo eo to ro Ul oo 00 00 00 00 00 OJ 00 0J OJ 00 00 0J 00 00 oo 00 oo 00 00 oo oo 00 Ul oo Ul 00 00 OJ OJ 0J OJ oo cn -O ! ^1 vo oo oo VD o M M on lb on lb OJ to 0J CO CO 00 0J 00 lb on ui on on cn -j Ol ^1 ι vo oo oo ^1 -J Ol Ol on on o IO lb CO CO M cn o o ^1 00 j vo lb on ] vo 0J lb IO lb 00 vo M M 00 vo ι on M -J ^1 M lb Ui M on on Ol 01 CO o oo Ul cn lb vo M CO oo Ul on M vo -J M vo to o to OJ o CO 00 Ol 01 on to M on vo VO on 00 o lb CO Ul on M o M 00 lb

00 Ul OJ 00 00 lb 00 00 Ul oo lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb

-J 00 vo vo vo O VD vo vo vo o CO CO to M to M M M o M M M eo to to eo 00 OJ OO lb lb lb cn O cn on on lb lb OJ OJ

00 lb 0J oo on M ^1 on ^1 on M 1 lb o cn M VO lb o Ol oo on 1 to o M ] vo en Ol M lb on to o M on M lb o 00 1 on vo on CO lb CO M oo co on 00 ~J cn M oo 00 on Ol CO o CO CO cn lb M lb lb oo o ^1 to 00 to vo M oo l o ^1 CO -J M

456 ALA CB 25..95 19,.12 26.39 37.56

456 ALA C 24. .51 20, .56 25, .01 38, .05

456 ALA 0 23. .33 20, .68 25 .37 37 .77

457 GLN N 24, .87 20, .43 23 .74 37, .85

457 GLN CA 23, .89 20, .45 22 .66 37, .82

457 GLN CB 23. .67 21, .89 22 .18 37, .57

457 GLN CG 22. .79 22, .02 20 .93 37 .02

457 GLN CD 23. .01 23, .32 20 .18 37, .17

457 GLN OEl 24. .14 23, .78 20 .04 36, .45

457 GLN NE2 21. .92 23, .91 19 .68 35, .90

457 GLN C 24. .30 19, .57 21 .47 37, .92

457 GLN 0 25. .48 19, .39 21 .19 37, .92

458 PHE N 23. .28 19, .04 20 .79 37, .81

458 PHE CA 23. .44 18, .22 19 .59 37, .77

458 PHE CB 23 .58 16. .74 19 .95 37, .79

458 PHE CG 24 .98 16. .36 20 .38 37. .86

458 PHE CDI 26 .02 16, .31 19 .44 37, .75

458 PHE CD2 25 .28 16, .12 21 .71 37, .52

458 PHE CEl 27 .33 16, .01 19 .84 37, .82

458 PHE CE2 26 .59 15. .82 22 .12 37, .83

458 PHE CZ 27 .61 15. .77 21 .17 37. .26

458 PHE C 22 .17 18, .50 18 .80 38, .04

458 PHE 0 21 .07 18. .52 19 .37 37, .66

459 GLU N 22 .32 18. .77 17 .51 38, .28

459 GLU CA 21 .19 19. .12 16 .66 38. .59

459 GLU CB 21 .00 20, .65 16 .67 38, .54

459 GLU CG 20 .10 21, .24 15 .57 38, .45

459 GLU CD 20 .07 22, .77 15 .57 38, .93

459 GLU OEl 21 .16 23, .39 15 .57 39, .08

459 GLU OE2 18 .97 23, .36 15 .59 37, .89

459 GLU C 21 .34 18, .64 15, .22 38, .96

459 GLU 0 22 .44 18, .65 14 .66 38, .45

460 HIS N 20. .23 18, .22 14 .64 39, .22

460 HIS CA 20. .17 17, .75 13, .27 39, .78

460 HIS CB 20. .08 16, .21 13 .22 39, .05

460 HIS CG 21. .41 15, .52 13, .18 38. .28

460 HIS CD2 21. .99 14 .65 14, .03 37. .67

460 HIS NDl 22. .31 15 .72 12 .16 37. .66

460 HIS CEl 23, .39 14 .99 12, .38 37. .51

460 HIS NE2 23, .22 14 .34 13, .52 37. .48

460 HIS C 18. .92 18 .34 12, .62 40. .60

460 HIS 0 17, .93 18 .62 13, .30 40. .74 lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb cn Ol 01 Ol oi Ol Ol Ol O O 01 σ 01 01 01 Ol 01 O 01 Ol 01 01 Ol cn cn 01 01 Ol cn cn Ol Ol Ol Ol Ol Ol O 01 Ol 01 cn cn on on on on on on on on on on on lb lb lb lb lb lb lb lb OJ 00 OJ OJ Ul oo UJ Ul to eo to CO CO CO CO eo M M M M M M M

> > > > > > > > > > > P P P P P P P P P P P P P P P P M H H H H H H H ^{p p}i ^pi ^pi ^{p p}i 33 33 33 33 •pa 33 33 33 33 33 ES ES ES LS LS ES LS LS ts ES ES LS t CS S t P P P P P P P P EC EC EC EC EC EC EC Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω Ω G G G G G G G G G G G G G G G G LS LS ts ES ts LS LS ts 33 33 33 33 33 33 33

O Ω 3 3 Ω 3 Ω Ω Ω Ω O Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω Ω 3 O Ω Ω O Ω Ω 3 EC EC N ES O Ω > CJ CJ Ω 03 O 3 Ω Ω 00 eo M ω 3 eo M > 0 co σ Ω CJ Ω Ω 03

M > M M to > to M >

M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

^1 -o to OJ OJ CO to M O vo VD 1 CO VD 1 CO CO VD o M M lb Ul Ul oo 00 OJ OJ lb CO oo on lb Ul on ] ι ι co CO ^1 CO

O vo VD VD M on 01 lb to o on 00 00 Ul 1 vo lb ui ] vo CO ~J Ol o ^3 o vo on M lb to lb lb co vo VO CO M ^J eo oo vo

CO M Ul 00 on eo oo to on vo 00 cn 00 Ul lb 00 ^1 o o on OJ -J CO lb to 00 ^1 vo 00 ~3 Ol to ~J o M 00 co M to 1 lb oo

Ol

~J M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M eo CO CO M M to oo M M M t oo lb Ul lb lb ui ui lb 01 on ui ui on lb ui CO cn -J cn on 01 CO 1 ui 01 on Ul Ol ] ~J 1 o M o VO 00

Ul M to OJ 00 VD ] on on M l ] M Ul to 00 ^■J to o lb Ul on cn M 00 on to M o ~3 lb lb ] on ] M CO on 00 M O Ul

^J Ol OJ lb on VO on to oo OJ lb OJ M lb M ^1 00 o lb o cn M CO M on to to to on M 00 o 00 CO o O ^3 o o to cn lb 1 M M M M M M M M M lb OJ o M o O M to to OJ lb Ul Ul o O vo ^1 Ol 01 on on lb 00 lb lb en ! co oo to M M O vo O VO VO 00 o vo o M

M to -O OJ lb on vo OJ lb to cn to Ul _^) to 00 oo CO CO VD OJ -J lb -J VD to OJ on 00 o o on lb 00 O co CO on eo on Ul OJ to o M OJ lb vo oo o lb 1 lb o o 00 00 lb 00 vo 00 OJ OJ ro to to to CO Ul o Ol lb O co Ul VD M o cn o o to ] M on on U On on on on on on on on Ul Ul lb on Ul Ul Ul lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb oo OJ lb lb lb lb OJ 00 to to M o o VD o o o o VD VD oo -3 ^1 -J ] ] 01 on 01 ui 01 on Ul on lb oo 00 CO OJ to t M

M OJ lb OJ CO M ^1 lb CO -J _^) 01 vo 00 o o o oo on M 00 OJ on 00 cn VO vo vo o ^1 O CO on on 00 oo on vo lb CO -0 -J to lb 00 on OJ on o lb ι OJ vo Ol to ui lb CO oo to to Ol lb Ul lb M cn CO lb 00 ^3 lb O vo o on CO cn vo 00 vo J ^1 M

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb ib lb

O ^1 -0 _^) -J O ^1 ^J -J _^) ~J ^3 -J on Ol Ol cn on Ol 01 on Ol Ol Ol cn cn on Ol cn o on oi Ol Ol on on on 01 Ol Ol Ol Ol

M M M M O o o o o o o O O vo VD VD o vo VD vo vo VD oo co 00 00 CO CO -j cn on 01 Ol Ol O Ol

< < < < Ω Ω Ω Ω Ω Ω Ω Ω Ω P P P P P P P P P Ω Ω Ω Ω Ω Ω P1 P3 P1 P1 P3 P1 P3 TJ TJ TJ TJ TJ 13 T!

> > > P P P P P P P P P Ki Ki Ki i Ki i Ki Ki Ki κ| Ki Ki Ki Ki EC EC EC EC EC EC EC 33 33 3 33 33 33 33

P P P P G G G G G G G G G 10 in to CΛ cn cn (Λ to in CO CO CO co CO CO 33 33 33 3 3 33 33 O O O O O O O

Ω Ω Ω 3 Ω Ω O Ω Ω Ω Ω Ω 3 o Ω 2 Ω Ω Ω Ω Ω 2 o Ω CO Ω Ω 2 O Ω Ω O Ω Ω 2 0 Ω Ω Ω Ω Ω 2

63 to > IS rs ti 63 to > ts ts π 63 to 63 00 > Ω Ω 00 > Ω 03 > CJ

M ro >

M to M

M M M M M M M M M M M M M M M M M M M M M M M M M M M vo CO on on CO O ^3 Ol ui Ul 00 00 OJ M M M to M M M O O to M O vo CO CO -J vo 00 -J ] Ul cn on ui ui -J ]

00 Ul VO O CO 0 to 0 O CO lb CO CO vo t lb VD on M lb ^1 M lb on lb to O M cn ui Ul cn 00 cn 00 lb eo vo ui vo t M 01 ^1 vo VO lb vo M tb on Ul ui Ul Ul OJ 1 Ul Ul ^1 01 00 cn O on CO Ul lb VD lb lb CO M on M 00 00 M ui 0 vo lb

^■-J

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00 M M M M M M M M M M M M M M M M M M M M M M M M M M M M M OJ CO OJ to lb OJ UJ 0O to CO CO CO to vo O VD O M M O O O M 0 VO 00 vo vo -J CO CO CO CO 00 0 0 0 lb CO to lb 00

M 00 to lb to 0 M M VO 00 01 M M vo VO on to lb on VD O lb 00 to Ul M lb 00 ui vo 00 lb VD Ul M 00 M 01 00 M t CO 00 M Ol cn on Ul O M 1 M Ol M lb 0 O 00 0 CO O vo OJ on M on vo lb 00 00 on lb lb on on lb CO on 1 M

M M M M 1 O vo 00 ] 0 ι to to OJ lb lb cn 01 ~0 ] 0J M M vo CO ~J O lb on 00 lb lb 0J Ul CO 0 0 0 M M CO CO 0 0 M 0 to vo o 00 vo lb 00 01 Ul O lb VO lb t M M 00 CO CO 00 lb VD 00 M 0 on 0J 0 ^1 vo to eo on lb 0 OJ lb CO vo O to lb to 01 on eo ^3 Ul on lb CO 00 on to to 00 O CO on O VD on lb on lb to VD Ul OJ -0 0 on on Ol 01 on lb lb ^1 J VO lb lb lb lb lb lb Ul lb lb lb lb lb on on on Ul on On on on on on on on on on on on on on Ul on on on Ul Ul on Ul Ul on Ul on

^1 CO VD VO 0 VD VO VO VO VD O M M 0 M M M M M to 00 OJ lb 00 00 lb lb lb Ul on on lb lb lb lb lb lb lb lb J lb on to to M M 0 O VD 01 ~0 ^3 on to to to O O 00 on on 00 00 ro 00 -0 to on on M -0 O Ol Ul O 00 CO 0 M M O

OJ 00 lb 0 M Ul 0 OJ 00 Ul on 00 0 M lb O 00 0 CO M on 0 to 01 01 on OJ Ol Ol lb OJ vo 00 M 00 00 OJ

lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb

~J ι ^1 ] ^3 ] ! ^3 ^3 ^1 ^1 ^1 ^1 ^3 ^1 ^J 1 ^1 ^1 ~J -J ^1 -J -J -J -J ^1 ^1 -J ^3 -J -J -J ^3 -J -~0 ~J -J ~J ~0 -J ~J

^1 ^1 ^1 Ol Ol Ol 01 Ol Ol Ol Ol on Ul Ul Ul lb lb lb lb lb lb lb lb lb lb 00 00 00 UJ Ul Ul CO to to CO CO CO CO M M M

> > > > > > > > > > Ω Ω Ω Ω > > > > > > > > > > > CΛ in cn cn cn CO in cn m to to cn cn m tn in in P P P P rs rs rs rs rs rs < < <

33 33 33 3J 3J 33 33 33 ^•pa 33 33 Si Si Si Si Si Si ≤

TJ TJ T3 TJ TJ TJ T3 TJ J TJ TJ i Ki Ki Ki 63 63 63 63 63 63 63 63 63 63 63 >

33 33 3J 33 33 33 P > >

P P P P P P P P P

Ω Ω 3 o Ω Ω O Ω Ω Ω 3 Ω Ω Ω 3 Ω Ω 3 2 Ω 2 Ω Ω Ω Ω 2 Ω Ω Ω Ω Ω 3 O Ω Ω Ω Ω Ω 2 O Ω Ω

03 > D 63 03 EC ts ts CJ 63 03 Ω 03 > Ω to α M > > EC eo M > 63 03 > 63 eo M ro

l Ul Ul 00 ro 00 00 oo OJ ro CO to to to to to to M to to t to ro to to CO to t CO CO to eo CO eo M M M M M to M M

O O O O VD CO CO M o vo 00 Ol ~J -j on lb lb vo to M M 0J 00 to OJ CO lb 00 M CO to M eo M VO co 00 VO CO o vo 1

VD lb O eo vo CO M -J Ol lb VD VD Ol M co VD 00 VD O M 01 o to on lb ] lb OJ lb 0J on CO o O CO 1 VO 01 -J to M lb ] Ul M vo on M o oo on CO M VD vo lb M oo OO O M VD on on lb lb ] ] lb CO Ol lb M CO to -J o ~j VO 00 ^3 oo M Ul

^J

Ol

SO M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M M

Ul M M co vo VO O vo CO vo O O O to to to to O O O O o o M to lb Ul on -o -O 01 on ui Ul cn 1 on on lb 00 OO M o on O VD ! Ol Ul cn cn oo lb t oo O 0J VD ^1 lb vo O lb Ol on ^1 vo o Ul OJ OJ on 00 vo lb lb on OJ M O Ul M Ol cn

Ul O on M lb _^) M vo 00 o lb VO cn o on o lb M lb to VD 1 00 M VD vo Ol o Ol M oo M co V0 o ~J on CO to M CO o

M M M M M M M M M M M M M M M M

Ul Ul M eo M CO o vo vo O VO O VD vo vo -o 00 OJ lb Ul ro M o VO VD 00 VD 00 o co 00 ^1 Ul on OJ on on on cn O -J o

O ro VO on ^1 o o eo on 00 on vo to ~J -J vo on lb lb to CO OJ on Ol VD 00 00 o VD o 01 Ul 00 vo o M vo vo VO CO Ol

^1 lb on vo lb cn vo eo ~j Ol Ol VD cn to on lb lb co OJ lb o to M lb o to o OJ ] vo vo M cn Ol o M 00 eo ui on ^1 Ol lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb lb ib lb lb lb lb lb lb lb lb lb lb lb lb lb lb cn cn 01 on lb lb lb lb lb lb lb OJ lb lb lb lb lb J lb lb lb lb lb lb lb lb lb 00 lb lb lb lb lb ui Ol 01 ! lb lb co VD CO ι Ul CO on 00 lb M J O to O 1 01 lb 01 to M VD M O o -J lb 1 CO 00 to lb oo lb to lb on lb OJ on 01 lb lb lb oi VD eo eo to 00 Ul vo Ol J on M VD cn ] 00 to VD 00 ~3 0J ^J ui M M VD OJ oo 1 1 01 o CO CO lb cn -J o 1

477 ASP CG 30..19 13..84 12..05 44..79

477 ASP ODl 28. .95 13. .70 11. .96 44. .29

477 ASP OD2 30. .83 14. .64 11. .33 45. .14

477 ASP C 29. .28 11. .58 14. .23 44. .27

477 ASP O 29. .40 11. .01 15. .32 44. .38

478 TYR N 28. .15 12. .18 13. .86 43. .73

478 TYR CA 26. .99 12, .19 14. .73 43. .46

478 TYR CB 27. .09 13, .30 15. .80 43. .46

478 TYR CG 27. .10 14, .71 15. .25 43. .85

478 TYR CDI 28. .28 15, .29 14. .75 43. .55

478 TYR CEl 28. .28 16. .59 14. .23 43. .65

478 TYR CD2 25. .93 15. .48 15. .22 43. .95

478 TYR CE2 25. .92 16. .78 14. .71 43. .81

478 TYR CZ 27. .10 17. .33 14. .22 43. .75

478 TYR OH 27. .08 18. .60 13. .70 43. .65

478 TYR C 25. .70 12, .38 13. .94 43. .43

478 TYR O 25, .78 12, .61 12. .71 43. .38

478 TYR OT 24, .63 12. .29 14. .58 42, .89

601 HOH O 40. .96 24. .60 31. .41 38, .90

602 HOH O 17. .66 5. .85 28, .57 33 , .73

603 HOH O 37, .84 17. .16 20, .77 35, .75

604 HOH O 44, .28 16. .24 17, .14 49, .98

605 HOH O 36, .92 10 .80 26. .86 45, .16

606 HOH O 17. .76 9 .01 15. .77 50. .92

607 HOH O 33, .08 21 .60 38, .40 53. .30

608 HOH O 42, .61 14 .97 29, .17 44. .83

609 HOH 0 34 .78 9 .51 31, .57 48 .01

610 HOH 0 8, .52 23 .71 8, .09 51 .80

611 HOH 0 37 .99 15 .37 12, .62 38 .59

612 HOH 0 35 .30 23 .22 34, .67 36 .67

613 HOH 0 36 .08 17 .50 4 .68 50 .76

614 HOH 0 22 .70 13 .71 41 .28 39 .85

615 HOH 0 43 .23 15 .48 14 .68 57 .85

616 HOH 0 31 .20 15 .43 18 .63 56 .36

617 HOH 0 35 .08 8 .37 29 .35 41 .94

618 HOH 0 21 .05 11 .32 39 .62 74 .22

619 HOH 0 34 .05 16 .76 22 .68 60 .52

620 HOH 0 42 .23 16 .19 32 .92 45 .92

621 HOH 0 18 .15 5 .83 26 .08 51 .35

622 HOH 0 25 .46 13 .19 45 .10 35 .93

623 HOH 0 21 .56 6 .20 36 .09 65 .63

624 HOH 0 37 .79 13 .74 34 .29 48 .72 625 HOH O 21..14 17..72 39..71 47..57

626 HOH O 22. .93 13, .20 45, .88 33. .82

627 HOH O 24. .36 9. .15 22. .91 51. .03

628 HOH O 40. .63 16. .95 20. .42 55. ,97

629 HOH O 39. .29 14. .72 17. .34 62. ,60

630 HOH O 44. .49 23. .69 10. .01 51. ,94

631 HOH O 38. .43 19. .38 35. .50 50. ,10

632 HOH O 24. .38 10. .14 16. .59 42. .91

633 HOH O 29. .77 12. .67 7, .88 43. .52

634 HOH O 22. .67 13. .47 17. .31 48. .77

635 HOH O 44. .77 23. .74 16. .25 27. .27

636 HOH O 27. .26 7, .78 13 , .37 74. .34

637 HOH O 25. .16 11, .92 2, .20 50. .00

638 HOH O 29. .59 25, .53 4. .98 61. .09

639 HOH O 22. .55 8. .27 20. .76 65. .63

640 HOH O 20. .15 7, .26 20. .76 66. .95

641 HOH O 42, .47 16, .48 26. .89 74, .07

642 HOH O 29, .92 11, .99 34. .64 39, .84

503 HOH O 29. .99 39. .17 15. .97 21. .04

504 HOH O 33. .58 35, .44 8. .38 27. .03

505 HOH O 24. .23 37, .28 20, .63 29. .69

506 HOH O 22. .25 46, .80 20, .07 39. .04

507 HOH O 14. .97 26, .69 4, .85 33. .08

508 HOH 0 36, .91 20. .28 28, .02 28. .46

509 HOH 0 18, .25 39. .52 8. .89 33. .24

510 HOH o 28, .39 30, .23 10, .35 24. .44

511 HOH 0 31. .90 39, .44 21, .93 29. .25

512 HOH 0 13. .61 38, .26 14, .17 38, .57

513 HOH 0 34. .86 40, .78 10, .98 28, .60

514 HOH 0 24. .57 44. .12 23, .61 47, .08

515 HOH 0 29. .57 32. .21 25, .51 34, .55

516 HOH 0 24. .61 30. .36 16, .26 24, .91

517 HOH 0 41 .98 36 .44 17 .89 35, .86

518 HOH 0 29, .07 24. .14 -3, .69 37, .93

519 HOH 0 21, .57 22, .05 -5, .93 47. .20

520 HOH 0 29, .41 39, .53 5, .85 40, .94

521 HOH 0 16, .32 35, .57 22, .90 33, .87

522 HOH 0 19, .36 56, .92 18, .14 34, .30

523 HOH 0 23, .33 35, .09 6, .67 31, .20

524 HOH 0 28, .79 36, .45 6, .07 35. .53

525 HOH 0 33, .60 48, .11 12, .04 52. .62

526 HOH 0 7 .35 14, .10 -9, .59 42. .85 527 HOH O 29..90 13..96 32..24 34..32

528 HOH O 32. .91 26. .98 34. .02 42. .72

529 HOH O 39. .74 28. .04 6. .93 36. .85

530 HOH O 23. .65 34. .00 1. .77 34. .70

531 HOH O 24. .23 29, .54 18, .61 30. .20

532 HOH O 0. .18 6, .28 4 .97 53. .85

533 HOH O -4. .72 7, .95 9 .46 53. .83

534 HOH O 18. .32 59, .93 3 .35 36. .66

535 HOH O 38. .13 35, .61 20 .81 33 , .64

536 HOH O 14. .98 63, .42 2 .68 50. .88

537 HOH O 3. .22 9. .31 5, .79 47. .11

538 HOH O 38. .95 41. .60 16. .89 49. .18

539 HOH O 9, .00 28. .23 4, .14 42. .56

540 HOH O 11. .48 53, .84 0. .20 48. .55

541 HOH O 35. .36 15, .29 37. .13 34. .86

542 HOH O 13. .82 39, .48 20 .49 54, .63

543 HOH O 45. .18 35, .50 22 .71 42, .58

544 HOH O 30. .07 37, .93 2 .14 41, .34

545 HOH 0 16 .70 37 .05 30 .50 53, .26

546 HOH 0 37 .32 45 .78 6 .01 47, .93

547 HOH 0 2. .02 46, .50 0. .05 49, .70

548 HOH 0 31, .64 37, .97 26. .04 36, .62

549 HOH 0 22, .04 56, .83 3, .47 35, .10

550 HOH 0 19, .11 32, .40 9. .94 37, .57

551 HOH 0 37, .15 40, .38 14. .84 47, .60

552 HOH 0 36, .76 38, .71 27. .88 47, .33

553 HOH 0 28, .68 36, .66 -2 .85 46, .70

554 HOH 0 24 .14 32, .77 37 .89 50, .13

555 HOH 0 37 .22 5 .12 31 .59 53 .21

556 HOH 0 11 .80 54 .60 -2 .34 44 .56

557 HOH 0 29 .47 26 .01 -9 .75 47 .17

558 HOH 0 36, .68 12, .59 24. .69 48, .17

559 HOH 0 26, .08 37. .90 2. .62 40. .27

560 HOH 0 5, .91 5, .34 1. .75 56. .49

561 HOH 0 16, .56 41, .22 0. .73 41. .25

562 HOH 0 5, .70 38, .62 6. .71 60. .15

563 HOH 0 38. .67 10, .95 37 .34 57. .72

564 HOH 0 37. .26 30 .31 27 .75 26 .06

565 HOH 0 22. .01 41 .01 26 .57 51 .92

566 HOH 0 20 .07 6 .03 13 .51 46 .45

567 HOH 0 31 .50 .47 18 .95 49 .96

568 HOH o 30. .47 32, .18 29. .21 51, .84 569 HOH O 19..98 51,.72 26..01 44..88

570 HOH O 16. .84 47, .76 0. .80 42, .64

571 HOH O 27. .63 22, .90 37. .56 43. .72

572 HOH O 3. .39 3, .01 2. .42 60. .27

573 HOH O 19. .18 6, .04 4, .95 53, .19

574 HOH O 21. .49 42 .93 23, .61 50, .84

575 HOH O 38, .14 43 .56 10. .84 45, .82

576 HOH O 26, .22 50 .12 0, .00 17, .22

577 HOH O 40, .39 14 .01 -13. .20 53, .72

578 HOH O 8, .52 7 .53 33. .59 46 .21

579 HOH O 46. .16 38, .86 16. .09 46, .96

580 HOH O 30. .33 52, .83 8. .05 50. .13

581 HOH O 44. .73 35, .56 15. .30 54. .29

501 C02 CO+2 21. .27 25, .51 15. .51 39. .84

502 C02 CO+2 18. .39 25 .47 15. .76 49. .15

601 405 Cl 19. .29 29 .78 15, .85 74. .72

601 405 C2 17. .89 30 .15 15, .97 74 .79

601 405 C3 20 .36 30 .80 15, .64 74 .62

601 405 N4 19 .89 28 .56 15, .89 74 .71

601 405 C5 17 .62 31 .60 15 .88 74 .68

601 405 C6 16, .82 29, .21 16, .18 74. .92

601 405 C7 20, .07 32 .20 15. .55 74. .52

601 405 N8 21, .54 30 .17 15. .57 74 .48

601 405 N9 21. .19 28 .87 15, .72 74 .55

601 405 CIO 18 .68 32 .56 15, .67 74 .60

601 405 Cll 16 .26 32 .02 15, .99 74 .74

601 405 C12 15 .48 29 .68 16, .29 75 .03

601 405 C13 15 .20 31 .08 16, .19 74 .92

Claims

WHAT IS CLAIMED IS:

1. A method of inhibiting hMetAP2 which comprises administering to a mammal in need thereof a compound comprising one or two heteroatoms that fits spatially into the active site of hMetAP2, said compound comprising any one of the following: i) interaction, singly, or jointly as a pair, to one or both metals in the active site of hMetAP2, wherein the metals are selected from cobalt, zinc, manganese, iron and nickel, and wherein the heteroatoms are 1.5 - 3.5A from the closest metal; ii) hydrogen bonding interactions with histidine 231 ; iii) hydrophobic interactions with atoms of two or more amino acid residues selected from tyrosine 444, histidine 231, histidine 382, alanine 414, tyrosine 383, phenylalanine 219, proline 220, methionine 384, glycine 222, and isoleucine 338; iv) hydrophobic interactions with one or more residue selected from histidine 339, isoleusine 338 or tyrosine 444; v) hydrogen bonding interactions with asparagine 315; or vi) hydrophobic interactions with one or more residues selected from leucine 328, leucine 447, histidine 231, or alanine 230.

2. A method of inhibiting hMetAP2 which comprises administering to a mammal in need thereof a compound comprising one or two heteroatoms that fits spatially into the active site of hMetAP2, said compound comprising any one of the following: i) an interaction singly, or jointly as a pair, to one or both metals in the active site of hMetAP2, wherein said heteroatom is 1.7 - 2.4A from the closest metal; ii) an atom capable of hydrogen bonding such as oxygen, nitrogen or sulfur, that interacts with histidine 231 , such that the distance between the atom and histidine 231 is 2.2 - 4.5A; iii) a hydrophobic group that interacts with a residue selected from tyrosine 444, histidine 231, histidine 382, alanine 414, tyrosine 383, phenylalanine 219, proline 220, methionine 384, isoleucine 338, and glycine 222, such that the distance between the hydrophobic group atom and the residue is 2.2 - 4.5A; iv) a hydrophobic group that interacts with isoleucine 338, tyrosine 444 or histidine 339, wherein histidine 339 may exist in one of at least three different conformations selected from the following pairs of sidechain rotameric angles chi- 1 and chi-2: (-164,177), (-150,-133), or (-70,-149). v) a group capable of hydrogen bonding such as a carbonyl oxygen or an ether oxygen that interacts with asparagine 315. vi) a hydrophobic group such as a methyl group in contact with leucine 328, leucine 447, histidine 231, or alanine 230, such that the distance between the hydrophobic group and the residue is 3.4 - 5.0A.

3. The method of claim 1, wherein the compound comprises one or more of the following interactions: i) interaction, singly, or jointly as a pair, to one or both metals in the active site of hMetAP2, wherein the metals are selected from cobalt, zinc, manganese, iron and nickel, and wherein the heteroatoms are 1.5 - 3.5A from the closest metal; ii) hydrogen bonding interactions with histidine 231 ; iii) hydrophobic interactions with atoms of two or more amino acid residues selected from tyrosine 444, histidine 231, histidine 382, alanine 414, tyrosine 383, phenylalanine 219, proline 220, methionine 384, glycine 222, and isoleucine 338; iv) hydrophobic interactions with one or more residue selected from histidine 339, isoleusine 338 or tyrosine 444; v) hydrogen bonding interactions with asparagine 315; or vi) hydrophobic interactions with one or more residues selected from leucine 328, leucine 447, histidine 231, or alanine 230.

4. The method of claim 1 wherein the compound is: 4-(4-methylphenyl)- IH- 1 ,2,3-triazole; 3-anilino-5-[2-(phenyl)ethyl]-l,2,4-triazole;

3-methylacetate-3-anilino-5-benzylthio- 1 ,2,4-triazole;

3-(2-isopropyl-anilino)-5-(thiophen-2-ylthio)- 1,2,4-triazole;

4-(3-methylphenyl)-lH-l,2,3-triazole;

4-(2-chlorophenyl)-lH-l,2,3-triazole; 3-Benzyl-5-(benzylthio)- 1 ,2,4-triazole;

3-anilino-5-benzylthio- 1,2,4-triazole; or lH-naptho[l,2-<J]-l,2,3-triazole, or a pharmaceutically active salt or solvate thereof.

5. A method of identifying an inhibitor compound capable of binding to, and inhibiting the proteolytic activity of, hMetAP2, said method comprising: introducing into a suitable computer program information defining an active site conformation of a hMetAP2 molecule comprising a catalytically active site, said active site defined by the protein coordinates of Table I, wherein said program displays the three-dimensional structure thereof; creating a three dimensional representation of the active site cavity in said computer program; displaying and superimposing the model of said test compound on the model of said active site; assessing whether said test compound model fits spatially into the active site; preparing said test compound that fits spatially into the active site; using said test compound in a biological assay for a protease characterized by said active site; and determining whether said test compound inhibits hMetAP2 activity in said assay.

6. A peptide, peptidomimetic or synthetic molecule identified by the method of Claim 5.

7. A method of drug design comprising using the structural coordinates of a hMetAP2 crystal to computationally evaluate a chemical entity for associating with the active site of hMetAP2.

8. The method according to claim 7, wherein said entity is a competitive or non-competitive inhibitor of hMetAP2.

9. A method for identifying inhibitors which competitively bind to the active site of a hMetAP2 molecule or fragment thereof characterized by a catalytically active site, said active site defined by the protein coordinates of Table I, said method comprising the steps of: providing the coordinates of said active site of the protease to a computerized modeling system; identifying compounds which will bind to the structure; and screening the compounds identified for protease inhibitory bioactivity.

10. A method for identifying a potential inhibitor for a hMetAP2 enzyme, said method comprising: using a three-dimensional structure of said enzyme as defined by the protein coordinates of Table I; employing said three-dimensional structure to design or select said potential inhibitor; synthesizing said potential inhibitor; and contacting said potential inhibitor with said enzyme in the presence of a substrate to determine the ability of said potential inhibitor to inhibit said enzyme.

11. The method of claim 10, wherein said potential inhibitor is designed de novo.

12. The method of claim 10, wherein said potential inhibitor is designed from a known inhibitor.

13. The method of claim 10, wherein said step of employing said three- dimensional structure to design or select said compound comprises the steps of: identifying chemical entities or fragments capable of associating with said enzyme; and assembling the identified chemical entities or fragments into a single molecule to provide the structure of said potential inhibitor.

14. The method of claim 13, wherein said potential inhibitor is designed de novo.

15. The method of claim 13, wherein said potential inhibitor is designed from a known inhibitor.