FMODB ID: 8JVMY
Calculation Name: 6YVA-AC-Xray142
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 6YVA
Chain ID: AC
UniProt ID: Q64339
Base Structure: X-ray
Registration Date: 2020-06-22
Reference: Y.Handa, K. Kato, Y. Kawashima, K. Fukuzawa et.al., FMO calculation for SARS Cov-2 related proteins. To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSideSolv |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | All crystal waters in PDB. |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 433 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -7853870.210264 |
---|---|
FMO2-HF: Nuclear repulsion | 7680180.960854 |
FMO2-HF: Total energy | -173689.249409 |
FMO2-MP2: Total energy | -174189.630544 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"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. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:4:THR )
Summations of interaction energy for
fragment #1(A:4:THR )
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. |
-0.82800000000001 | 6.412 | 6.416 | -5.591 | -8.066 | -0.023 |
Interaction energy analysis for fragmet #1(A:4:THR )
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 | 6 | LYS | 1 | 0.931 | 0.967 | 2.451 | 41.493 | 45.866 | 0.718 | -2.327 | -2.764 | 0.017 |
4 | A | 7 | VAL | 0 | -0.045 | 0.000 | 6.058 | 1.736 | 1.736 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 8 | PHE | 0 | 0.047 | 0.024 | 9.090 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 9 | THR | 0 | -0.044 | -0.014 | 11.742 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 10 | THR | 0 | 0.016 | 0.001 | 14.335 | 0.727 | 0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 11 | VAL | 0 | 0.049 | 0.023 | 18.117 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 12 | ASP | -1 | -0.766 | -0.891 | 21.410 | -12.248 | -12.248 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 13 | ASN | 0 | -0.115 | -0.061 | 20.373 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 14 | ILE | 0 | -0.035 | -0.001 | 21.743 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 15 | ASN | 0 | -0.038 | -0.017 | 21.300 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 16 | LEU | 0 | -0.054 | -0.023 | 16.332 | -0.513 | -0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 17 | HIS | 0 | -0.002 | -0.010 | 15.090 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 18 | THR | 0 | -0.039 | -0.018 | 9.588 | -0.631 | -0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 19 | GLN | 0 | 0.024 | 0.020 | 8.945 | 0.537 | 0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 20 | VAL | 0 | -0.016 | -0.028 | 3.070 | -4.066 | -3.508 | 0.069 | -0.174 | -0.453 | -0.001 |
18 | A | 21 | VAL | 0 | 0.013 | 0.024 | 3.864 | 2.404 | 2.688 | -0.001 | -0.080 | -0.203 | 0.000 |
19 | A | 22 | ASP | -1 | -0.838 | -0.960 | 2.108 | -62.827 | -60.968 | 5.547 | -4.035 | -3.371 | -0.033 |
20 | A | 23 | MET | 0 | 0.027 | 0.063 | 3.034 | -2.488 | -2.486 | 0.083 | 1.080 | -1.166 | -0.006 |
21 | A | 24 | SER | 0 | -0.028 | -0.034 | 5.431 | 4.740 | 4.740 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 25 | MET | 0 | 0.062 | 0.044 | 7.179 | 3.183 | 3.183 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 26 | THR | 0 | -0.092 | -0.068 | 9.258 | 2.601 | 2.601 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 27 | TYR | 0 | 0.024 | 0.006 | 10.311 | -2.824 | -2.824 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 28 | GLY | 0 | 0.026 | 0.003 | 12.808 | 1.157 | 1.157 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 29 | GLN | 0 | 0.005 | 0.005 | 15.055 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 30 | GLN | 0 | -0.065 | -0.024 | 8.919 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 31 | PHE | 0 | 0.008 | 0.011 | 8.752 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 32 | GLY | 0 | 0.021 | 0.022 | 13.360 | 1.133 | 1.133 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 33 | PRO | 0 | 0.000 | -0.013 | 15.716 | -0.934 | -0.934 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 34 | THR | 0 | 0.005 | -0.006 | 13.177 | -0.554 | -0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 35 | TYR | 0 | -0.023 | -0.012 | 16.465 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 36 | LEU | 0 | -0.012 | -0.015 | 14.187 | -0.861 | -0.861 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 37 | ASP | -1 | -0.908 | -0.960 | 17.440 | -15.027 | -15.027 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 38 | GLY | 0 | 0.036 | 0.015 | 20.751 | 0.732 | 0.732 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 39 | ALA | 0 | -0.034 | -0.010 | 19.606 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 40 | ASP | -1 | -0.751 | -0.853 | 18.770 | -16.589 | -16.589 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 41 | VAL | 0 | -0.070 | -0.041 | 14.166 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 42 | THR | 0 | 0.051 | 0.014 | 14.254 | -1.354 | -1.354 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 43 | LYS | 1 | 0.795 | 0.890 | 15.027 | 14.974 | 14.974 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 44 | ILE | 0 | -0.024 | -0.011 | 12.502 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 45 | LYS | 1 | 0.877 | 0.952 | 9.764 | 26.642 | 26.642 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 46 | PRO | 0 | -0.014 | 0.008 | 6.049 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 47 | HIS | 0 | 0.036 | 0.011 | 7.038 | -4.169 | -4.169 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 48 | ASN | 0 | -0.002 | -0.056 | 3.742 | -6.155 | -5.991 | 0.000 | -0.055 | -0.109 | 0.000 |
46 | A | 49 | SER | 0 | -0.001 | 0.024 | 7.288 | 1.296 | 1.296 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 50 | HIS | 1 | 0.820 | 0.921 | 9.426 | 29.548 | 29.548 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 51 | GLU | -1 | -0.829 | -0.932 | 7.293 | -38.708 | -38.708 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 52 | GLY | 0 | 0.127 | 0.073 | 9.716 | 2.566 | 2.566 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 53 | LYS | 1 | 0.852 | 0.922 | 11.707 | 20.500 | 20.500 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 54 | THR | 0 | 0.049 | 0.027 | 12.506 | -1.518 | -1.518 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 55 | PHE | 0 | -0.054 | -0.035 | 9.770 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 56 | TYR | 0 | 0.040 | 0.019 | 15.054 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 57 | VAL | 0 | -0.003 | -0.001 | 14.484 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 58 | LEU | 0 | 0.004 | 0.006 | 17.755 | 0.719 | 0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 59 | PRO | 0 | 0.035 | -0.002 | 19.826 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 60 | ASN | 0 | -0.008 | 0.011 | 16.902 | 1.074 | 1.074 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 61 | ASP | -1 | -0.804 | -0.905 | 19.520 | -13.951 | -13.951 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 62 | ASP | -1 | -0.857 | -0.924 | 21.540 | -11.287 | -11.287 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 63 | THR | 0 | 0.046 | 0.016 | 21.102 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 64 | LEU | 0 | 0.003 | 0.007 | 17.453 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 65 | ARG | 1 | 0.766 | 0.857 | 22.072 | 12.232 | 12.232 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 66 | VAL | 0 | -0.035 | -0.013 | 25.369 | 0.449 | 0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 67 | GLU | -1 | -0.792 | -0.885 | 21.630 | -13.252 | -13.252 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 68 | ALA | 0 | 0.004 | 0.005 | 25.285 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 69 | PHE | 0 | 0.008 | 0.011 | 26.785 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 70 | GLU | -1 | -0.779 | -0.876 | 29.170 | -9.005 | -9.005 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 71 | TYR | 0 | -0.039 | -0.034 | 27.307 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 72 | TYR | 0 | -0.072 | -0.072 | 24.752 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 73 | HIS | 0 | -0.069 | -0.016 | 30.977 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 74 | THR | 0 | -0.002 | 0.001 | 30.170 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 75 | THR | 0 | -0.003 | -0.020 | 31.519 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 76 | ASP | -1 | -0.763 | -0.844 | 31.167 | -9.779 | -9.779 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 77 | PRO | 0 | 0.005 | 0.000 | 26.940 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 78 | SER | 0 | -0.083 | -0.062 | 26.422 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 79 | PHE | 0 | 0.045 | 0.033 | 28.212 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 80 | LEU | 0 | 0.074 | 0.027 | 22.317 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 81 | GLY | 0 | 0.028 | 0.028 | 24.470 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 82 | ARG | 1 | 0.843 | 0.936 | 25.415 | 9.479 | 9.479 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 83 | TYR | 0 | 0.020 | 0.006 | 25.865 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 84 | MET | 0 | -0.027 | -0.022 | 22.309 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 85 | SER | 0 | -0.068 | -0.052 | 25.053 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 86 | ALA | 0 | -0.011 | 0.001 | 26.770 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 87 | LEU | 0 | -0.004 | -0.004 | 24.475 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 88 | ASN | 0 | -0.015 | 0.003 | 23.501 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 89 | HIS | 0 | 0.015 | 0.012 | 25.846 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 90 | THR | 0 | 0.049 | 0.014 | 29.339 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 91 | LYS | 1 | 0.890 | 0.971 | 24.915 | 11.632 | 11.632 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 92 | LYS | 1 | 0.816 | 0.899 | 26.206 | 11.520 | 11.520 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 93 | TRP | 0 | -0.066 | -0.021 | 29.665 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 94 | LYS | 1 | 0.956 | 0.976 | 32.760 | 8.211 | 8.211 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 95 | TYR | 0 | 0.028 | -0.014 | 32.404 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 96 | PRO | 0 | -0.041 | -0.003 | 37.254 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 97 | GLN | 0 | 0.046 | 0.000 | 39.303 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 98 | VAL | 0 | -0.001 | -0.009 | 42.319 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 99 | ASN | 0 | 0.006 | 0.000 | 46.052 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 100 | GLY | 0 | 0.023 | 0.009 | 44.972 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 101 | LEU | 0 | -0.021 | 0.005 | 44.574 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 102 | THR | 0 | 0.007 | 0.024 | 38.042 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 103 | SER | 0 | 0.036 | 0.018 | 41.487 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 104 | ILE | 0 | 0.029 | 0.004 | 37.036 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 105 | LYS | 1 | 0.884 | 0.948 | 38.733 | 7.615 | 7.615 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 106 | TRP | 0 | -0.050 | -0.033 | 38.998 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 107 | ALA | 0 | 0.001 | -0.019 | 36.528 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 108 | ASP | -1 | -0.873 | -0.931 | 34.370 | -9.230 | -9.230 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 109 | ASN | 0 | -0.027 | -0.013 | 37.727 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 110 | ASN | 0 | 0.030 | 0.024 | 37.155 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 111 | SER | 0 | 0.014 | -0.023 | 40.180 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 112 | TYR | 0 | -0.010 | -0.011 | 39.694 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 113 | LEU | 0 | 0.011 | 0.011 | 36.851 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 114 | ALA | 0 | 0.021 | 0.012 | 40.911 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 115 | THR | 0 | 0.018 | 0.006 | 42.181 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 116 | ALA | 0 | 0.026 | 0.023 | 42.346 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 117 | LEU | 0 | 0.006 | 0.001 | 38.376 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 118 | LEU | 0 | -0.029 | -0.022 | 41.885 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 119 | THR | 0 | -0.015 | -0.015 | 44.908 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 120 | LEU | 0 | -0.016 | -0.016 | 41.052 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 121 | GLN | 0 | -0.076 | -0.032 | 41.998 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 122 | GLN | 0 | -0.002 | 0.031 | 44.557 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 123 | ILE | 0 | -0.049 | -0.012 | 46.957 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 124 | GLU | -1 | -0.853 | -0.906 | 46.419 | -6.940 | -6.940 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 125 | LEU | 0 | -0.004 | -0.009 | 43.656 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 126 | LYS | 1 | 0.816 | 0.895 | 42.448 | 6.928 | 6.928 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 127 | PHE | 0 | -0.009 | -0.017 | 38.300 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 128 | ASN | 0 | 0.012 | 0.007 | 39.086 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 129 | PRO | 0 | 0.033 | 0.024 | 33.840 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 130 | PRO | 0 | 0.025 | 0.001 | 31.447 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 131 | ALA | 0 | 0.027 | 0.034 | 29.813 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 132 | LEU | 0 | -0.025 | -0.018 | 31.291 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 133 | GLN | 0 | 0.025 | 0.004 | 34.575 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 134 | ASP | -1 | -0.830 | -0.894 | 31.022 | -9.693 | -9.693 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 135 | ALA | 0 | -0.060 | -0.036 | 31.227 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 136 | TYR | 0 | 0.024 | 0.014 | 32.698 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 137 | TYR | 0 | 0.019 | 0.010 | 34.942 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 138 | ARG | 1 | 0.896 | 0.934 | 26.424 | 11.211 | 11.211 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 139 | ALA | 0 | 0.006 | 0.009 | 34.049 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 140 | ARG | 1 | 0.816 | 0.900 | 36.443 | 7.636 | 7.636 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 141 | ALA | 0 | -0.016 | 0.000 | 35.362 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 142 | GLY | 0 | -0.018 | -0.003 | 36.629 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 143 | GLU | -1 | -0.878 | -0.928 | 28.595 | -10.986 | -10.986 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 144 | ALA | 0 | 0.062 | 0.013 | 32.727 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 145 | ALA | 0 | -0.002 | 0.017 | 29.699 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 146 | ASN | 0 | -0.001 | -0.022 | 26.200 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 147 | PHE | 0 | 0.042 | 0.028 | 30.174 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 148 | CYS | 0 | -0.012 | -0.012 | 33.734 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 149 | ALA | 0 | -0.003 | 0.009 | 29.676 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 150 | LEU | 0 | 0.023 | 0.012 | 29.590 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 151 | ILE | 0 | 0.004 | 0.011 | 32.422 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 152 | LEU | 0 | -0.029 | -0.011 | 33.532 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 153 | ALA | 0 | 0.006 | 0.005 | 30.947 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 154 | TYR | 0 | -0.045 | -0.056 | 32.926 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 155 | CYS | 0 | -0.092 | -0.030 | 35.643 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 156 | ASN | 0 | -0.070 | -0.056 | 35.217 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 157 | LYS | 1 | 0.818 | 0.924 | 35.848 | 7.657 | 7.657 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 158 | THR | 0 | -0.025 | -0.020 | 32.452 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 159 | VAL | 0 | -0.023 | -0.022 | 31.934 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 160 | GLY | 0 | 0.021 | 0.013 | 34.782 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 161 | GLU | -1 | -0.843 | -0.900 | 37.460 | -8.084 | -8.084 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 162 | LEU | 0 | -0.031 | -0.008 | 39.999 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 163 | GLY | 0 | -0.016 | -0.006 | 43.378 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 164 | ASP | -1 | -0.836 | -0.922 | 44.250 | -6.320 | -6.320 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 165 | VAL | 0 | 0.069 | 0.026 | 45.766 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 166 | ARG | 1 | 0.886 | 0.918 | 46.356 | 5.940 | 5.940 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 167 | GLU | -1 | -0.835 | -0.921 | 44.321 | -7.195 | -7.195 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 168 | THR | 0 | 0.008 | -0.010 | 40.990 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 169 | MET | 0 | -0.020 | -0.011 | 42.865 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 170 | SER | 0 | -0.035 | -0.001 | 45.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 171 | TYR | 0 | 0.052 | 0.008 | 40.583 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 172 | LEU | 0 | -0.004 | -0.006 | 38.553 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 173 | PHE | 0 | -0.019 | -0.030 | 41.731 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 174 | GLN | 0 | -0.004 | -0.003 | 42.436 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 175 | HIS | 0 | -0.002 | 0.015 | 36.810 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 176 | ALA | 0 | 0.015 | 0.008 | 40.314 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 177 | ASN | 0 | -0.017 | 0.002 | 43.029 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 178 | LEU | 0 | 0.001 | -0.020 | 45.390 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 179 | ASP | -1 | -0.896 | -0.952 | 48.546 | -6.172 | -6.172 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 180 | SER | 0 | 0.022 | 0.012 | 50.323 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 181 | CYS | 0 | -0.040 | 0.005 | 51.587 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 182 | LYS | 1 | 0.824 | 0.897 | 54.304 | 5.477 | 5.477 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 183 | ARG | 1 | 0.904 | 0.969 | 57.254 | 5.553 | 5.553 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 184 | VAL | 0 | 0.002 | 0.002 | 60.033 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 199 | LEU | 1 | 0.790 | 0.881 | 57.210 | 5.381 | 5.381 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 200 | LYS | 1 | 0.993 | 0.993 | 52.282 | 6.039 | 6.039 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 201 | GLY | 0 | 0.029 | 0.039 | 51.017 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 202 | VAL | 0 | 0.066 | 0.026 | 47.213 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 203 | GLU | -1 | -0.914 | -0.967 | 50.432 | -5.714 | -5.714 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 204 | ALA | 0 | -0.090 | -0.034 | 53.859 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 205 | VAL | 0 | 0.051 | 0.028 | 50.731 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 206 | MET | 0 | 0.011 | 0.024 | 49.872 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 207 | TYR | 0 | -0.017 | -0.001 | 54.120 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 208 | MET | 0 | -0.068 | -0.005 | 55.975 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 209 | GLY | 0 | 0.001 | -0.016 | 57.724 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 210 | THR | 0 | -0.024 | 0.006 | 61.160 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 211 | LEU | 0 | 0.086 | 0.045 | 58.314 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 212 | SER | 0 | 0.010 | 0.026 | 60.651 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 213 | TYR | 0 | 0.037 | -0.031 | 60.861 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 214 | GLU | -1 | -0.816 | -0.900 | 62.812 | -4.604 | -4.604 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 215 | GLN | 0 | -0.094 | -0.056 | 65.872 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 216 | PHE | 0 | -0.015 | -0.021 | 60.759 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 217 | LYS | 1 | 0.884 | 0.937 | 65.306 | 4.736 | 4.736 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 218 | LYS | 1 | 0.813 | 0.923 | 67.672 | 4.623 | 4.623 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 219 | GLY | 0 | 0.033 | 0.012 | 67.432 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 233 | TYR | 1 | 0.842 | 0.893 | 67.324 | 4.693 | 4.693 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 234 | LEU | 0 | 0.053 | 0.074 | 62.986 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 235 | VAL | 0 | 0.024 | 0.022 | 66.022 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 236 | GLN | 0 | -0.004 | -0.014 | 62.332 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 237 | GLN | 0 | 0.001 | -0.022 | 57.111 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 238 | GLU | -1 | -0.821 | -0.890 | 58.512 | -5.352 | -5.352 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 239 | SER | 0 | 0.010 | -0.020 | 54.187 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 240 | PRO | 0 | 0.085 | 0.051 | 50.987 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 241 | PHE | 0 | -0.038 | -0.025 | 48.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 242 | VAL | 0 | 0.028 | 0.027 | 53.944 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 243 | MET | 0 | -0.012 | 0.000 | 50.316 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 244 | MET | 0 | -0.058 | -0.006 | 54.442 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 245 | SER | 0 | -0.014 | -0.010 | 54.105 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 246 | ALA | 0 | 0.025 | -0.010 | 56.226 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 247 | PRO | 0 | -0.017 | -0.009 | 56.956 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 248 | PRO | 0 | 0.006 | 0.004 | 55.313 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 249 | ALA | 0 | -0.001 | 0.007 | 58.114 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 250 | GLN | 0 | 0.005 | -0.003 | 61.063 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 251 | TYR | 0 | 0.024 | 0.010 | 60.840 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 252 | GLU | -1 | -0.879 | -0.928 | 62.371 | -4.782 | -4.782 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 253 | LEU | 0 | -0.012 | 0.004 | 57.707 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 254 | LYS | 1 | 0.878 | 0.915 | 62.234 | 4.831 | 4.831 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 255 | HIS | 0 | 0.053 | 0.027 | 59.773 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 256 | GLY | 0 | -0.005 | 0.007 | 60.849 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 257 | THR | 0 | -0.075 | -0.043 | 62.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 258 | PHE | 0 | -0.028 | -0.010 | 55.937 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 259 | THR | 0 | -0.013 | 0.001 | 52.706 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 260 | CYS | 0 | -0.031 | -0.017 | 51.207 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 261 | ALA | 0 | -0.009 | -0.002 | 53.217 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 262 | SER | 0 | -0.011 | -0.015 | 50.737 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 263 | GLU | -1 | -0.860 | -0.923 | 52.006 | -5.662 | -5.662 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 264 | TYR | 0 | -0.054 | -0.043 | 49.700 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 265 | THR | 0 | 0.120 | 0.035 | 52.136 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 266 | GLY | 0 | -0.048 | -0.009 | 53.216 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 267 | ASN | 0 | -0.057 | -0.030 | 54.352 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 268 | TYR | 0 | 0.050 | 0.022 | 54.602 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 269 | GLN | 0 | -0.021 | -0.009 | 56.078 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 270 | CYS | 0 | -0.035 | -0.011 | 51.094 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 271 | GLY | 0 | 0.070 | 0.018 | 49.012 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 272 | HIS | 0 | -0.016 | 0.022 | 47.723 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 273 | TYR | 0 | -0.021 | -0.020 | 46.933 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 274 | LYS | 1 | 0.860 | 0.930 | 47.982 | 5.997 | 5.997 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 275 | HIS | 0 | 0.049 | 0.026 | 48.108 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 276 | ILE | 0 | 0.006 | 0.018 | 50.182 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 277 | THR | 0 | -0.022 | -0.057 | 51.165 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 278 | SER | 0 | 0.041 | 0.018 | 53.498 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 279 | LYS | 1 | 0.909 | 0.977 | 49.585 | 6.459 | 6.459 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 280 | GLU | -1 | -0.755 | -0.805 | 55.729 | -5.717 | -5.717 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 281 | THR | 0 | -0.050 | -0.072 | 57.578 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 282 | LEU | 0 | -0.022 | 0.003 | 57.180 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 283 | TYR | 0 | -0.092 | -0.066 | 52.730 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 284 | CYS | 0 | -0.009 | 0.007 | 52.976 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 285 | ILE | 0 | -0.039 | -0.034 | 46.346 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 286 | ASP | -1 | -0.806 | -0.894 | 48.155 | -6.526 | -6.526 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 287 | GLY | 0 | 0.073 | 0.030 | 43.826 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 288 | ALA | 0 | -0.022 | -0.026 | 42.484 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 289 | LEU | 0 | -0.055 | -0.008 | 44.467 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 290 | LEU | 0 | -0.004 | -0.002 | 48.184 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 291 | THR | 0 | -0.004 | 0.005 | 50.707 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 292 | LYS | 1 | 0.839 | 0.912 | 54.459 | 5.635 | 5.635 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 293 | SER | 0 | -0.001 | -0.008 | 57.092 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 294 | SER | 0 | 0.039 | 0.025 | 60.226 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 295 | GLU | -1 | -0.921 | -0.964 | 63.181 | -4.765 | -4.765 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 296 | TYR | 0 | -0.001 | -0.043 | 56.365 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 297 | LYS | 1 | 0.863 | 0.930 | 61.686 | 4.855 | 4.855 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 298 | GLY | 0 | 0.030 | 0.019 | 59.605 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 299 | PRO | 0 | 0.009 | 0.010 | 57.137 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 300 | ILE | 0 | -0.001 | 0.006 | 56.572 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 301 | THR | 0 | -0.021 | -0.020 | 52.925 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 302 | ASP | -1 | -0.825 | -0.912 | 51.413 | -6.153 | -6.153 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 303 | VAL | 0 | -0.043 | -0.016 | 54.441 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 304 | PHE | 0 | 0.016 | -0.008 | 49.638 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 305 | TYR | 0 | 0.041 | -0.022 | 54.472 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 306 | LYS | 1 | 0.866 | 0.938 | 51.469 | 5.993 | 5.993 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 307 | GLU | -1 | -0.854 | -0.902 | 55.991 | -5.198 | -5.198 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 308 | ASN | -1 | -0.926 | -0.947 | 56.518 | -5.516 | -5.516 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 1 | MET | 1 | 0.821 | 0.896 | 29.366 | 9.097 | 9.097 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 2 | ALA | 0 | 0.106 | 0.045 | 28.981 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 3 | TRP | 0 | -0.045 | -0.024 | 30.679 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | C | 4 | ASP | -1 | -0.814 | -0.883 | 29.113 | -10.375 | -10.375 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | C | 5 | LEU | 0 | -0.001 | -0.005 | 32.140 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | C | 6 | LYS | 1 | 0.916 | 0.963 | 35.485 | 7.915 | 7.915 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | C | 7 | VAL | 0 | -0.021 | -0.013 | 37.070 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | C | 8 | LYS | 1 | 0.891 | 0.941 | 39.238 | 7.178 | 7.178 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | C | 9 | MET | 0 | -0.003 | -0.004 | 42.012 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | C | 10 | LEU | 0 | 0.006 | 0.008 | 44.781 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | C | 11 | GLY | 0 | 0.027 | 0.018 | 45.012 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | C | 12 | GLY | 0 | 0.005 | 0.003 | 43.231 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | C | 13 | ASN | 0 | -0.023 | -0.029 | 39.184 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | C | 14 | ASP | -1 | -0.838 | -0.909 | 38.133 | -7.726 | -7.726 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | C | 15 | PHE | 0 | 0.001 | 0.015 | 34.506 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | C | 16 | LEU | 0 | 0.041 | 0.020 | 30.369 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | C | 17 | VAL | 0 | -0.069 | -0.036 | 31.732 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | C | 18 | SER | 0 | 0.059 | 0.016 | 28.642 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | C | 19 | VAL | 0 | -0.030 | -0.015 | 30.585 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | C | 20 | THR | 0 | 0.034 | -0.013 | 31.033 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | C | 21 | ASN | 0 | 0.014 | 0.011 | 33.728 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | C | 22 | SER | 0 | -0.014 | -0.016 | 34.675 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | C | 23 | MET | 0 | 0.004 | 0.029 | 32.511 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | C | 24 | THR | 0 | 0.006 | -0.001 | 37.257 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | C | 25 | VAL | 0 | 0.049 | 0.025 | 39.418 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | C | 26 | SER | 0 | -0.006 | -0.015 | 41.059 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | C | 27 | GLU | -1 | -0.843 | -0.910 | 36.233 | -8.260 | -8.260 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | C | 28 | LEU | 0 | 0.055 | 0.037 | 36.293 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | C | 29 | LYS | 1 | 0.861 | 0.922 | 37.134 | 6.787 | 6.787 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | C | 30 | LYS | 1 | 0.891 | 0.933 | 36.286 | 7.844 | 7.844 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | C | 31 | GLN | 0 | -0.047 | -0.006 | 30.383 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | C | 32 | ILE | 0 | -0.012 | -0.021 | 33.719 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | C | 33 | ALA | 0 | -0.004 | -0.012 | 36.184 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | C | 34 | GLN | 0 | -0.032 | 0.007 | 28.658 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | C | 35 | LYS | 1 | 0.886 | 0.932 | 29.802 | 9.669 | 9.669 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | C | 36 | ILE | 0 | -0.061 | -0.010 | 33.127 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | C | 37 | GLY | 0 | 0.026 | 0.018 | 36.806 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | C | 38 | VAL | 0 | -0.058 | -0.013 | 37.917 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | C | 39 | PRO | 0 | 0.059 | 0.013 | 40.122 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | C | 40 | ALA | 0 | 0.058 | 0.016 | 39.916 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | C | 41 | PHE | 0 | 0.018 | 0.014 | 41.794 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | C | 42 | GLN | 0 | -0.026 | -0.018 | 44.968 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | C | 43 | GLN | 0 | -0.027 | -0.001 | 39.235 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | C | 44 | ARG | 1 | 0.880 | 0.929 | 44.831 | 6.442 | 6.442 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | C | 45 | LEU | 0 | 0.027 | 0.028 | 41.078 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | C | 46 | ALA | 0 | 0.014 | 0.001 | 45.414 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | C | 47 | HIS | 0 | 0.061 | 0.021 | 44.278 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | C | 48 | GLN | 0 | -0.033 | -0.006 | 46.790 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | C | 49 | THR | 0 | -0.040 | -0.016 | 49.429 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | C | 50 | ALA | 0 | 0.065 | 0.034 | 50.250 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | C | 51 | VAL | 0 | -0.034 | -0.015 | 49.337 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | C | 52 | LEU | 0 | -0.010 | 0.004 | 43.852 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | C | 53 | GLN | 0 | -0.023 | -0.025 | 47.472 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | C | 54 | ASP | -1 | -0.800 | -0.899 | 44.784 | -6.984 | -6.984 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | C | 55 | GLY | 0 | 0.057 | 0.024 | 44.094 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | C | 56 | LEU | 0 | -0.027 | -0.003 | 44.336 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | C | 57 | THR | 0 | 0.015 | 0.012 | 40.141 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | C | 58 | LEU | 0 | 0.028 | 0.020 | 37.332 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | C | 59 | SER | 0 | -0.045 | -0.036 | 40.242 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | C | 60 | SER | 0 | -0.033 | -0.018 | 41.761 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | C | 61 | LEU | 0 | -0.045 | -0.024 | 43.820 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | C | 62 | GLY | 0 | -0.010 | 0.019 | 44.049 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | C | 63 | LEU | 0 | -0.062 | -0.028 | 40.588 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | C | 64 | GLY | 0 | 0.043 | 0.011 | 38.503 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | C | 65 | PRO | 0 | 0.044 | 0.012 | 34.409 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | C | 66 | SER | 0 | -0.068 | -0.020 | 36.419 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | C | 67 | SER | 0 | -0.019 | -0.010 | 39.082 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | C | 68 | THR | 0 | -0.031 | -0.013 | 39.621 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | C | 69 | VAL | 0 | -0.002 | 0.008 | 40.341 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | C | 70 | MET | 0 | 0.004 | -0.004 | 42.550 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | C | 71 | LEU | 0 | -0.012 | -0.013 | 40.912 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | C | 72 | VAL | 0 | -0.007 | -0.013 | 44.545 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | C | 73 | VAL | 0 | 0.000 | -0.006 | 43.973 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | C | 74 | GLN | 0 | -0.004 | -0.009 | 46.847 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | C | 75 | ASN | 0 | -0.038 | -0.021 | 47.383 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | C | 76 | CYS | 0 | -0.011 | -0.002 | 50.402 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | C | 77 | SER | 0 | -0.023 | -0.013 | 50.999 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | C | 78 | GLU | -1 | -0.892 | -0.944 | 52.854 | -5.412 | -5.412 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | C | 79 | PRO | 0 | -0.041 | -0.004 | 55.361 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | C | 80 | LEU | 0 | -0.013 | -0.015 | 53.748 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | C | 81 | SER | 0 | 0.003 | 0.004 | 57.431 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | C | 82 | ILE | 0 | -0.059 | -0.027 | 55.217 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | C | 83 | LEU | 0 | 0.043 | 0.018 | 58.727 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | C | 84 | VAL | 0 | 0.072 | 0.061 | 55.616 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | C | 85 | ARG | 1 | 0.896 | 0.941 | 58.001 | 5.367 | 5.367 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | C | 86 | ASN | 0 | -0.004 | -0.009 | 58.207 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | C | 87 | GLU | -1 | -0.683 | -0.805 | 55.547 | -5.761 | -5.761 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | C | 88 | ARG | 1 | 0.893 | 0.939 | 59.142 | 5.334 | 5.334 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | C | 89 | GLY | 0 | 0.007 | 0.008 | 62.032 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | C | 90 | HIS | 0 | -0.008 | 0.009 | 63.210 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | C | 91 | SER | 0 | 0.021 | 0.001 | 62.264 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | C | 92 | ASN | 0 | -0.037 | 0.000 | 60.597 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | C | 93 | ILE | 0 | 0.065 | 0.037 | 61.360 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | C | 94 | TYR | 0 | -0.017 | -0.022 | 57.010 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | C | 95 | GLU | -1 | -0.872 | -0.923 | 58.131 | -5.289 | -5.289 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | C | 96 | VAL | 0 | -0.051 | -0.029 | 52.840 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | C | 97 | PHE | 0 | 0.090 | 0.041 | 51.445 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | C | 98 | LEU | 0 | 0.037 | 0.018 | 49.293 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | C | 99 | THR | 0 | 0.026 | -0.003 | 46.576 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | C | 100 | GLN | 0 | 0.020 | 0.017 | 46.094 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | C | 101 | THR | 0 | 0.071 | 0.028 | 42.645 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | C | 102 | VAL | 0 | 0.065 | 0.039 | 45.006 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | C | 103 | ASP | -1 | -0.838 | -0.882 | 43.946 | -6.940 | -6.940 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | C | 104 | THR | 0 | -0.029 | -0.033 | 46.019 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | C | 105 | LEU | 0 | -0.027 | -0.008 | 48.774 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | C | 106 | LYS | 1 | 0.895 | 0.933 | 45.193 | 7.040 | 7.040 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | C | 107 | LYS | 1 | 0.847 | 0.899 | 46.132 | 6.895 | 6.895 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | C | 108 | LYS | 1 | 0.852 | 0.938 | 51.600 | 6.011 | 6.011 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | C | 109 | VAL | 0 | 0.007 | -0.009 | 53.461 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | C | 110 | SER | 0 | -0.082 | -0.045 | 52.867 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | C | 111 | GLN | 0 | 0.031 | 0.000 | 53.617 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | C | 112 | ARG | 1 | 0.813 | 0.919 | 57.132 | 5.301 | 5.301 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | C | 113 | GLU | -1 | -0.883 | -0.966 | 58.751 | -5.213 | -5.213 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | C | 114 | GLN | 0 | -0.042 | -0.011 | 58.154 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | C | 115 | VAL | 0 | -0.019 | 0.013 | 54.076 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | C | 116 | HIS | 0 | 0.079 | 0.042 | 51.219 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | C | 117 | GLU | -1 | -0.810 | -0.911 | 47.996 | -6.653 | -6.653 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | C | 118 | ASP | -1 | -0.955 | -0.969 | 46.011 | -6.789 | -6.789 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | C | 119 | GLN | 0 | 0.002 | -0.005 | 47.790 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | C | 120 | PHE | 0 | -0.080 | -0.045 | 49.764 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | C | 121 | TRP | 0 | 0.007 | 0.014 | 47.438 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | C | 122 | LEU | 0 | 0.034 | 0.001 | 48.445 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | C | 123 | SER | 0 | 0.000 | 0.007 | 48.436 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | C | 124 | PHE | 0 | 0.020 | -0.007 | 49.627 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | C | 125 | GLU | -1 | -0.919 | -0.955 | 50.226 | -6.051 | -6.051 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | C | 126 | GLY | 0 | 0.009 | 0.002 | 51.017 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | C | 127 | ARG | 1 | 0.883 | 0.962 | 43.984 | 6.805 | 6.805 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | C | 128 | PRO | 0 | -0.028 | -0.026 | 43.992 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | C | 129 | MET | 0 | -0.051 | -0.023 | 44.711 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | C | 130 | GLU | -1 | -0.842 | -0.901 | 38.487 | -8.058 | -8.058 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | C | 131 | ASP | -1 | -0.830 | -0.912 | 40.996 | -7.193 | -7.193 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | C | 132 | LYS | 1 | 0.819 | 0.870 | 38.386 | 7.722 | 7.722 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | C | 133 | GLU | -1 | -0.832 | -0.886 | 39.759 | -7.774 | -7.774 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | C | 134 | LEU | 0 | -0.024 | -0.022 | 41.289 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | C | 135 | LEU | 0 | 0.056 | 0.019 | 44.101 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | C | 136 | GLY | 0 | -0.004 | -0.012 | 46.993 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | C | 137 | GLU | -1 | -0.897 | -0.945 | 41.306 | -7.347 | -7.347 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | C | 138 | TYR | 0 | -0.063 | -0.047 | 42.241 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | C | 139 | GLY | 0 | -0.028 | 0.004 | 47.322 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | C | 140 | LEU | 0 | -0.004 | -0.007 | 50.017 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | C | 141 | LYS | 1 | 0.972 | 0.985 | 52.575 | 5.806 | 5.806 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | C | 142 | PRO | 0 | 0.066 | 0.004 | 55.958 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | C | 143 | GLN | 0 | -0.017 | 0.003 | 58.936 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | C | 144 | CYS | 0 | -0.056 | 0.009 | 55.892 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | C | 145 | THR | 0 | 0.003 | -0.018 | 57.676 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | C | 146 | VAL | 0 | -0.010 | -0.009 | 52.544 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | C | 147 | ILE | 0 | -0.035 | -0.020 | 54.114 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | C | 148 | LYS | 1 | 0.911 | 0.970 | 53.314 | 5.484 | 5.484 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | C | 149 | HIS | 1 | 0.808 | 0.886 | 51.115 | 6.135 | 6.135 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | C | 150 | LEU | 0 | 0.019 | 0.002 | 52.364 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | C | 151 | ARG | 1 | 0.843 | 0.943 | 43.561 | 6.966 | 6.966 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | C | 152 | LEU | 0 | -0.023 | 0.004 | 50.035 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | C | 153 | ARG | 1 | 0.902 | 0.945 | 47.313 | 6.046 | 6.046 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | C | 154 | GLY | 0 | 0.021 | 0.017 | 45.934 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | C | 155 | GLY | -1 | -0.777 | -0.855 | 44.413 | -7.230 | -7.230 | 0.000 | 0.000 | 0.000 | 0.000 |