FMODB ID: V2M81
Calculation Name: 7K8M-ABE-Xray220
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 7K8M
Chain ID: ABE
Base Structure: X-ray
Registration Date: 2021-04-08
Reference: K. Watanabe, C. Watanabe, T. Honma, Y.S. Tian, Y. Kawashima, N. Kawashita, T. Takagi, K. Fukuzawa, Intermolecular interaction analyses on SARS-CoV-2 receptor binding domain and human angiotensin-converting enzyme 2 receptor-blocking antibody/peptide using fragment molecular orbital calculation, J. Phys. Chem. Lett. 2021, 12, 16, 4059-4066
DOI: 10.1021/acs.jpclett.1c00663
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Manual |
Number of fragment | 612 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12433338.833551 |
---|---|
FMO2-HF: Nuclear repulsion | 12195163.148296 |
FMO2-HF: Total energy | -238175.685255 |
FMO2-MP2: Total energy | -238870.313802 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-430 : frag 431-612)
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-412.2735 | -373.8919 | 234.5108 | -110.1439 | -162.7485 | -0.0957 |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:GLN )
Summations of interaction energy for
fragment #1(A:1:GLN )
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
2.668 | 5.859 | 0.444 | -1.208 | -2.428 | 0.004 |
Interaction energy analysis for fragmet #1(A:1:GLN )
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | GLN | 0 | -0.016 | -0.006 | 3.819 | 1.211 | 2.965 | -0.007 | -0.791 | -0.957 | 0.001 |
4 | A | 4 | LEU | 0 | -0.012 | -0.001 | 5.922 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | VAL | 0 | 0.021 | 0.012 | 8.775 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | GLU | -1 | -0.763 | -0.878 | 11.433 | -0.803 | -0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | SER | 0 | -0.021 | -0.021 | 15.226 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | GLY | 0 | 0.038 | 0.015 | 17.916 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | GLY | 0 | 0.012 | 0.014 | 21.189 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | GLY | 0 | -0.001 | -0.010 | 22.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | LEU | 0 | -0.037 | -0.009 | 26.195 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ILE | 0 | -0.019 | -0.005 | 29.937 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLN | 0 | 0.060 | 0.019 | 31.889 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | PRO | 0 | 0.000 | -0.010 | 35.067 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | GLY | 0 | -0.021 | -0.007 | 36.649 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | GLY | 0 | -0.005 | 0.003 | 34.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | SER | 0 | -0.034 | -0.027 | 31.110 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | LEU | 0 | 0.003 | 0.001 | 25.718 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ARG | 1 | 0.930 | 0.979 | 22.359 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | LEU | 0 | -0.006 | 0.018 | 20.448 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | SER | 0 | -0.008 | -0.026 | 17.576 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 92 | CYS | 0 | -0.081 | -0.026 | 14.063 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | ALA | 0 | 0.030 | 0.032 | 11.629 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | ALA | 0 | 0.018 | 0.007 | 8.737 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | SER | 0 | 0.023 | 0.013 | 4.296 | 0.361 | 0.565 | -0.001 | -0.019 | -0.184 | 0.000 |
26 | A | 26 | GLY | 0 | 0.046 | 0.025 | 2.641 | -2.374 | -1.656 | 0.415 | -0.580 | -0.553 | 0.003 |
27 | A | 27 | PHE | 0 | 0.005 | -0.001 | 3.231 | 2.677 | 2.705 | 0.035 | 0.244 | -0.307 | 0.000 |
28 | A | 28 | ILE | 0 | 0.043 | 0.031 | 6.994 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | VAL | 0 | 0.046 | 0.023 | 9.946 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | SER | 0 | -0.042 | -0.046 | 12.839 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | SER | 0 | 0.022 | 0.028 | 12.412 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | ASN | 0 | -0.044 | -0.023 | 10.609 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | TYR | 0 | -0.026 | -0.002 | 14.421 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | MET | 0 | -0.035 | -0.005 | 12.795 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | SER | 0 | 0.017 | -0.023 | 16.721 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | TRP | 0 | -0.025 | -0.012 | 18.250 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | VAL | 0 | 0.002 | -0.003 | 20.268 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ARG | 1 | 0.776 | 0.863 | 21.501 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLN | 0 | 0.034 | 0.029 | 23.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ALA | 0 | 0.032 | 0.024 | 25.464 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | PRO | 0 | 0.023 | -0.006 | 28.486 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLY | 0 | -0.002 | 0.003 | 29.018 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | LYS | 1 | 0.878 | 0.949 | 29.550 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLY | 0 | 0.081 | 0.035 | 27.708 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | LEU | 0 | -0.052 | -0.017 | 22.294 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | GLU | -1 | -0.769 | -0.850 | 25.861 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | TRP | 0 | 0.006 | -0.003 | 22.658 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | VAL | 0 | -0.006 | 0.007 | 24.371 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | SER | 0 | -0.016 | -0.030 | 23.568 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | VAL | 0 | -0.017 | 0.012 | 20.114 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ILE | 0 | -0.022 | -0.004 | 18.511 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | TYR | 0 | 0.025 | -0.032 | 19.355 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | SER | 0 | -0.002 | -0.004 | 17.143 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLY | 0 | 0.011 | 0.023 | 18.573 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | GLY | 0 | -0.028 | -0.020 | 21.807 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | SER | 0 | -0.038 | -0.038 | 22.857 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | THR | 0 | -0.022 | -0.007 | 23.469 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | PHE | 0 | -0.017 | -0.005 | 25.381 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | TYR | 0 | -0.012 | -0.008 | 26.107 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ALA | 0 | 0.037 | 0.027 | 28.531 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ASP | -1 | -0.913 | -0.968 | 30.235 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | SER | 0 | -0.012 | -0.010 | 31.634 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | VAL | 0 | -0.004 | -0.001 | 28.512 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LYS | 1 | 0.976 | 1.006 | 31.687 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLY | 0 | -0.025 | -0.014 | 32.718 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ARG | 1 | 0.750 | 0.844 | 32.870 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PHE | 0 | 0.013 | -0.005 | 27.159 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | THR | 0 | -0.038 | -0.026 | 26.468 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ILE | 0 | -0.009 | 0.012 | 19.920 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | SER | 0 | -0.009 | -0.008 | 21.609 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ARG | 1 | 0.858 | 0.908 | 16.743 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ASP | -1 | -0.820 | -0.890 | 17.237 | -0.615 | -0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ASN | 0 | 0.029 | 0.004 | 15.540 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | SER | 0 | -0.004 | 0.008 | 14.897 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | LYS | 1 | 0.850 | 0.919 | 14.364 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ASN | 0 | -0.007 | 0.006 | 8.250 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | THR | 0 | -0.030 | -0.013 | 11.554 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | LEU | 0 | -0.005 | -0.003 | 14.297 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | TYR | 0 | -0.029 | -0.029 | 16.316 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | LEU | 0 | 0.029 | 0.011 | 19.881 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | GLN | 0 | -0.034 | -0.015 | 22.853 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | MET | 0 | -0.015 | 0.006 | 25.588 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 82 | ASN | 0 | 0.034 | -0.008 | 28.760 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 82 | SER | 0 | 0.007 | 0.010 | 32.481 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 82 | LEU | 0 | -0.002 | 0.017 | 29.411 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 83 | ARG | 1 | 0.866 | 0.908 | 33.578 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 84 | ALA | 0 | 0.069 | 0.035 | 33.797 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 85 | GLU | -1 | -0.835 | -0.906 | 33.727 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 86 | ASP | -1 | -0.744 | -0.828 | 30.127 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 87 | THR | 0 | -0.022 | 0.006 | 28.997 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 88 | ALA | 0 | -0.005 | -0.010 | 26.052 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 89 | VAL | 0 | 0.000 | 0.012 | 20.537 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 90 | TYR | 0 | -0.021 | -0.035 | 21.497 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 91 | TYR | 0 | 0.030 | 0.003 | 16.864 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 93 | ALA | 0 | 0.033 | 0.001 | 14.258 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 94 | ARG | 1 | 0.828 | 0.887 | 9.991 | 0.795 | 0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 95 | ASP | -1 | -0.832 | -0.890 | 13.543 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 96 | TYR | 0 | 0.032 | 0.019 | 14.310 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 97 | GLY | 0 | 0.005 | -0.017 | 16.543 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 98 | ASP | -1 | -0.836 | -0.909 | 19.248 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 99 | TYR | 0 | -0.043 | -0.037 | 20.468 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 100 | TYR | 0 | 0.022 | 0.013 | 16.337 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 100 | PHE | 0 | 0.024 | -0.008 | 16.662 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 101 | ASP | -1 | -0.769 | -0.871 | 12.508 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 102 | TYR | 0 | -0.043 | -0.020 | 8.404 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 103 | TRP | 0 | -0.003 | -0.011 | 11.832 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 104 | GLY | 0 | 0.014 | 0.012 | 11.394 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 105 | GLN | 0 | -0.053 | -0.036 | 11.919 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 106 | GLY | 0 | -0.007 | -0.003 | 13.825 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 107 | THR | 0 | -0.054 | -0.029 | 17.248 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 108 | LEU | 0 | -0.011 | -0.001 | 19.604 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 109 | VAL | 0 | 0.001 | 0.002 | 23.292 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 110 | THR | 0 | -0.008 | -0.010 | 26.104 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 111 | VAL | 0 | 0.007 | 0.006 | 29.612 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 112 | SER | 0 | -0.001 | -0.012 | 32.640 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 113 | SER | 0 | 0.012 | 0.008 | 35.698 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 114 | ALA | 0 | -0.019 | 0.009 | 37.684 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 115 | SER | 0 | 0.012 | -0.002 | 37.689 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 116 | THR | 0 | -0.039 | -0.023 | 35.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 117 | LYS | 1 | 0.833 | 0.922 | 37.987 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 118 | GLY | 0 | 0.062 | 0.038 | 39.109 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 119 | PRO | 0 | -0.047 | -0.022 | 38.587 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 120 | SER | 0 | -0.001 | -0.001 | 41.231 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 121 | VAL | 0 | -0.017 | -0.004 | 42.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 122 | PHE | 0 | 0.025 | 0.002 | 44.801 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 123 | PRO | 0 | 0.013 | 0.009 | 46.690 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 124 | LEU | 0 | -0.034 | -0.015 | 45.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 125 | ALA | 0 | 0.028 | 0.004 | 48.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 126 | PRO | 0 | 0.021 | 0.016 | 50.764 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 127 | SER | 0 | 0.030 | 0.013 | 52.658 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 128 | SER | 0 | 0.060 | -0.002 | 55.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 129 | LYS | 1 | 0.852 | 0.926 | 57.183 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 130 | SER | 0 | -0.042 | -0.024 | 52.454 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 131 | THR | 0 | 0.039 | 0.013 | 52.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 132 | SER | 0 | 0.025 | 0.034 | 54.891 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 133 | GLY | 0 | -0.003 | 0.000 | 56.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 134 | GLY | 0 | 0.029 | -0.001 | 54.213 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 135 | THR | 0 | -0.039 | -0.011 | 48.875 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 136 | ALA | 0 | 0.011 | 0.017 | 50.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 137 | ALA | 0 | -0.014 | 0.006 | 46.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 138 | LEU | 0 | -0.020 | 0.003 | 45.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 139 | GLY | 0 | 0.056 | 0.010 | 44.283 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 196 | CYS | 0 | -0.092 | -0.010 | 41.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 141 | LEU | 0 | 0.015 | 0.019 | 42.519 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 142 | VAL | 0 | -0.001 | -0.002 | 38.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 143 | LYS | 1 | 0.895 | 0.946 | 40.631 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 144 | ASP | -1 | -0.821 | -0.907 | 42.159 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 145 | TYR | 0 | 0.031 | 0.017 | 34.391 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 146 | PHE | 0 | 0.052 | 0.029 | 34.249 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 147 | PRO | 0 | 0.036 | 0.026 | 31.589 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 148 | GLU | -1 | -0.835 | -0.910 | 30.173 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 149 | PRO | 0 | -0.014 | -0.010 | 27.469 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 150 | VAL | 0 | -0.014 | -0.024 | 30.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 151 | THR | 0 | -0.028 | -0.006 | 29.971 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 152 | VAL | 0 | 0.010 | -0.005 | 32.792 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 153 | SER | 0 | -0.038 | -0.008 | 34.883 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 154 | TRP | 0 | 0.063 | 0.024 | 36.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 155 | ASN | 0 | 0.009 | 0.001 | 39.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 156 | SER | 0 | -0.003 | -0.014 | 38.552 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 157 | GLY | 0 | -0.010 | 0.002 | 35.799 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 158 | ALA | 0 | -0.014 | 0.003 | 36.628 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 159 | LEU | 0 | -0.048 | -0.014 | 39.335 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 160 | THR | 0 | 0.018 | -0.007 | 34.678 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 161 | SER | 0 | -0.005 | -0.001 | 36.875 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 162 | GLY | 0 | 0.065 | 0.022 | 39.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 163 | VAL | 0 | -0.034 | -0.008 | 37.031 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 164 | HIS | 0 | 0.010 | 0.015 | 36.666 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 165 | THR | 0 | 0.021 | 0.006 | 34.372 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 166 | PHE | 0 | -0.032 | -0.006 | 34.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 167 | PRO | 0 | 0.014 | 0.004 | 32.369 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 168 | ALA | 0 | 0.002 | 0.012 | 33.268 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 169 | VAL | 0 | -0.008 | 0.000 | 34.886 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 170 | LEU | 0 | -0.008 | 0.000 | 35.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 171 | GLN | 0 | -0.023 | -0.021 | 37.936 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 172 | SER | 0 | 0.014 | -0.003 | 41.329 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 173 | SER | 0 | -0.013 | -0.007 | 43.777 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 174 | GLY | 0 | 0.028 | 0.019 | 39.731 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 175 | LEU | 0 | -0.049 | -0.012 | 38.653 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 176 | TYR | 0 | -0.022 | -0.030 | 31.794 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 177 | SER | 0 | -0.021 | -0.007 | 38.195 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 178 | LEU | 0 | -0.039 | -0.012 | 34.692 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 179 | SER | 0 | 0.035 | 0.024 | 38.754 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 180 | SER | 0 | -0.012 | -0.013 | 37.911 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 181 | VAL | 0 | 0.022 | -0.001 | 39.959 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 182 | VAL | 0 | 0.016 | 0.011 | 40.679 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 183 | THR | 0 | -0.013 | 0.001 | 42.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 184 | VAL | 0 | -0.009 | 0.001 | 44.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 185 | PRO | 0 | 0.034 | 0.016 | 47.260 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 186 | SER | 0 | 0.024 | -0.007 | 50.433 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 187 | SER | 0 | -0.016 | -0.015 | 53.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 188 | SER | 0 | 0.012 | 0.003 | 50.927 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 189 | LEU | 0 | -0.047 | -0.023 | 51.361 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 190 | GLY | 0 | 0.005 | 0.009 | 53.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 191 | THR | 0 | -0.046 | -0.014 | 53.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 192 | GLN | 0 | -0.041 | -0.018 | 47.764 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 193 | THR | 0 | 0.000 | 0.012 | 48.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 194 | TYR | 0 | 0.042 | 0.017 | 45.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 195 | ILE | 0 | 0.028 | -0.002 | 44.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 197 | ASN | 0 | 0.030 | -0.003 | 38.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 198 | VAL | 0 | -0.006 | -0.007 | 37.722 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 199 | ASN | 0 | -0.025 | -0.026 | 32.356 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 200 | HIS | 0 | 0.001 | -0.018 | 34.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 201 | LYS | 1 | 0.960 | 0.973 | 27.564 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 202 | PRO | 0 | 0.011 | 0.010 | 31.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 203 | SER | 0 | 0.018 | -0.001 | 33.233 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 204 | ASN | 0 | -0.040 | -0.015 | 34.739 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 205 | THR | 0 | 0.003 | 0.027 | 36.890 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 206 | LYS | 1 | 0.931 | 0.962 | 35.955 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 207 | VAL | 0 | 0.008 | 0.003 | 39.669 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 208 | ASP | -1 | -0.843 | -0.897 | 41.692 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 209 | LYS | 1 | 0.822 | 0.886 | 43.976 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 210 | ARG | 1 | 0.844 | 0.902 | 46.041 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 211 | VAL | 0 | -0.050 | -0.025 | 46.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 212 | GLU | -1 | -0.836 | -0.893 | 49.491 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 213 | PRO | 0 | 0.012 | -0.005 | 52.789 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 214 | LYS | 1 | 0.870 | 0.918 | 55.658 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 215 | SER | 0 | 0.005 | 0.013 | 58.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 1 | GLU | -1 | -0.828 | -0.905 | 34.151 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 2 | ILE | 0 | -0.078 | -0.032 | 33.190 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 3 | VAL | 0 | 0.003 | 0.010 | 33.673 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 4 | LEU | 0 | 0.004 | -0.017 | 29.601 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 5 | THR | 0 | 0.006 | -0.002 | 33.728 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 6 | GLN | 0 | 0.001 | -0.021 | 28.944 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 7 | SER | 0 | -0.018 | 0.008 | 33.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 8 | PRO | 0 | 0.042 | 0.016 | 34.960 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 9 | GLY | 0 | 0.048 | 0.020 | 34.627 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 10 | THR | 0 | -0.012 | -0.007 | 33.826 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 11 | LEU | 0 | 0.013 | -0.001 | 32.045 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 12 | SER | 0 | 0.001 | -0.011 | 33.730 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 13 | LEU | 0 | -0.059 | -0.031 | 32.602 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 14 | SER | 0 | 0.045 | 0.000 | 34.090 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 15 | PRO | 0 | -0.006 | -0.013 | 30.617 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 16 | GLY | 0 | 0.001 | 0.006 | 30.944 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 17 | GLU | -1 | -0.842 | -0.897 | 32.400 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 18 | ARG | 1 | 0.974 | 0.989 | 32.081 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 19 | ALA | 0 | 0.016 | 0.006 | 29.965 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 20 | THR | 0 | -0.015 | -0.018 | 31.351 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 21 | LEU | 0 | 0.004 | 0.017 | 28.255 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 22 | SER | 0 | -0.009 | 0.002 | 31.716 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 88 | CYS | 0 | -0.063 | -0.018 | 24.866 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 24 | ARG | 1 | 0.834 | 0.907 | 33.013 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 25 | ALA | 0 | 0.014 | 0.008 | 34.172 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 26 | SER | 0 | -0.011 | 0.000 | 36.078 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 27 | GLN | 0 | -0.037 | -0.036 | 37.344 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 27 | SER | 0 | -0.027 | -0.021 | 36.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 28 | VAL | 0 | 0.000 | 0.001 | 30.350 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 29 | SER | 0 | 0.010 | -0.012 | 32.759 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 30 | SER | 0 | -0.008 | -0.011 | 29.674 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 31 | SER | 0 | 0.007 | 0.013 | 29.365 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 32 | TYR | 0 | -0.028 | 0.000 | 26.553 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 33 | LEU | 0 | -0.005 | -0.013 | 26.829 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 34 | ALA | 0 | -0.030 | -0.009 | 21.682 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 35 | TRP | 0 | 0.016 | -0.004 | 22.500 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 36 | TYR | 0 | 0.022 | -0.011 | 18.378 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 37 | GLN | 0 | -0.014 | -0.007 | 19.694 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 38 | GLN | 0 | 0.013 | -0.002 | 19.718 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 39 | LYS | 1 | 0.876 | 0.936 | 18.746 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 40 | PRO | 0 | 0.030 | -0.006 | 21.232 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 41 | GLY | 0 | 0.003 | 0.008 | 21.338 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 42 | GLN | 0 | -0.030 | -0.006 | 16.740 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 43 | ALA | 0 | 0.073 | 0.040 | 14.912 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 44 | PRO | 0 | -0.067 | -0.030 | 17.056 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 45 | ARG | 1 | 0.921 | 0.967 | 14.180 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 46 | LEU | 0 | -0.015 | 0.000 | 15.667 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 47 | LEU | 0 | -0.041 | -0.017 | 16.638 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 48 | ILE | 0 | -0.013 | -0.009 | 19.250 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 49 | TYR | 0 | 0.021 | 0.010 | 17.940 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 50 | GLY | 0 | 0.064 | 0.025 | 21.608 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 51 | ALA | 0 | -0.024 | -0.024 | 24.746 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 52 | SER | 0 | -0.062 | -0.027 | 25.279 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 53 | SER | 0 | -0.007 | 0.014 | 21.091 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 54 | ARG | 1 | 0.813 | 0.900 | 19.310 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 55 | ALA | 0 | 0.023 | 0.012 | 15.404 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 56 | THR | 0 | 0.027 | -0.010 | 10.498 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 57 | GLY | 0 | 0.001 | 0.007 | 12.755 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 58 | ILE | 0 | -0.081 | -0.015 | 13.698 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 59 | PRO | 0 | 0.016 | -0.004 | 16.827 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 60 | ASP | -1 | -0.778 | -0.905 | 19.628 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 61 | ARG | 1 | 0.715 | 0.854 | 21.546 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 62 | PHE | 0 | -0.001 | 0.012 | 20.880 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 63 | SER | 0 | -0.004 | -0.005 | 23.862 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 64 | GLY | 0 | 0.013 | 0.018 | 25.950 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 65 | SER | 0 | -0.016 | -0.010 | 27.382 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 66 | GLY | 0 | 0.056 | 0.018 | 30.644 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 67 | SER | 0 | 0.008 | -0.009 | 32.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 68 | GLY | 0 | 0.042 | 0.037 | 34.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 69 | THR | 0 | 0.015 | 0.004 | 35.388 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 70 | ASP | -1 | -0.842 | -0.892 | 36.177 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 71 | PHE | 0 | 0.017 | 0.016 | 30.760 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 72 | THR | 0 | -0.022 | -0.020 | 31.438 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 73 | LEU | 0 | -0.016 | 0.019 | 24.754 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 74 | THR | 0 | -0.039 | -0.039 | 28.439 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 75 | ILE | 0 | 0.005 | 0.007 | 25.666 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 76 | SER | 0 | -0.021 | -0.022 | 27.905 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 77 | ARG | 1 | 0.885 | 0.931 | 28.502 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 78 | LEU | 0 | 0.007 | 0.022 | 27.321 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 79 | GLU | -1 | -0.846 | -0.923 | 24.608 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 80 | PRO | 0 | -0.002 | -0.014 | 26.222 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 81 | GLU | -1 | -0.812 | -0.889 | 20.643 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 82 | ASP | -1 | -0.785 | -0.870 | 22.400 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 83 | PHE | 0 | 0.007 | 0.019 | 24.632 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 84 | ALA | 0 | -0.006 | 0.000 | 23.670 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 85 | VAL | 0 | -0.006 | 0.003 | 25.120 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 86 | TYR | 0 | -0.014 | -0.022 | 23.364 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 87 | TYR | 0 | -0.006 | 0.005 | 23.640 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 89 | GLN | 0 | 0.002 | -0.007 | 22.497 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 90 | GLN | 0 | 0.034 | 0.033 | 26.148 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 91 | TYR | 0 | 0.035 | 0.008 | 23.527 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 92 | GLY | 0 | 0.017 | 0.015 | 26.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 93 | SER | 0 | -0.051 | -0.028 | 29.883 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 94 | SER | 0 | -0.005 | 0.019 | 28.941 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 95 | PRO | 0 | 0.015 | -0.002 | 29.601 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 96 | ARG | 1 | 0.789 | 0.885 | 20.212 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 97 | THR | 0 | -0.029 | -0.017 | 27.596 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 98 | PHE | 0 | 0.000 | -0.016 | 22.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 99 | GLY | 0 | 0.020 | 0.024 | 28.280 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 100 | GLN | 0 | -0.040 | -0.035 | 29.633 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 101 | GLY | 0 | -0.003 | 0.006 | 29.016 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 102 | THR | 0 | -0.062 | -0.036 | 29.280 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 103 | LYS | 1 | 0.814 | 0.890 | 29.197 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 104 | VAL | 0 | -0.019 | -0.012 | 28.721 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 105 | GLU | -1 | -0.831 | -0.853 | 29.994 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 106 | ILE | 0 | 0.033 | 0.024 | 30.351 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 107 | LYS | 1 | 0.874 | 0.948 | 33.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 108 | ARG | 1 | 0.840 | 0.912 | 37.456 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 109 | THR | 0 | 0.012 | -0.001 | 39.907 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 110 | VAL | 0 | -0.004 | 0.018 | 43.306 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 111 | ALA | 0 | -0.006 | -0.006 | 43.651 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 112 | ALA | 0 | 0.033 | 0.016 | 45.598 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 113 | PRO | 0 | -0.025 | 0.005 | 45.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 114 | SER | 0 | 0.009 | 0.007 | 46.703 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 115 | VAL | 0 | -0.014 | -0.006 | 47.548 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 116 | PHE | 0 | -0.001 | -0.020 | 47.263 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 117 | ILE | 0 | -0.024 | -0.008 | 49.724 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 118 | PHE | 0 | -0.021 | -0.008 | 47.285 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 119 | PRO | 0 | 0.001 | -0.006 | 51.839 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 120 | PRO | 0 | -0.007 | 0.020 | 52.101 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 121 | SER | 0 | 0.024 | 0.013 | 51.500 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 122 | ASP | -1 | -0.760 | -0.890 | 53.387 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 123 | GLU | -1 | -0.907 | -0.946 | 50.825 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 124 | GLN | 0 | 0.018 | 0.014 | 49.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 125 | LEU | 0 | 0.004 | -0.004 | 52.298 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 126 | LYS | 1 | 0.915 | 0.966 | 55.022 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 127 | SER | 0 | -0.006 | 0.006 | 50.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 128 | GLY | 0 | 0.022 | 0.013 | 53.114 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 129 | THR | 0 | -0.041 | -0.015 | 49.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 130 | ALA | 0 | -0.010 | -0.003 | 52.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 131 | SER | 0 | -0.044 | -0.031 | 47.995 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 132 | VAL | 0 | -0.023 | 0.005 | 50.110 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 133 | VAL | 0 | 0.016 | 0.007 | 45.454 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 194 | CYS | 0 | -0.060 | -0.017 | 47.579 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 135 | LEU | 0 | -0.038 | 0.001 | 42.969 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 136 | LEU | 0 | 0.009 | 0.001 | 44.395 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 137 | ASN | 0 | -0.031 | -0.046 | 41.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 138 | ASN | 0 | 0.034 | -0.003 | 40.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 139 | PHE | 0 | -0.025 | 0.000 | 41.671 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 140 | TYR | 0 | 0.023 | -0.023 | 37.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 141 | PRO | 0 | 0.047 | 0.022 | 40.788 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 142 | ARG | 1 | 0.948 | 0.968 | 36.029 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 143 | GLU | -1 | -0.871 | -0.931 | 39.831 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 144 | ALA | 0 | -0.038 | -0.001 | 42.916 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 145 | LYS | 1 | 0.888 | 0.935 | 45.194 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 146 | VAL | 0 | 0.018 | 0.015 | 46.520 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 147 | GLN | 0 | 0.014 | 0.011 | 49.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 148 | TRP | 0 | 0.012 | -0.003 | 48.670 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 149 | LYS | 1 | 0.831 | 0.909 | 53.768 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 150 | VAL | 0 | 0.003 | 0.001 | 56.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 151 | ASP | -1 | -0.778 | -0.885 | 59.447 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 152 | ASN | 0 | -0.037 | -0.029 | 61.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 153 | ALA | 0 | 0.038 | 0.037 | 61.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 154 | LEU | 0 | -0.009 | -0.014 | 56.536 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 155 | GLN | 0 | -0.050 | -0.021 | 53.912 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 156 | SER | 0 | 0.007 | -0.008 | 51.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 157 | GLY | 0 | 0.015 | 0.015 | 49.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 158 | ASN | 0 | 0.011 | 0.003 | 49.330 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 159 | SER | 0 | -0.009 | -0.007 | 47.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 160 | GLN | 0 | -0.035 | -0.017 | 40.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 161 | GLU | -1 | -0.876 | -0.950 | 41.958 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 162 | SER | 0 | -0.016 | -0.012 | 36.912 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 163 | VAL | 0 | -0.025 | -0.012 | 36.589 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 164 | THR | 0 | -0.016 | -0.012 | 34.423 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 165 | GLU | -1 | -0.796 | -0.889 | 29.180 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 166 | GLN | 0 | -0.042 | -0.029 | 32.147 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 167 | ASP | -1 | -0.771 | -0.876 | 31.872 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 168 | SER | 0 | -0.024 | -0.017 | 29.918 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 169 | LYS | 1 | 0.793 | 0.889 | 31.640 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 170 | ASP | -1 | -0.764 | -0.847 | 34.879 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 171 | SER | 0 | 0.004 | 0.012 | 34.698 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 172 | THR | 0 | -0.103 | -0.063 | 35.982 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 173 | TYR | 0 | -0.033 | -0.049 | 34.215 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 174 | SER | 0 | 0.051 | 0.031 | 38.020 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 175 | LEU | 0 | -0.040 | -0.010 | 38.863 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 176 | SER | 0 | -0.004 | -0.008 | 41.135 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 177 | SER | 0 | 0.052 | 0.036 | 42.533 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 178 | THR | 0 | 0.002 | -0.015 | 43.720 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 179 | LEU | 0 | 0.003 | 0.022 | 46.331 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 180 | THR | 0 | -0.007 | -0.014 | 47.994 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 181 | LEU | 0 | 0.005 | 0.012 | 50.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 182 | SER | 0 | 0.064 | 0.033 | 53.388 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 183 | LYS | 1 | 0.857 | 0.894 | 55.568 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 184 | ALA | 0 | 0.039 | 0.012 | 57.858 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 185 | ASP | -1 | -0.833 | -0.910 | 58.189 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 186 | TYR | 0 | 0.046 | 0.015 | 56.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 187 | GLU | -1 | -0.843 | -0.916 | 58.941 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 188 | LYS | 1 | 0.854 | 0.935 | 62.213 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 189 | HIS | 1 | 0.810 | 0.922 | 60.309 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 190 | LYS | 1 | 0.933 | 0.965 | 63.465 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 191 | VAL | 0 | -0.006 | 0.000 | 61.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 192 | TYR | 0 | 0.008 | -0.004 | 56.230 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 193 | ALA | 0 | 0.030 | -0.003 | 56.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 195 | GLU | -1 | -0.836 | -0.912 | 53.585 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 196 | VAL | 0 | 0.040 | 0.009 | 48.720 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 197 | THR | 0 | -0.033 | -0.020 | 50.572 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 198 | HIS | 0 | 0.037 | -0.008 | 44.177 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 199 | GLN | 0 | 0.042 | 0.024 | 46.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 200 | GLY | 0 | 0.005 | -0.006 | 48.323 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 201 | LEU | 0 | -0.066 | -0.024 | 49.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 202 | SER | 0 | 0.023 | 0.012 | 52.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 203 | SER | 0 | -0.025 | -0.021 | 56.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 204 | PRO | 0 | -0.017 | -0.005 | 54.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 205 | VAL | 0 | 0.036 | 0.035 | 53.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 206 | THR | 0 | 0.009 | 0.005 | 54.168 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 207 | LYS | 1 | 0.855 | 0.938 | 53.128 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 208 | SER | 0 | 0.013 | -0.007 | 55.669 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 209 | PHE | 0 | -0.025 | -0.013 | 54.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 210 | ASN | 0 | 0.014 | 0.005 | 59.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 211 | ARG | 1 | 0.875 | 0.932 | 60.539 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 212 | GLY | 0 | -0.006 | -0.009 | 60.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 213 | GLU | -1 | -0.883 | -0.913 | 59.445 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 214 | CYS | 0 | 0.000 | 0.012 | 62.435 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | E | 334 | ASN | 0 | 0.035 | 0.024 | 59.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | E | 335 | LEU | 0 | 0.011 | -0.005 | 59.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | E | 361 | CYS | 0 | -0.042 | 0.007 | 54.445 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | E | 337 | PRO | 0 | 0.055 | 0.042 | 52.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | E | 338 | PHE | 0 | 0.021 | -0.012 | 50.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | E | 339 | GLY | 0 | 0.014 | 0.009 | 50.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | E | 340 | GLU | -1 | -0.874 | -0.941 | 49.973 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | E | 341 | VAL | 0 | -0.051 | -0.021 | 45.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | E | 342 | PHE | 0 | 0.007 | -0.016 | 46.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | E | 343 | ASN | 0 | -0.299 | -0.235 | 47.824 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | E | 344 | ALA | 0 | 0.015 | 0.031 | 45.485 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | E | 345 | THR | 0 | 0.040 | 0.000 | 45.859 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | E | 346 | ARG | 1 | 0.850 | 0.922 | 36.681 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | E | 347 | PHE | 0 | 0.056 | 0.045 | 39.521 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | E | 348 | ALA | 0 | 0.008 | 0.009 | 36.228 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | E | 349 | SER | 0 | 0.023 | -0.003 | 31.492 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | E | 350 | VAL | 0 | 0.004 | 0.019 | 30.521 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | E | 351 | TYR | 0 | 0.025 | 0.011 | 28.084 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | E | 352 | ALA | 0 | -0.047 | -0.016 | 30.115 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | E | 353 | TRP | 0 | -0.058 | 0.006 | 32.863 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | E | 354 | ASN | 0 | 0.021 | 0.015 | 35.779 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | E | 355 | ARG | 1 | 0.832 | 0.880 | 39.219 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | E | 356 | LYS | 1 | 0.860 | 0.942 | 41.821 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | E | 357 | ARG | 1 | 0.894 | 0.935 | 45.615 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | E | 358 | ILE | 0 | -0.031 | -0.015 | 47.956 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | E | 359 | SER | 0 | 0.067 | 0.017 | 51.142 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | E | 360 | ASN | 0 | -0.038 | -0.023 | 54.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | E | 362 | VAL | 0 | 0.023 | 0.017 | 58.419 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | E | 363 | ALA | 0 | 0.010 | -0.016 | 55.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | E | 364 | ASP | -1 | -0.847 | -0.907 | 57.722 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | E | 365 | TYR | 0 | 0.052 | -0.007 | 52.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | E | 366 | SER | 0 | 0.012 | 0.008 | 55.797 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | E | 367 | VAL | 0 | -0.013 | -0.012 | 56.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | E | 368 | LEU | 0 | -0.057 | -0.012 | 51.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | E | 369 | TYR | 0 | 0.008 | -0.008 | 52.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | E | 370 | ASN | 0 | -0.096 | -0.050 | 54.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | E | 371 | SER | 0 | 0.066 | 0.052 | 53.012 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | E | 372 | ALA | 0 | -0.004 | -0.004 | 53.966 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | E | 373 | SER | 0 | -0.053 | -0.031 | 51.385 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | E | 374 | PHE | 0 | -0.031 | -0.009 | 48.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | E | 375 | SER | 0 | 0.057 | 0.025 | 44.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | E | 376 | THR | 0 | -0.101 | -0.059 | 42.957 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | E | 377 | PHE | 0 | 0.074 | 0.033 | 46.019 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | E | 378 | LYS | 1 | 0.929 | 0.981 | 42.151 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | E | 432 | CYS | 0 | -0.079 | -0.019 | 46.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | E | 380 | TYR | 0 | 0.030 | 0.006 | 42.527 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | E | 381 | GLY | 0 | 0.061 | 0.030 | 47.428 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | E | 382 | VAL | 0 | -0.015 | -0.006 | 49.554 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | E | 383 | SER | 0 | -0.053 | -0.046 | 51.799 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | E | 384 | PRO | 0 | 0.018 | 0.008 | 52.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | E | 385 | THR | 0 | 0.010 | 0.002 | 54.095 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | E | 386 | LYS | 1 | 0.971 | 0.987 | 57.673 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | E | 387 | LEU | 0 | 0.037 | 0.021 | 52.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | E | 388 | ASN | 0 | -0.009 | -0.022 | 56.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | E | 389 | ASP | -1 | -0.892 | -0.936 | 59.453 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | E | 390 | LEU | 0 | -0.042 | -0.004 | 56.006 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | E | 391 | CYS | 0 | -0.035 | -0.024 | 57.619 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | E | 392 | PHE | 0 | -0.012 | -0.011 | 52.557 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | E | 393 | THR | 0 | -0.012 | -0.029 | 51.478 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | E | 394 | ASN | 0 | -0.072 | -0.052 | 49.423 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | E | 395 | VAL | 0 | 0.022 | 0.020 | 49.350 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | E | 396 | TYR | 0 | -0.080 | -0.052 | 44.308 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | E | 397 | ALA | 0 | 0.033 | 0.019 | 45.448 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | E | 398 | ASP | -1 | -0.728 | -0.803 | 39.707 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | E | 399 | SER | 0 | 0.005 | -0.009 | 40.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | E | 400 | PHE | 0 | -0.035 | -0.020 | 35.777 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | E | 401 | VAL | 0 | 0.005 | 0.007 | 35.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | E | 402 | ILE | 0 | -0.015 | 0.000 | 33.025 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | E | 403 | ARG | 1 | 0.831 | 0.898 | 28.694 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | E | 404 | GLY | 0 | 0.052 | 0.031 | 35.053 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | E | 405 | ASP | -1 | -0.848 | -0.926 | 33.301 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | E | 406 | GLU | -1 | -0.852 | -0.912 | 29.838 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | E | 407 | VAL | 0 | 0.026 | 0.018 | 34.125 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | E | 408 | ARG | 1 | 0.832 | 0.915 | 34.298 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | E | 409 | GLN | 0 | 0.030 | 0.004 | 30.112 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | E | 410 | ILE | 0 | -0.024 | 0.003 | 35.059 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | E | 411 | ALA | 0 | 0.006 | -0.017 | 37.411 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | E | 412 | PRO | 0 | 0.043 | 0.038 | 37.563 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | E | 413 | GLY | 0 | 0.042 | 0.021 | 36.139 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | E | 414 | GLN | 0 | -0.096 | -0.014 | 34.352 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | E | 415 | THR | 0 | -0.007 | -0.008 | 28.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | E | 416 | GLY | 0 | 0.015 | -0.002 | 27.767 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | E | 417 | LYS | 1 | 0.819 | 0.916 | 22.844 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | E | 418 | ILE | 0 | -0.017 | 0.010 | 26.723 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | E | 419 | ALA | 0 | 0.040 | 0.023 | 29.960 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | E | 420 | ASP | -1 | -0.784 | -0.878 | 26.578 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | E | 421 | TYR | 0 | -0.042 | -0.017 | 20.922 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | E | 422 | ASN | 0 | -0.033 | -0.017 | 26.598 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | E | 423 | TYR | 0 | 0.013 | -0.043 | 29.624 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | E | 424 | LYS | 1 | 0.896 | 0.980 | 30.953 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | E | 425 | LEU | 0 | 0.003 | 0.011 | 33.952 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | E | 426 | PRO | 0 | -0.015 | -0.005 | 36.578 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | E | 427 | ASP | -1 | -0.855 | -0.962 | 36.921 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | E | 428 | ASP | -1 | -0.949 | -0.968 | 39.817 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | E | 429 | PHE | 0 | -0.060 | -0.027 | 41.631 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | E | 430 | THR | 0 | 0.024 | 0.019 | 43.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | E | 431 | GLY | 0 | 0.023 | -0.002 | 46.337 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | E | 433 | VAL | 0 | -0.016 | 0.000 | 41.162 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | E | 434 | ILE | 0 | -0.008 | 0.003 | 44.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | E | 435 | ALA | 0 | 0.006 | -0.008 | 41.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | E | 436 | TRP | 0 | -0.006 | -0.002 | 43.718 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | E | 437 | ASN | 0 | -0.012 | 0.002 | 42.488 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | E | 438 | SER | 0 | 0.018 | -0.020 | 41.377 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | E | 439 | ASN | 0 | 0.035 | 0.024 | 40.812 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | E | 440 | ASN | 0 | 0.001 | -0.005 | 42.452 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | E | 441 | LEU | 0 | -0.025 | -0.001 | 43.770 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | E | 442 | ASP | -1 | -0.759 | -0.805 | 38.727 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | E | 443 | SER | 0 | 0.011 | -0.012 | 38.221 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | E | 444 | LYS | 1 | 0.897 | 0.953 | 37.665 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | E | 445 | VAL | 0 | 0.037 | 0.011 | 38.612 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | E | 446 | GLY | 0 | 0.034 | 0.026 | 36.334 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | E | 447 | GLY | 0 | 0.002 | 0.012 | 34.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | E | 448 | ASN | 0 | -0.087 | -0.059 | 35.227 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | E | 449 | TYR | 0 | 0.040 | 0.008 | 29.512 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | E | 450 | ASN | 0 | -0.055 | -0.030 | 31.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | E | 451 | TYR | 0 | -0.047 | -0.038 | 32.858 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | E | 452 | LEU | 0 | 0.006 | -0.003 | 27.427 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | E | 453 | TYR | -1 | -0.724 | -0.846 | 24.519 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | E | 454 | ARG | 1 | 0.809 | 0.877 | 22.898 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | E | 455 | LEU | 0 | -0.020 | 0.010 | 19.618 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | E | 456 | PHE | 0 | -0.001 | 0.000 | 15.920 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | E | 457 | ARG | 1 | 0.774 | 0.863 | 19.562 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | E | 458 | LYS | 1 | 0.879 | 0.944 | 14.845 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | E | 459 | SER | 0 | -0.007 | -0.008 | 19.462 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | E | 460 | ASN | 0 | 0.044 | 0.010 | 22.831 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | E | 461 | LEU | 0 | -0.085 | -0.011 | 26.092 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | E | 462 | LYS | 1 | 0.910 | 0.950 | 28.756 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | E | 463 | PRO | 0 | 0.031 | -0.004 | 32.093 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | E | 464 | PHE | 0 | -0.021 | -0.010 | 35.440 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | E | 465 | GLU | -1 | -0.802 | -0.880 | 28.647 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | E | 466 | ARG | 1 | 0.860 | 0.904 | 32.312 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | E | 467 | ASP | -1 | -0.786 | -0.871 | 25.670 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | E | 468 | ILE | 0 | 0.015 | 0.008 | 28.415 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | E | 469 | SER | 0 | 0.022 | 0.020 | 23.820 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | E | 470 | THR | 0 | -0.010 | -0.015 | 23.539 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | E | 471 | GLU | -1 | -0.934 | -0.952 | 18.981 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | E | 472 | ILE | 0 | -0.038 | -0.017 | 14.761 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | E | 473 | TYR | 0 | -0.036 | -0.041 | 14.687 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | E | 474 | GLN | 0 | 0.013 | -0.011 | 9.549 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | E | 475 | ALA | 0 | -0.016 | -0.006 | 10.662 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | E | 476 | GLY | 0 | 0.015 | 0.004 | 7.007 | -0.394 | -0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | E | 477 | SER | 0 | -0.042 | -0.032 | 3.972 | -0.508 | -0.370 | 0.000 | -0.023 | -0.114 | 0.000 |
573 | E | 478 | THR | 0 | -0.013 | 0.002 | 4.467 | 0.169 | 0.313 | -0.001 | -0.006 | -0.137 | 0.000 |
574 | E | 479 | PRO | 0 | 0.026 | 0.014 | 7.124 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | E | 488 | CYS | 0 | 0.039 | 0.039 | 9.038 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | E | 481 | ASN | 0 | -0.038 | -0.018 | 11.862 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | E | 482 | GLY | 0 | 0.030 | 0.023 | 15.394 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | E | 483 | VAL | 0 | -0.041 | -0.014 | 13.597 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | E | 484 | GLU | -1 | -0.837 | -0.926 | 13.722 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | E | 485 | GLY | 0 | 0.008 | -0.012 | 11.213 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | E | 486 | PHE | 0 | -0.053 | -0.027 | 3.614 | -0.300 | -0.095 | 0.003 | -0.033 | -0.176 | 0.000 |
582 | E | 487 | ASN | 0 | -0.032 | -0.027 | 5.479 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | E | 489 | TYR | 0 | 0.060 | 0.043 | 10.802 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | E | 490 | PHE | 0 | 0.069 | 0.028 | 15.172 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | E | 491 | PRO | 0 | -0.048 | -0.012 | 18.907 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | E | 492 | LEU | 0 | -0.053 | -0.023 | 20.289 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | E | 493 | GLN | 0 | 0.014 | 0.011 | 22.537 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | E | 494 | SER | 0 | -0.022 | -0.030 | 24.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | E | 495 | TYR | 0 | -0.006 | -0.021 | 27.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | E | 496 | GLY | 0 | 0.040 | 0.022 | 29.806 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | E | 497 | PHE | 0 | -0.025 | -0.012 | 31.458 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | E | 498 | GLN | 0 | 0.055 | 0.011 | 32.352 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | E | 499 | PRO | 0 | -0.004 | 0.003 | 36.816 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | E | 500 | THR | 0 | 0.003 | -0.004 | 37.842 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | E | 501 | ASN | 0 | 0.010 | 0.024 | 33.999 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | E | 502 | GLY | 0 | 0.050 | 0.024 | 36.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | E | 503 | VAL | 0 | 0.016 | -0.008 | 37.837 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | E | 504 | GLY | 0 | 0.040 | 0.036 | 36.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | E | 505 | TYR | 0 | -0.038 | -0.036 | 29.263 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | E | 506 | GLN | 0 | -0.017 | -0.003 | 35.040 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | E | 507 | PRO | 0 | -0.004 | 0.000 | 37.084 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | E | 508 | TYR | 0 | 0.004 | -0.002 | 37.977 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | E | 509 | ARG | 1 | 0.776 | 0.882 | 38.862 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | E | 510 | VAL | 0 | -0.007 | -0.011 | 38.430 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | E | 511 | VAL | 0 | 0.003 | -0.014 | 41.247 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | E | 512 | VAL | 0 | -0.031 | -0.009 | 39.932 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | E | 513 | LEU | 0 | -0.007 | 0.007 | 43.245 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | E | 514 | SER | 0 | 0.019 | 0.002 | 43.387 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | E | 515 | PHE | 0 | 0.006 | -0.003 | 45.766 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | E | 516 | GLU | -1 | -0.738 | -0.807 | 47.941 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | E | 517 | LEU | 0 | -0.006 | 0.002 | 49.657 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | E | 601 | NAG | 0 | 0.268 | 0.226 | 52.524 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |