FMODB ID: JQ5Z9
Calculation Name: 1SQG-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1SQG
Chain ID: A
UniProt ID: P36929
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 424 |
LigandCharge | DGL=-1,DAS=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7616520.646593 |
---|---|
FMO2-HF: Nuclear repulsion | 7449135.170507 |
FMO2-HF: Total energy | -167385.476086 |
FMO2-MP2: Total energy | -167874.461781 |
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:5:ARG)
Summations of interaction energy for
fragment #1(A:5:ARG)
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. |
-13.438 | -11.623 | 20.367 | -7.372 | -14.809 | -0.062 |
Interaction energy analysis for fragmet #1(A:5:ARG)
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 | 7 | LEU | 0 | 0.058 | 0.012 | 2.744 | -1.861 | 1.388 | 0.134 | -1.379 | -2.004 | 0.004 |
4 | A | 8 | ARG | 1 | 0.862 | 0.919 | 4.694 | 29.939 | 30.071 | -0.001 | -0.007 | -0.123 | 0.000 |
5 | A | 9 | SER | 0 | -0.027 | -0.014 | 5.630 | 1.543 | 1.543 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 10 | MET | 0 | -0.045 | -0.011 | 2.997 | -4.721 | -5.316 | 4.383 | -0.929 | -2.860 | -0.011 |
7 | A | 11 | ALA | 0 | 0.045 | 0.014 | 6.705 | 2.108 | 2.108 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 12 | ALA | 0 | -0.023 | -0.003 | 9.494 | 1.869 | 1.869 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 13 | GLN | 0 | -0.010 | -0.020 | 7.781 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 14 | ALA | 0 | 0.031 | 0.023 | 10.203 | 1.287 | 1.287 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 15 | VAL | 0 | 0.007 | -0.004 | 11.953 | 1.379 | 1.379 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 16 | GLU | -1 | -0.802 | -0.882 | 14.606 | -16.086 | -16.086 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 17 | GLN | 0 | -0.057 | -0.036 | 12.321 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 18 | VAL | 0 | -0.026 | -0.002 | 16.016 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 19 | VAL | 0 | -0.040 | -0.029 | 18.293 | 0.766 | 0.766 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 20 | GLU | -1 | -0.792 | -0.851 | 19.654 | -12.437 | -12.437 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 21 | GLN | 0 | -0.096 | -0.050 | 17.051 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 22 | GLY | 0 | 0.021 | 0.033 | 20.782 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 23 | GLN | 0 | -0.023 | -0.012 | 15.015 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 24 | SER | 0 | 0.066 | 0.024 | 18.812 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 25 | LEU | 0 | 0.062 | 0.022 | 13.434 | -1.020 | -1.020 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 26 | SER | 0 | -0.036 | -0.021 | 14.644 | -1.341 | -1.341 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 27 | ASN | 0 | 0.002 | -0.006 | 16.053 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 28 | ILE | 0 | -0.025 | -0.004 | 10.266 | -1.122 | -1.122 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 29 | LEU | 0 | 0.030 | 0.008 | 9.682 | -2.363 | -2.363 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 30 | PRO | 0 | -0.027 | 0.008 | 9.376 | -3.391 | -3.391 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 31 | PRO | 0 | 0.075 | 0.029 | 9.542 | -2.619 | -2.619 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 32 | LEU | 0 | -0.052 | -0.023 | 5.396 | -5.133 | -5.133 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 33 | GLN | 0 | 0.057 | 0.008 | 4.874 | -6.226 | -6.143 | -0.001 | -0.002 | -0.080 | 0.000 |
30 | A | 34 | GLN | 0 | -0.006 | 0.001 | 6.765 | -2.976 | -2.976 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 35 | LYS | 1 | 0.874 | 0.953 | 2.877 | 39.010 | 40.602 | 1.017 | -0.632 | -1.977 | 0.002 |
32 | A | 36 | VAL | 0 | -0.057 | -0.025 | 1.824 | -34.236 | -36.896 | 14.768 | -4.619 | -7.488 | -0.057 |
33 | A | 37 | SER | 0 | 0.008 | -0.015 | 3.263 | 11.115 | 11.129 | 0.067 | 0.196 | -0.277 | 0.000 |
34 | A | 38 | ASP | -1 | -0.758 | -0.882 | 6.018 | -26.591 | -26.591 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 39 | LYS | 1 | 0.960 | 0.975 | 9.513 | 22.678 | 22.678 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 40 | ASP | -1 | -0.827 | -0.894 | 5.021 | -46.031 | -46.031 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 41 | LYS | 1 | 0.842 | 0.916 | 7.067 | 31.445 | 31.445 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 42 | ALA | 0 | 0.046 | 0.030 | 8.221 | 1.729 | 1.729 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 43 | LEU | 0 | 0.004 | 0.007 | 8.831 | 1.546 | 1.546 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 44 | LEU | 0 | -0.012 | -0.009 | 5.470 | 1.180 | 1.180 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 45 | GLN | 0 | 0.007 | -0.011 | 8.673 | 2.229 | 2.229 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 46 | GLU | -1 | -0.769 | -0.857 | 11.907 | -15.234 | -15.234 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 47 | LEU | 0 | -0.049 | -0.027 | 9.016 | 1.335 | 1.335 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 48 | CYS | 0 | -0.053 | -0.012 | 10.456 | 0.836 | 0.836 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 49 | PHE | 0 | 0.018 | -0.006 | 13.329 | 1.092 | 1.092 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 50 | GLY | 0 | 0.029 | 0.011 | 15.902 | 1.157 | 1.157 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 51 | VAL | 0 | 0.003 | 0.004 | 14.755 | 0.994 | 0.994 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 52 | LEU | 0 | 0.005 | 0.001 | 16.676 | 0.875 | 0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 53 | ARG | 1 | 0.915 | 0.982 | 18.741 | 15.597 | 15.597 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 54 | THR | 0 | 0.015 | -0.018 | 20.129 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 55 | LEU | 0 | 0.034 | 0.036 | 19.670 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 56 | SER | 0 | 0.030 | 0.013 | 22.255 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 57 | GLN | 0 | 0.031 | 0.038 | 24.364 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 58 | LEU | 0 | -0.043 | -0.021 | 18.631 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 59 | ASP | -1 | -0.821 | -0.935 | 22.729 | -11.656 | -11.656 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 60 | TRP | 0 | -0.007 | 0.014 | 24.525 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 61 | LEU | 0 | -0.004 | -0.007 | 24.017 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 62 | ILE | 0 | -0.005 | -0.011 | 20.918 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 63 | ASN | 0 | -0.085 | -0.056 | 25.037 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 64 | LYS | 1 | 0.781 | 0.898 | 28.548 | 9.342 | 9.342 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 65 | LEU | 0 | -0.051 | -0.001 | 24.538 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 66 | MET | 0 | -0.070 | -0.028 | 22.793 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 67 | ALA | 0 | 0.044 | 0.028 | 27.610 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 68 | ARG | 1 | 0.914 | 0.947 | 28.345 | 9.172 | 9.172 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 69 | PRO | 0 | 0.078 | 0.045 | 24.476 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 70 | MET | 0 | -0.022 | -0.001 | 20.063 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 71 | THR | 0 | 0.064 | 0.019 | 22.151 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 72 | GLY | 0 | 0.048 | 0.025 | 22.596 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 73 | LYS | 1 | 0.977 | 0.979 | 20.534 | 11.009 | 11.009 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 74 | GLN | 0 | 0.009 | 0.008 | 18.530 | -1.084 | -1.084 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 75 | ARG | 1 | 0.836 | 0.922 | 18.663 | 12.774 | 12.774 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 76 | THR | 0 | 0.022 | -0.021 | 12.186 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 77 | VAL | 0 | -0.056 | -0.040 | 14.744 | -0.679 | -0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 78 | HIS | 0 | 0.000 | 0.018 | 16.229 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 79 | TYR | 0 | 0.018 | -0.034 | 15.041 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 80 | LEU | 0 | -0.032 | -0.013 | 10.696 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 81 | ILE | 0 | -0.022 | -0.018 | 13.979 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 82 | MET | 0 | 0.017 | 0.023 | 17.250 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 83 | VAL | 0 | 0.034 | 0.020 | 10.940 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 84 | GLY | 0 | -0.031 | -0.006 | 14.445 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 85 | LEU | 0 | -0.003 | -0.013 | 15.718 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 86 | TYR | 0 | -0.008 | -0.015 | 15.362 | 0.550 | 0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 87 | GLN | 0 | -0.043 | -0.019 | 12.499 | -0.876 | -0.876 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 88 | LEU | 0 | -0.035 | -0.012 | 16.543 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 89 | LEU | 0 | -0.032 | -0.003 | 19.895 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 90 | TYR | 0 | -0.027 | -0.028 | 19.337 | 0.529 | 0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 91 | THR | 0 | -0.070 | -0.032 | 15.390 | -0.785 | -0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 92 | ARG | 1 | 0.988 | 0.982 | 18.728 | 13.310 | 13.310 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 93 | ILE | 0 | -0.028 | -0.002 | 12.859 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 94 | PRO | 0 | 0.036 | 0.015 | 16.248 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 95 | PRO | 0 | 0.100 | 0.043 | 17.205 | -0.805 | -0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 96 | HIS | 0 | 0.041 | 0.020 | 17.531 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 97 | ALA | 0 | 0.006 | 0.009 | 13.706 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 98 | ALA | 0 | 0.025 | 0.016 | 13.192 | -1.288 | -1.288 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 99 | LEU | 0 | 0.004 | 0.002 | 13.940 | -0.769 | -0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 100 | ALA | 0 | -0.015 | -0.002 | 12.962 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 101 | GLU | -1 | -0.846 | -0.918 | 7.482 | -32.302 | -32.302 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 102 | THR | 0 | 0.005 | -0.015 | 9.541 | -1.774 | -1.774 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 103 | VAL | 0 | -0.039 | -0.016 | 11.726 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 104 | GLU | -1 | -0.820 | -0.888 | 8.199 | -19.889 | -19.889 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 105 | GLY | 0 | 0.029 | 0.018 | 7.643 | -1.186 | -1.186 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 106 | ALA | 0 | 0.011 | -0.009 | 8.725 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 107 | ILE | 0 | -0.023 | -0.014 | 6.309 | 0.673 | 0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 108 | ALA | 0 | 0.008 | 0.007 | 5.253 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 109 | ILE | 0 | -0.012 | 0.010 | 7.354 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 110 | LYS | 1 | 0.849 | 0.918 | 8.633 | 26.357 | 26.357 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 111 | ARG | 1 | 0.853 | 0.928 | 12.442 | 17.494 | 17.494 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 112 | PRO | 0 | 0.079 | 0.041 | 12.573 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 113 | GLN | 0 | 0.047 | 0.010 | 14.035 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 114 | LEU | 0 | -0.008 | -0.015 | 16.469 | 0.722 | 0.722 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 115 | LYS | 1 | 0.857 | 0.927 | 12.171 | 18.359 | 18.359 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 116 | GLY | 0 | 0.016 | 0.006 | 16.193 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 117 | LEU | 0 | 0.022 | 0.016 | 19.781 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 118 | ILE | 0 | 0.013 | 0.010 | 14.241 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 119 | ASN | 0 | 0.027 | 0.003 | 17.912 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 120 | GLY | 0 | 0.002 | 0.007 | 19.053 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 121 | VAL | 0 | -0.011 | -0.013 | 21.230 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 122 | LEU | 0 | 0.029 | 0.013 | 16.727 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 123 | ARG | 1 | 0.902 | 0.953 | 21.293 | 12.154 | 12.154 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 124 | GLN | 0 | -0.048 | -0.012 | 23.623 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 125 | PHE | 0 | 0.066 | 0.014 | 22.932 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 126 | GLN | 0 | -0.002 | -0.014 | 21.684 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 127 | ARG | 1 | 0.852 | 0.931 | 25.816 | 10.265 | 10.265 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 128 | GLN | 0 | 0.028 | 0.009 | 28.694 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 129 | GLN | 0 | -0.025 | 0.008 | 25.086 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 130 | GLU | -1 | -0.945 | -0.972 | 28.612 | -8.666 | -8.666 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 131 | GLU | -1 | -0.822 | -0.925 | 31.864 | -8.944 | -8.944 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 132 | LEU | 0 | -0.024 | -0.017 | 28.292 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 133 | LEU | 0 | -0.015 | -0.007 | 27.861 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 134 | ALA | 0 | 0.016 | 0.017 | 30.699 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 135 | GLU | -1 | -0.794 | -0.888 | 33.849 | -8.552 | -8.552 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 136 | PHE | 0 | 0.019 | 0.017 | 28.306 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 137 | ASN | 0 | -0.046 | -0.036 | 30.674 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 138 | ALA | 0 | 0.000 | 0.016 | 33.704 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 139 | SER | 0 | -0.052 | -0.029 | 32.958 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 140 | ASP | -1 | -0.817 | -0.919 | 34.544 | -8.281 | -8.281 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 141 | ALA | 0 | -0.033 | -0.016 | 29.694 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 142 | ARG | 1 | 0.883 | 0.932 | 29.664 | 8.000 | 8.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 143 | TYR | 0 | 0.022 | 0.004 | 30.403 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 144 | LEU | 0 | -0.045 | 0.001 | 25.131 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 145 | HIS | 0 | 0.008 | 0.006 | 27.299 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 146 | PRO | 0 | 0.012 | 0.025 | 28.035 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 147 | SER | 0 | 0.030 | -0.002 | 30.365 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 148 | TRP | 0 | 0.025 | 0.008 | 30.004 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 149 | LEU | 0 | 0.029 | 0.025 | 30.263 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 150 | LEU | 0 | 0.014 | 0.013 | 33.664 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 151 | LYS | 1 | 0.898 | 0.938 | 35.105 | 7.861 | 7.861 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 152 | ARG | 1 | 0.851 | 0.888 | 36.261 | 8.363 | 8.363 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 153 | LEU | 0 | 0.030 | 0.014 | 33.541 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 154 | GLN | 0 | -0.002 | 0.005 | 38.135 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 155 | LYS | 1 | 0.893 | 0.961 | 40.641 | 7.410 | 7.410 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 156 | ALA | 0 | -0.047 | -0.020 | 40.515 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 157 | TYR | 0 | -0.026 | -0.031 | 38.763 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 158 | PRO | 0 | -0.002 | -0.010 | 42.206 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 159 | GLU | -1 | -0.912 | -0.953 | 44.533 | -6.731 | -6.731 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 160 | GLN | 0 | 0.032 | 0.013 | 40.630 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 161 | TRP | 0 | 0.021 | 0.032 | 36.833 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 162 | GLN | 0 | 0.029 | 0.006 | 36.767 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 163 | SER | 0 | -0.008 | -0.014 | 35.720 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 164 | ILE | 0 | 0.027 | 0.024 | 34.274 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 165 | VAL | 0 | -0.048 | -0.027 | 32.085 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 166 | GLU | -1 | -0.901 | -0.945 | 30.867 | -9.978 | -9.978 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 167 | ALA | 0 | 0.074 | 0.042 | 30.568 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 168 | ASN | 0 | -0.086 | -0.061 | 28.852 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 169 | ASN | 0 | -0.064 | -0.051 | 26.408 | -0.794 | -0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 170 | GLN | 0 | -0.060 | -0.024 | 25.877 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 171 | ARG | 1 | 0.815 | 0.890 | 19.544 | 13.847 | 13.847 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 172 | PRO | 0 | 0.012 | 0.007 | 22.710 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 173 | PRO | 0 | 0.056 | 0.048 | 25.063 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 174 | MET | 0 | -0.003 | 0.012 | 21.713 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 175 | TRP | 0 | -0.038 | -0.018 | 26.410 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 176 | LEU | 0 | -0.017 | -0.014 | 26.512 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 177 | ARG | 1 | 0.767 | 0.839 | 30.156 | 9.831 | 9.831 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 178 | ILE | 0 | -0.034 | -0.025 | 32.459 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 179 | ASN | 0 | 0.044 | 0.055 | 34.164 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 180 | ARG | 1 | 0.887 | 0.901 | 35.855 | 7.853 | 7.853 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 181 | THR | 0 | -0.103 | -0.068 | 38.053 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 182 | HIS | 0 | -0.035 | 0.001 | 34.827 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 183 | HIS | 0 | 0.028 | 0.012 | 35.565 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 184 | SER | 0 | 0.030 | 0.021 | 39.075 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 185 | ARG | 1 | 0.900 | 0.915 | 37.278 | 7.722 | 7.722 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 186 | ASP | -1 | -0.835 | -0.912 | 37.897 | -7.828 | -7.828 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 187 | SER | 0 | -0.021 | 0.003 | 39.339 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 188 | TRP | 0 | 0.040 | 0.001 | 29.325 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 189 | LEU | 0 | -0.026 | -0.021 | 34.501 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 190 | ALA | 0 | 0.003 | 0.012 | 35.525 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 191 | LEU | 0 | 0.010 | 0.012 | 33.601 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 192 | LEU | 0 | -0.075 | -0.032 | 28.990 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 193 | ASP | -1 | -0.938 | -0.972 | 31.636 | -9.007 | -9.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 194 | GLU | -1 | -0.962 | -0.969 | 33.753 | -8.810 | -8.810 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 195 | ALA | 0 | -0.080 | -0.035 | 28.847 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 196 | GLY | 0 | -0.048 | -0.016 | 28.847 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 197 | MET | 0 | -0.114 | -0.055 | 26.226 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 198 | LYS | 1 | 0.920 | 0.961 | 29.789 | 9.405 | 9.405 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 199 | GLY | 0 | 0.025 | -0.002 | 30.988 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 200 | PHE | 0 | -0.056 | -0.031 | 33.114 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 201 | PRO | 0 | 0.029 | 0.026 | 35.539 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 202 | HIS | 0 | -0.013 | -0.031 | 37.112 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 203 | ALA | 0 | -0.018 | -0.010 | 39.241 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 204 | ASP | -1 | -0.902 | -0.947 | 40.901 | -7.248 | -7.248 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 205 | TYR | 0 | -0.069 | -0.036 | 37.657 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 206 | PRO | 0 | 0.025 | 0.004 | 38.951 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 207 | ASP | -1 | -0.811 | -0.865 | 37.098 | -8.105 | -8.105 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 208 | ALA | 0 | -0.014 | 0.008 | 34.662 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 209 | VAL | 0 | 0.000 | -0.002 | 31.924 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 210 | ARG | 1 | 0.836 | 0.922 | 30.743 | 8.971 | 8.971 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 211 | LEU | 0 | 0.015 | -0.001 | 25.779 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 212 | GLU | -1 | -0.857 | -0.920 | 29.216 | -9.781 | -9.781 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 213 | THR | 0 | -0.070 | -0.045 | 23.659 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 214 | PRO | 0 | -0.029 | -0.021 | 21.624 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 215 | ALA | 0 | 0.045 | 0.027 | 21.493 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 216 | PRO | 0 | -0.019 | -0.021 | 17.499 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 217 | VAL | 0 | 0.053 | 0.005 | 19.497 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 218 | HIS | 0 | -0.020 | -0.010 | 16.142 | 1.030 | 1.030 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 219 | ALA | 0 | 0.003 | 0.013 | 21.330 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 220 | LEU | 0 | -0.037 | -0.010 | 23.159 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 221 | PRO | 0 | 0.054 | 0.018 | 26.112 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 222 | GLY | 0 | 0.132 | 0.063 | 28.621 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 223 | PHE | 0 | -0.032 | -0.009 | 22.747 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 224 | GLU | -1 | -0.940 | -0.988 | 24.475 | -12.382 | -12.382 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 225 | ASP | -1 | -0.897 | -0.936 | 26.527 | -10.198 | -10.198 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 226 | GLY | 0 | -0.025 | -0.022 | 29.357 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 227 | TRP | 0 | -0.003 | -0.011 | 30.851 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 228 | VAL | 0 | 0.004 | 0.024 | 28.039 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 229 | THR | 0 | 0.021 | 0.027 | 28.007 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 230 | VAL | 0 | -0.003 | 0.009 | 23.742 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 231 | GLN | 0 | 0.000 | -0.005 | 26.940 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 232 | ASP | -1 | -0.735 | -0.844 | 28.553 | -9.986 | -9.986 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 233 | ALA | 0 | 0.071 | 0.028 | 29.993 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 234 | SER | 0 | 0.000 | -0.006 | 33.226 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 235 | ALA | 0 | 0.006 | 0.019 | 32.035 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 236 | GLN | 0 | -0.021 | -0.025 | 32.143 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 237 | GLY | 0 | 0.022 | 0.014 | 35.657 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 238 | CYS | 0 | -0.068 | -0.028 | 36.284 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 239 | MET | 0 | -0.009 | 0.018 | 37.717 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 240 | THR | 0 | 0.001 | 0.008 | 40.953 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 241 | TRP | 0 | -0.002 | 0.006 | 41.625 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 242 | LEU | 0 | -0.021 | -0.013 | 40.746 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 243 | ALA | 0 | -0.043 | -0.020 | 43.946 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 244 | PRO | 0 | 0.006 | 0.005 | 42.148 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 245 | GLN | 0 | 0.015 | -0.001 | 45.375 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 246 | ASN | 0 | -0.010 | -0.021 | 46.797 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 247 | GLY | 0 | -0.002 | -0.014 | 47.469 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 248 | GLU | -1 | -0.821 | -0.875 | 47.164 | -6.617 | -6.617 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 249 | HIS | 0 | -0.026 | -0.006 | 45.794 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 250 | ILE | 0 | -0.015 | -0.003 | 41.471 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 251 | LEU | 0 | 0.000 | 0.002 | 39.468 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 252 | ASP | -1 | -0.790 | -0.888 | 35.144 | -9.014 | -9.014 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 253 | LEU | 0 | 0.008 | -0.022 | 36.328 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 254 | CYS | 0 | -0.047 | -0.011 | 32.501 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 255 | ALA | 0 | 0.055 | 0.031 | 32.349 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 256 | ALA | 0 | -0.037 | 0.021 | 26.778 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 257 | PRO | 0 | -0.057 | -0.060 | 24.976 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 258 | GLY | 0 | 0.054 | 0.011 | 27.018 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 259 | GLY | 0 | -0.026 | -0.007 | 29.673 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 260 | LYS | 1 | 0.840 | 0.899 | 30.770 | 9.796 | 9.796 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 261 | THR | 0 | -0.012 | -0.030 | 33.518 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 262 | THR | 0 | 0.007 | 0.008 | 31.987 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 263 | HIS | 0 | -0.027 | -0.004 | 34.877 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 264 | ILE | 0 | 0.033 | -0.008 | 36.536 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 265 | LEU | 0 | -0.013 | -0.007 | 37.095 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 266 | GLU | -1 | -0.819 | -0.878 | 34.675 | -9.087 | -9.087 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 267 | VAL | 0 | -0.096 | -0.049 | 39.325 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 268 | ALA | 0 | -0.019 | -0.012 | 42.249 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 269 | PRO | 0 | 0.005 | 0.002 | 41.895 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 270 | GLU | -1 | -0.903 | -0.942 | 42.962 | -6.633 | -6.633 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 271 | ALA | 0 | 0.020 | 0.042 | 42.959 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 272 | GLN | 0 | -0.067 | -0.036 | 43.062 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 273 | VAL | 0 | 0.010 | 0.002 | 38.491 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 274 | VAL | 0 | -0.071 | -0.029 | 39.155 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 275 | ALA | 0 | 0.021 | 0.011 | 34.094 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 276 | VAL | 0 | 0.008 | -0.006 | 34.780 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 277 | ASP | -1 | -0.833 | -0.927 | 29.938 | -10.610 | -10.610 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 278 | ILE | 0 | 0.019 | 0.014 | 29.704 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 279 | DAS | -1 | -0.787 | -0.861 | 26.362 | -12.007 | -12.007 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 280 | GLU | -1 | -0.818 | -0.913 | 27.005 | -10.521 | -10.521 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 281 | GLN | 0 | -0.116 | -0.080 | 21.746 | -1.112 | -1.112 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 282 | ARG | 1 | 0.811 | 0.877 | 23.529 | 11.268 | 11.268 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 283 | LEU | 0 | 0.083 | 0.040 | 25.801 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 284 | SER | 0 | -0.022 | 0.001 | 22.678 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 285 | ARG | 1 | 0.952 | 0.976 | 21.348 | 13.814 | 13.814 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 286 | VAL | 0 | 0.059 | 0.029 | 25.166 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 287 | TYR | 0 | 0.005 | 0.000 | 27.790 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 288 | ASP | -1 | -0.891 | -0.934 | 23.471 | -13.032 | -13.032 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 289 | ASN | 0 | -0.009 | -0.006 | 26.507 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 290 | LEU | 0 | -0.024 | 0.000 | 28.703 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 291 | LYS | 1 | 0.835 | 0.912 | 25.938 | 12.127 | 12.127 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 292 | ARG | 1 | 0.799 | 0.879 | 25.507 | 11.721 | 11.721 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 293 | LEU | 0 | -0.002 | 0.003 | 29.156 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 294 | GLY | 0 | -0.013 | 0.016 | 32.492 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 295 | MET | 0 | -0.040 | 0.001 | 34.263 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 296 | LYS | 1 | 0.906 | 0.939 | 35.324 | 8.371 | 8.371 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 297 | ALA | 0 | 0.067 | 0.032 | 36.475 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 298 | THR | 0 | -0.089 | -0.037 | 37.080 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 299 | VAL | 0 | 0.037 | 0.013 | 31.924 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 300 | LYS | 1 | 0.862 | 0.926 | 35.273 | 7.791 | 7.791 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 301 | GLN | 0 | -0.034 | -0.008 | 31.720 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 302 | GLY | 0 | 0.007 | -0.021 | 33.989 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 303 | ASP | -1 | -0.780 | -0.872 | 34.754 | -8.892 | -8.892 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 304 | GLY | 0 | 0.024 | 0.006 | 36.610 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 305 | ARG | 1 | 0.846 | 0.916 | 36.182 | 8.623 | 8.623 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 306 | TYR | 0 | -0.052 | -0.024 | 38.765 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 307 | PRO | 0 | 0.084 | 0.036 | 41.772 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 308 | SER | 0 | 0.016 | 0.015 | 42.791 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 309 | GLN | 0 | -0.066 | -0.035 | 39.831 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 310 | TRP | 0 | 0.037 | 0.017 | 39.141 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 311 | CYS | 0 | -0.101 | -0.037 | 41.223 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 312 | GLY | 0 | 0.048 | 0.043 | 44.119 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 313 | DGL | -1 | -0.888 | -0.966 | 47.175 | -6.488 | -6.488 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 314 | GLN | 0 | -0.063 | -0.036 | 45.330 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 315 | GLN | 0 | 0.016 | 0.002 | 48.143 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 316 | PHE | 0 | -0.032 | -0.023 | 43.952 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 317 | ASP | -1 | -0.788 | -0.877 | 47.707 | -6.302 | -6.302 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 318 | ARG | 1 | 0.806 | 0.873 | 45.092 | 6.726 | 6.726 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 319 | ILE | 0 | -0.021 | -0.006 | 41.899 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 320 | LEU | 0 | -0.006 | 0.017 | 37.352 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 321 | LEU | 0 | -0.003 | -0.010 | 37.348 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 322 | ASP | -1 | -0.844 | -0.899 | 32.552 | -9.542 | -9.542 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 323 | ALA | 0 | 0.008 | 0.005 | 34.220 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 324 | PRO | 0 | 0.024 | 0.022 | 32.219 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 325 | CYS | 0 | -0.013 | -0.003 | 31.635 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 326 | SER | 0 | -0.101 | -0.088 | 30.860 | -0.428 | -0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 327 | ALA | 0 | 0.035 | 0.006 | 27.944 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 328 | THR | 0 | 0.003 | -0.011 | 28.909 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 329 | GLY | 0 | -0.015 | 0.007 | 30.865 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 330 | VAL | 0 | 0.023 | 0.006 | 26.704 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 331 | ILE | 0 | -0.019 | -0.002 | 25.765 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 332 | ARG | 1 | 0.800 | 0.883 | 24.627 | 9.986 | 9.986 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 333 | ARG | 1 | 0.674 | 0.810 | 22.783 | 11.194 | 11.194 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 334 | HIS | 0 | -0.027 | -0.012 | 20.987 | -1.280 | -1.280 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 335 | PRO | 0 | 0.047 | 0.028 | 19.567 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 336 | ASP | -1 | -0.822 | -0.927 | 19.205 | -14.579 | -14.579 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 337 | ILE | 0 | 0.021 | 0.019 | 21.269 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 338 | LYS | 1 | 0.775 | 0.879 | 24.678 | 12.275 | 12.275 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 339 | TRP | 0 | -0.057 | -0.056 | 21.817 | 0.519 | 0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 340 | LEU | 0 | -0.047 | 0.007 | 20.948 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 341 | ARG | 1 | 0.820 | 0.919 | 24.736 | 11.298 | 11.298 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 342 | ARG | 1 | 0.858 | 0.893 | 28.432 | 9.929 | 9.929 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 343 | ASP | -1 | -0.781 | -0.867 | 31.134 | -8.185 | -8.185 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 344 | ARG | 1 | 0.944 | 0.962 | 33.383 | 9.038 | 9.038 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 345 | ASP | -1 | -0.679 | -0.801 | 30.301 | -9.933 | -9.933 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 346 | ILE | 0 | -0.029 | -0.002 | 33.630 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 347 | PRO | 0 | 0.003 | -0.005 | 36.403 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 348 | GLU | -1 | -0.924 | -0.953 | 34.402 | -8.757 | -8.757 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 349 | LEU | 0 | -0.025 | -0.015 | 32.044 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 350 | ALA | 0 | 0.020 | 0.019 | 36.367 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 351 | GLN | 0 | 0.009 | 0.009 | 39.771 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 352 | LEU | 0 | 0.029 | 0.025 | 34.835 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 353 | GLN | 0 | -0.031 | -0.052 | 35.883 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 354 | SER | 0 | 0.010 | 0.011 | 39.709 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 355 | GLU | -1 | -0.875 | -0.952 | 40.461 | -7.640 | -7.640 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 356 | ILE | 0 | -0.061 | -0.041 | 37.473 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 357 | LEU | 0 | -0.018 | -0.006 | 41.376 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 358 | ASP | -1 | -0.812 | -0.885 | 43.883 | -6.556 | -6.556 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 359 | ALA | 0 | -0.043 | -0.013 | 43.252 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 360 | ILE | 0 | -0.045 | -0.034 | 42.052 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 361 | TRP | 0 | 0.004 | 0.004 | 44.757 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 362 | PRO | 0 | 0.000 | 0.002 | 47.736 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 363 | HIS | 1 | 0.823 | 0.919 | 46.125 | 6.874 | 6.874 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 364 | LEU | 0 | -0.014 | 0.016 | 47.150 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 365 | LYS | 1 | 0.864 | 0.926 | 49.164 | 6.419 | 6.419 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 366 | THR | 0 | -0.010 | -0.034 | 52.243 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 367 | GLY | 0 | 0.016 | 0.018 | 54.905 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 368 | GLY | 0 | 0.005 | 0.021 | 50.598 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 369 | THR | 0 | -0.025 | -0.036 | 46.659 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 370 | LEU | 0 | -0.013 | 0.005 | 43.292 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 371 | VAL | 0 | -0.011 | -0.011 | 41.000 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 372 | TYR | 0 | -0.012 | -0.021 | 39.707 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 373 | ALA | 0 | 0.000 | -0.008 | 37.028 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 374 | THR | 0 | 0.010 | -0.015 | 35.153 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 375 | CYS | 0 | 0.012 | 0.006 | 30.638 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 376 | SER | 0 | -0.008 | -0.031 | 31.984 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 377 | VAL | 0 | 0.043 | 0.016 | 34.194 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 378 | LEU | 0 | -0.037 | -0.003 | 34.966 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 379 | PRO | 0 | 0.077 | 0.029 | 38.264 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 380 | GLU | -1 | -0.916 | -0.984 | 40.459 | -7.458 | -7.458 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 381 | GLU | -1 | -0.704 | -0.775 | 35.275 | -8.957 | -8.957 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 382 | ASN | 0 | 0.002 | 0.017 | 37.659 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 383 | SER | 0 | 0.058 | 0.037 | 41.394 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 384 | LEU | 0 | -0.041 | -0.033 | 44.566 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 385 | GLN | 0 | -0.064 | -0.024 | 41.006 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 386 | ILE | 0 | 0.052 | 0.014 | 43.839 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 387 | LYS | 1 | 0.847 | 0.927 | 46.541 | 6.187 | 6.187 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 388 | ALA | 0 | 0.000 | 0.003 | 47.477 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 389 | PHE | 0 | 0.020 | -0.007 | 47.168 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 390 | LEU | 0 | 0.028 | 0.022 | 49.073 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 391 | GLN | 0 | -0.075 | -0.027 | 52.024 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 392 | ARG | 1 | 0.764 | 0.870 | 45.921 | 6.791 | 6.791 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 393 | THR | 0 | -0.036 | -0.018 | 51.050 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 394 | ALA | 0 | 0.009 | -0.001 | 53.616 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 395 | ASP | -1 | -0.866 | -0.917 | 54.458 | -5.845 | -5.845 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 396 | ALA | 0 | 0.012 | 0.002 | 51.418 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 397 | GLU | -1 | -0.890 | -0.935 | 52.993 | -5.657 | -5.657 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 398 | LEU | 0 | -0.071 | -0.030 | 48.553 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 399 | CYS | 0 | -0.011 | -0.009 | 50.266 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 400 | DGL | -1 | -0.877 | -0.932 | 49.670 | -6.068 | -6.068 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 401 | THR | 0 | -0.086 | -0.032 | 45.209 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 402 | GLY | 0 | 0.042 | 0.041 | 47.924 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 403 | THR | 0 | 0.009 | -0.010 | 49.424 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 404 | PRO | 0 | 0.108 | 0.033 | 51.541 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 405 | GLU | -1 | -0.948 | -0.958 | 53.202 | -5.840 | -5.840 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 406 | GLN | 0 | -0.070 | -0.043 | 48.983 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 407 | PRO | 0 | 0.015 | 0.022 | 47.493 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 408 | GLY | 0 | 0.044 | -0.010 | 44.878 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 409 | LYS | 1 | 0.915 | 0.957 | 41.581 | 7.659 | 7.659 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 410 | GLN | 0 | -0.026 | -0.013 | 37.622 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 411 | ASN | 0 | -0.002 | 0.002 | 36.912 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 412 | LEU | 0 | 0.015 | -0.010 | 36.409 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 413 | PRO | 0 | -0.018 | 0.009 | 31.766 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 414 | GLY | 0 | 0.085 | 0.021 | 33.261 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 415 | ALA | 0 | -0.011 | 0.006 | 31.430 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 416 | GLU | -1 | -0.892 | -0.942 | 32.049 | -9.067 | -9.067 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 417 | GLU | -1 | -0.795 | -0.890 | 33.730 | -8.120 | -8.120 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 418 | GLY | 0 | 0.018 | 0.036 | 32.437 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 419 | ASP | -1 | -0.843 | -0.919 | 28.677 | -10.962 | -10.962 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 420 | GLY | 0 | -0.009 | 0.012 | 31.693 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 421 | PHE | 0 | 0.006 | -0.026 | 32.770 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 422 | PHE | 0 | -0.006 | 0.022 | 35.655 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 423 | TYR | 0 | -0.024 | -0.042 | 37.430 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 424 | ALA | 0 | 0.049 | 0.021 | 41.383 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 425 | LYS | 1 | 0.889 | 0.949 | 44.333 | 6.534 | 6.534 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 426 | LEU | 0 | -0.010 | 0.001 | 46.173 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 427 | ILE | 0 | -0.004 | -0.001 | 49.059 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 428 | LYS | 1 | 0.823 | 0.924 | 51.778 | 6.189 | 6.189 | 0.000 | 0.000 | 0.000 | 0.000 |