FMODB ID: N1R8Q
Calculation Name: 1UAA-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1UAA
Chain ID: B
UniProt ID: P09980
Base Structure: X-ray
Registration Date: 2023-06-21
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 | OptAll |
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 | 633 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14366375.45674 |
---|---|
FMO2-HF: Nuclear repulsion | 14112580.68275 |
FMO2-HF: Total energy | -253794.773991 |
FMO2-MP2: Total energy | -254536.868665 |
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(B:2:ARG)
Summations of interaction energy for
fragment #1(B:2: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. |
-21.013 | -18.849 | -0.01 | -0.968 | -1.186 | 0.001 |
Interaction energy analysis for fragmet #1(B:2: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 | B | 4 | ASN | 0 | 0.041 | 0.042 | 3.872 | -4.012 | -2.347 | -0.009 | -0.730 | -0.926 | 0.000 |
4 | B | 5 | PRO | 0 | 0.072 | 0.009 | 5.554 | 2.207 | 2.207 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | GLY | 0 | 0.056 | 0.047 | 8.714 | 1.891 | 1.891 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | GLN | 0 | 0.011 | -0.023 | 6.488 | -1.966 | -1.966 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | GLN | 0 | -0.036 | -0.029 | 6.138 | -0.886 | -0.886 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | GLN | 0 | 0.029 | 0.007 | 8.394 | 2.949 | 2.949 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | ALA | 0 | 0.019 | 0.007 | 11.592 | 1.388 | 1.388 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | VAL | 0 | -0.032 | -0.015 | 8.291 | 1.296 | 1.296 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | GLU | -1 | -0.799 | -0.891 | 10.551 | -21.157 | -21.157 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | PHE | 0 | -0.001 | 0.008 | 12.919 | 1.089 | 1.089 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | VAL | 0 | 0.018 | 0.004 | 15.400 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | THR | 0 | -0.021 | -0.019 | 18.042 | 0.465 | 0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | GLY | 0 | -0.050 | -0.028 | 21.181 | 0.597 | 0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | PRO | 0 | 0.011 | 0.033 | 21.774 | -0.398 | -0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | CYS | 0 | -0.027 | -0.009 | 17.778 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | LEU | 0 | 0.025 | 0.022 | 20.460 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | VAL | 0 | -0.020 | -0.022 | 14.190 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | LEU | 0 | 0.037 | 0.012 | 17.398 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ALA | 0 | -0.026 | -0.029 | 15.396 | -0.689 | -0.689 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | GLY | 0 | 0.068 | 0.056 | 16.504 | 0.548 | 0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | ALA | 0 | 0.049 | 0.034 | 16.199 | -0.936 | -0.936 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | GLY | 0 | 0.046 | 0.028 | 15.042 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | SER | 0 | -0.049 | -0.027 | 11.949 | -1.381 | -1.381 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | GLY | 0 | -0.004 | -0.009 | 10.084 | -1.563 | -1.563 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.863 | 0.912 | 10.656 | 13.130 | 13.130 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | THR | 0 | 0.090 | 0.028 | 12.558 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | ARG | 1 | 0.808 | 0.931 | 3.900 | 34.217 | 34.716 | -0.001 | -0.238 | -0.260 | 0.001 |
30 | B | 31 | VAL | 0 | 0.041 | 0.023 | 9.045 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ILE | 0 | 0.032 | 0.021 | 10.114 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | THR | 0 | -0.035 | -0.028 | 10.485 | 0.560 | 0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | ASN | 0 | 0.018 | 0.002 | 5.658 | 1.152 | 1.152 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | LYS | 1 | 0.818 | 0.909 | 9.429 | 15.945 | 15.945 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | ILE | 0 | -0.002 | 0.002 | 12.296 | 0.693 | 0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | ALA | 0 | -0.010 | -0.021 | 10.631 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | HIS | 0 | -0.030 | -0.020 | 10.762 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | LEU | 0 | 0.001 | 0.005 | 12.585 | 0.674 | 0.674 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | ILE | 0 | -0.041 | -0.022 | 16.080 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | ARG | 1 | 0.754 | 0.832 | 11.536 | 17.824 | 17.824 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | GLY | 0 | 0.020 | 0.025 | 14.487 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | CYS | 0 | -0.064 | -0.034 | 15.367 | 0.383 | 0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | GLY | 0 | 0.013 | 0.024 | 18.636 | 0.640 | 0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | TYR | 0 | -0.057 | -0.042 | 19.531 | 0.816 | 0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | GLN | 0 | 0.048 | 0.016 | 20.418 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | ALA | 0 | 0.100 | 0.046 | 20.376 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | ARG | 1 | 0.853 | 0.918 | 21.763 | 9.793 | 9.793 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | HIS | 0 | -0.046 | -0.017 | 24.209 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | ILE | 0 | 0.012 | 0.016 | 18.423 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ALA | 0 | -0.007 | 0.002 | 22.377 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.004 | -0.008 | 19.320 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | VAL | 0 | 0.006 | 0.016 | 21.250 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | THR | 0 | -0.008 | -0.013 | 21.131 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | PHE | 0 | 0.095 | 0.032 | 23.905 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | THR | 0 | 0.053 | 0.030 | 24.508 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | ASN | 0 | 0.003 | -0.017 | 25.120 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | LYS | 1 | 0.891 | 0.949 | 19.619 | 12.543 | 12.543 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ALA | 0 | 0.082 | 0.043 | 20.553 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | ALA | 0 | -0.003 | -0.002 | 20.435 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | ARG | 1 | 0.874 | 0.937 | 22.099 | 10.543 | 10.543 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLU | -1 | -0.751 | -0.860 | 17.045 | -13.704 | -13.704 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | MET | 0 | 0.000 | 0.004 | 16.205 | -0.654 | -0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | LYS | 1 | 0.846 | 0.917 | 16.825 | 10.556 | 10.556 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | GLU | -1 | -0.901 | -0.950 | 17.715 | -12.719 | -12.719 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | ARG | 1 | 0.913 | 0.954 | 7.012 | 20.622 | 20.622 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | VAL | 0 | 0.015 | 0.005 | 13.391 | -0.688 | -0.688 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | GLY | 0 | -0.017 | -0.009 | 15.205 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | GLN | 0 | -0.035 | 0.001 | 13.350 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | THR | 0 | -0.051 | -0.040 | 9.849 | -1.133 | -1.133 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | LEU | 0 | -0.037 | -0.006 | 12.419 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | GLY | 0 | 0.036 | 0.016 | 15.128 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | ARG | 1 | 0.932 | 0.942 | 17.879 | 11.840 | 11.840 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | LYN | 0 | -0.009 | 0.014 | 19.897 | 0.660 | 0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | GLU | -1 | -0.735 | -0.855 | 16.653 | -14.923 | -14.923 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | ALA | 0 | 0.053 | 0.037 | 18.706 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | ARG | 1 | 0.887 | 0.932 | 20.101 | 10.294 | 10.294 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | GLY | 0 | 0.008 | -0.006 | 23.964 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | LEU | 0 | 0.019 | 0.030 | 18.979 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | MET | 0 | -0.015 | 0.023 | 22.468 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | ILE | 0 | -0.024 | -0.009 | 18.713 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | SER | 0 | -0.032 | -0.016 | 22.504 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | THR | 0 | 0.060 | 0.048 | 24.855 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | PHE | 0 | 0.066 | 0.015 | 26.867 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | HIS | 0 | 0.063 | 0.038 | 29.402 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | THR | 0 | -0.048 | -0.021 | 29.431 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | LEU | 0 | -0.015 | -0.009 | 27.654 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLY | 0 | 0.031 | 0.018 | 30.788 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | LEU | 0 | 0.063 | 0.023 | 33.844 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | ASP | -1 | -0.855 | -0.923 | 32.496 | -8.190 | -8.190 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | ILE | 0 | -0.017 | -0.003 | 32.311 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | ILE | 0 | 0.051 | 0.037 | 35.977 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 93 | LYS | 1 | 0.931 | 0.966 | 37.435 | 7.315 | 7.315 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 94 | ARG | 1 | 0.789 | 0.855 | 32.621 | 8.351 | 8.351 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | GLU | -1 | -0.734 | -0.843 | 37.696 | -7.299 | -7.299 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | TYR | 0 | 0.027 | 0.014 | 40.607 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | ALA | 0 | -0.046 | -0.020 | 41.154 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | ALA | 0 | -0.041 | -0.009 | 40.945 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | LEU | 0 | -0.033 | -0.011 | 42.951 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | GLY | 0 | -0.002 | 0.010 | 45.902 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | MET | 0 | -0.045 | -0.010 | 46.754 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | LYS | 1 | 0.859 | 0.901 | 44.930 | 5.855 | 5.855 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | ALA | 0 | 0.040 | 0.046 | 42.829 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | ASN | 0 | -0.062 | -0.056 | 44.967 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | PHE | 0 | 0.056 | 0.046 | 42.567 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | SER | 0 | -0.040 | -0.023 | 43.873 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | LEU | 0 | -0.026 | -0.012 | 38.657 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | PHE | 0 | 0.010 | 0.008 | 42.067 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ASP | -1 | -0.795 | -0.911 | 39.577 | -7.341 | -7.341 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ASP | -1 | -0.940 | -0.986 | 39.737 | -6.914 | -6.914 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.017 | -0.010 | 41.753 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | ASP | -1 | -0.853 | -0.921 | 44.427 | -6.293 | -6.293 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | GLN | 0 | -0.038 | -0.028 | 41.106 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | LEU | 0 | -0.015 | -0.006 | 45.218 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | ALA | 0 | -0.008 | -0.008 | 47.264 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | LEU | 0 | -0.017 | 0.001 | 49.688 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | LEU | 0 | -0.003 | -0.017 | 47.347 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | LYS | 1 | 0.781 | 0.901 | 51.235 | 5.369 | 5.369 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | GLU | -1 | -0.898 | -0.952 | 53.445 | -5.230 | -5.230 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | LEU | 0 | 0.002 | 0.007 | 52.262 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | THR | 0 | -0.073 | -0.077 | 53.888 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | GLU | -1 | -0.834 | -0.880 | 56.538 | -5.031 | -5.031 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | GLY | 0 | -0.013 | -0.007 | 58.402 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | LEU | 0 | -0.120 | -0.062 | 58.141 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | ILE | 0 | -0.032 | -0.024 | 53.696 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | GLU | -1 | -0.856 | -0.924 | 54.188 | -5.423 | -5.423 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | ASP | -1 | -0.831 | -0.910 | 54.318 | -5.471 | -5.471 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | ASP | -1 | -0.821 | -0.909 | 50.516 | -5.904 | -5.904 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | LYS | 1 | 0.974 | 0.981 | 43.236 | 6.589 | 6.589 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | VAL | 0 | -0.031 | -0.019 | 46.092 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LEU | 0 | 0.007 | 0.018 | 46.970 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | 0.065 | 0.022 | 48.448 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | GLN | 0 | -0.034 | -0.016 | 41.890 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | GLN | 0 | 0.052 | 0.043 | 44.260 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | LEU | 0 | 0.018 | 0.027 | 46.021 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | ILE | 0 | 0.032 | 0.007 | 42.508 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | SER | 0 | -0.066 | -0.050 | 41.429 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | THR | 0 | 0.013 | 0.003 | 42.566 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | ILE | 0 | -0.013 | 0.015 | 45.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | SER | 0 | -0.029 | -0.031 | 40.202 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | ASN | 0 | -0.029 | -0.015 | 39.940 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | TRP | 0 | 0.017 | -0.007 | 41.762 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | LYS | 1 | 0.766 | 0.860 | 42.536 | 6.770 | 6.770 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | ASN | 0 | -0.064 | -0.060 | 37.569 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | ASP | -1 | -0.944 | -0.974 | 39.675 | -6.953 | -6.953 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LEU | 0 | -0.081 | -0.044 | 39.739 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LYS | 1 | 0.820 | 0.934 | 43.458 | 6.350 | 6.350 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | THR | 0 | 0.000 | -0.020 | 47.075 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | PRO | 0 | 0.061 | 0.038 | 50.059 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | SER | 0 | 0.014 | -0.001 | 52.040 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | GLN | 0 | 0.023 | 0.024 | 49.893 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | 0.024 | 0.039 | 49.333 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | ALA | 0 | 0.041 | 0.011 | 50.841 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | ALA | 0 | -0.054 | -0.026 | 53.528 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | SER | 0 | -0.082 | -0.052 | 49.804 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | ALA | 0 | 0.025 | 0.034 | 50.780 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | ILE | 0 | -0.040 | -0.023 | 52.588 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | GLY | 0 | 0.064 | 0.031 | 53.390 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | GLU | -1 | -0.976 | -0.987 | 54.983 | -5.123 | -5.123 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ARG | 1 | 0.944 | 0.922 | 49.723 | 5.930 | 5.930 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ASP | -1 | -0.796 | -0.856 | 51.086 | -5.857 | -5.857 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | ARG | 1 | 0.903 | 0.949 | 53.293 | 5.091 | 5.091 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | ILE | 0 | 0.013 | 0.015 | 56.204 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | PHE | 0 | 0.035 | 0.016 | 49.676 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | ALA | 0 | 0.009 | 0.004 | 52.202 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | HIS | 0 | -0.038 | -0.015 | 53.202 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | CYS | 0 | -0.018 | -0.010 | 53.372 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | TYR | 0 | 0.000 | -0.007 | 47.189 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | GLY | 0 | 0.018 | -0.005 | 51.566 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | LEU | 0 | -0.028 | -0.010 | 54.061 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | TYR | 0 | 0.007 | -0.022 | 45.174 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | ASP | -1 | -0.804 | -0.914 | 49.357 | -5.824 | -5.824 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ALA | 0 | -0.049 | -0.015 | 50.768 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | HIS | 0 | 0.027 | -0.003 | 53.058 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | LEU | 0 | -0.013 | 0.003 | 46.424 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LYS | 1 | 0.786 | 0.882 | 50.413 | 5.683 | 5.683 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ALA | 0 | -0.042 | -0.006 | 51.392 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | CYS | 0 | -0.061 | -0.039 | 52.196 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.057 | -0.020 | 49.105 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | VAL | 0 | -0.025 | -0.018 | 46.945 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | LEU | 0 | 0.003 | 0.005 | 41.899 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | ASP | -1 | -0.676 | -0.799 | 42.687 | -6.716 | -6.716 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | PHE | 0 | -0.014 | -0.009 | 37.112 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | ASP | -1 | -0.845 | -0.903 | 37.429 | -7.292 | -7.292 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | ASP | -1 | -0.750 | -0.866 | 38.509 | -6.756 | -6.756 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | LEU | 0 | -0.085 | -0.039 | 35.928 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | ILE | 0 | -0.064 | -0.024 | 32.859 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | LEU | 0 | 0.048 | 0.044 | 36.169 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LEU | 0 | 0.040 | 0.037 | 39.268 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | PRO | 0 | -0.020 | -0.028 | 36.043 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | THR | 0 | -0.029 | -0.029 | 36.636 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LEU | 0 | 0.055 | 0.015 | 37.896 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | LEU | 0 | -0.034 | 0.001 | 39.828 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | LEU | 0 | -0.016 | -0.024 | 34.818 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | GLN | 0 | -0.030 | -0.012 | 39.007 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | ALA | 0 | -0.019 | -0.006 | 40.821 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | ASN | 0 | 0.001 | 0.008 | 42.412 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | GLU | -1 | -0.843 | -0.921 | 39.950 | -7.247 | -7.247 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | GLU | -1 | -0.801 | -0.874 | 39.925 | -6.935 | -6.935 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | VAL | 0 | -0.006 | -0.003 | 38.405 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | ARG | 1 | 0.834 | 0.921 | 35.973 | 7.195 | 7.195 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.929 | 0.960 | 34.923 | 7.571 | 7.571 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | ARG | 1 | 0.755 | 0.844 | 34.911 | 6.965 | 6.965 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | TRP | 0 | 0.016 | -0.024 | 30.386 | -0.467 | -0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 205 | GLN | 0 | -0.010 | -0.018 | 30.931 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 206 | ASN | 0 | -0.104 | -0.034 | 30.444 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 207 | LYS | 1 | 0.888 | 0.953 | 29.328 | 8.804 | 8.804 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 208 | ILE | 0 | 0.006 | -0.005 | 25.443 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 209 | ARG | 1 | 0.851 | 0.937 | 24.987 | 9.535 | 9.535 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 210 | TYR | 0 | 0.048 | 0.030 | 18.909 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 211 | LEU | 0 | 0.013 | 0.023 | 22.833 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 212 | LEU | 0 | -0.018 | -0.007 | 16.228 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 213 | VAL | 0 | 0.010 | 0.004 | 20.408 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 214 | ASP | -1 | -0.780 | -0.882 | 18.277 | -14.274 | -14.274 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 215 | GLU | -1 | -0.828 | -0.918 | 20.611 | -11.924 | -11.924 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 216 | TYR | 0 | 0.018 | -0.003 | 22.565 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 217 | GLN | 0 | -0.020 | -0.008 | 23.536 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 218 | ASP | -1 | -0.756 | -0.866 | 26.518 | -10.035 | -10.035 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 219 | THR | 0 | -0.123 | -0.063 | 27.213 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 220 | ASN | 0 | 0.062 | 0.046 | 29.665 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 221 | THR | 0 | 0.043 | 0.006 | 33.111 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 222 | SER | 0 | 0.092 | 0.054 | 34.973 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 223 | GLN | 0 | -0.007 | -0.004 | 30.160 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 224 | TYR | 0 | 0.004 | -0.023 | 30.319 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 225 | GLU | -1 | -0.751 | -0.862 | 31.391 | -8.255 | -8.255 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 226 | LEU | 0 | -0.013 | 0.007 | 30.986 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 227 | VAL | 0 | -0.012 | -0.022 | 26.810 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 228 | LYS | 1 | 0.805 | 0.879 | 29.593 | 8.276 | 8.276 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 229 | LEU | 0 | -0.011 | -0.009 | 31.589 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 230 | LEU | 0 | -0.012 | 0.020 | 28.850 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 231 | VAL | 0 | -0.030 | -0.021 | 26.200 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 232 | GLY | 0 | 0.013 | 0.011 | 29.489 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 233 | SER | 0 | 0.033 | -0.001 | 30.407 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 234 | ARG | 1 | 0.800 | 0.915 | 25.725 | 10.019 | 10.019 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 235 | ALA | 0 | 0.019 | 0.002 | 27.167 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 236 | ARG | 1 | 0.876 | 0.962 | 23.120 | 10.697 | 10.697 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 237 | PHE | 0 | 0.044 | 0.009 | 21.867 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 238 | THR | 0 | -0.027 | -0.019 | 16.066 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 239 | VAL | 0 | 0.039 | 0.038 | 19.513 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 240 | VAL | 0 | -0.029 | -0.025 | 16.190 | -0.679 | -0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 241 | GLY | 0 | -0.009 | -0.010 | 19.165 | 0.519 | 0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 242 | ASP | -1 | -0.768 | -0.879 | 20.114 | -13.661 | -13.661 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 243 | ASP | -1 | -0.728 | -0.885 | 22.027 | -11.240 | -11.240 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 244 | ASP | -1 | -0.819 | -0.896 | 23.842 | -10.948 | -10.948 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 245 | GLN | 0 | -0.055 | -0.057 | 19.795 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 246 | SER | 0 | -0.053 | -0.030 | 25.322 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 247 | ILE | 0 | 0.006 | 0.010 | 27.894 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 248 | TYR | 0 | 0.002 | -0.006 | 28.698 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 249 | SER | 0 | -0.032 | -0.035 | 32.675 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 250 | TRP | 0 | 0.005 | -0.004 | 34.366 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 251 | ARG | 1 | 0.878 | 0.936 | 35.339 | 7.681 | 7.681 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 252 | GLY | 0 | 0.050 | 0.024 | 36.364 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 253 | ALA | 0 | -0.077 | -0.015 | 31.207 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 254 | ARG | 1 | 0.873 | 0.922 | 32.590 | 8.340 | 8.340 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 255 | PRO | 0 | 0.074 | 0.043 | 31.031 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 256 | GLN | 0 | 0.012 | -0.004 | 30.189 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 257 | ASN | 0 | -0.022 | -0.024 | 28.200 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 258 | LEU | 0 | -0.015 | -0.008 | 23.628 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 259 | VAL | 0 | 0.019 | 0.027 | 27.313 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 260 | LEU | 0 | 0.045 | 0.027 | 30.211 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 261 | LEU | 0 | -0.016 | 0.015 | 24.793 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 262 | SER | 0 | -0.069 | -0.065 | 28.002 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 263 | GLN | 0 | -0.014 | -0.009 | 29.275 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 264 | ASP | -1 | -0.802 | -0.878 | 31.855 | -8.697 | -8.697 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 265 | PHE | 0 | -0.034 | -0.022 | 28.231 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 266 | PRO | 0 | 0.042 | 0.026 | 28.823 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 267 | ALA | 0 | -0.048 | -0.022 | 27.638 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 268 | LEU | 0 | -0.047 | -0.022 | 23.620 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 269 | LYS | 1 | 0.851 | 0.942 | 17.513 | 14.969 | 14.969 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 270 | VAL | 0 | 0.039 | 0.014 | 20.562 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 271 | ILE | 0 | -0.054 | -0.024 | 14.433 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 272 | LYS | 1 | 0.861 | 0.933 | 16.329 | 15.837 | 15.837 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 273 | LEU | 0 | -0.097 | -0.043 | 11.292 | -1.322 | -1.322 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 274 | GLU | -1 | -0.745 | -0.870 | 13.033 | -15.642 | -15.642 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 275 | GLN | 0 | -0.014 | 0.005 | 7.061 | -2.051 | -2.051 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 276 | ASN | 0 | 0.018 | 0.013 | 10.907 | -1.210 | -1.210 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 277 | TYR | 0 | -0.039 | -0.057 | 5.890 | -2.294 | -2.294 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 278 | ARG | 1 | 0.795 | 0.887 | 11.412 | 14.669 | 14.669 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 279 | SER | 0 | -0.005 | -0.013 | 14.643 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 280 | SER | 0 | 0.010 | 0.012 | 16.796 | -0.734 | -0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 281 | GLY | 0 | 0.028 | 0.011 | 18.624 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 282 | ARG | 1 | 0.737 | 0.842 | 19.383 | 11.371 | 11.371 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 283 | ILE | 0 | 0.013 | 0.016 | 21.364 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 284 | LEU | 0 | -0.022 | -0.007 | 16.285 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 285 | LYS | 1 | 0.794 | 0.898 | 20.832 | 11.456 | 11.456 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 286 | ALA | 0 | 0.056 | 0.010 | 23.451 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 287 | ALA | 0 | -0.016 | 0.001 | 22.374 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 288 | ASN | 0 | -0.039 | -0.051 | 19.757 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 289 | ILE | 0 | -0.034 | -0.008 | 23.913 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 290 | LEU | 0 | 0.017 | 0.028 | 27.493 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 291 | ILE | 0 | 0.002 | -0.005 | 24.535 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 292 | ALA | 0 | -0.047 | -0.021 | 27.510 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 293 | ASN | 0 | -0.036 | -0.013 | 28.989 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 294 | ASN | 0 | -0.006 | 0.015 | 29.735 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 295 | PRO | 0 | -0.013 | 0.014 | 31.767 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 296 | HIS | 0 | -0.017 | -0.037 | 25.596 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 297 | VAL | 0 | -0.072 | -0.030 | 28.465 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 298 | PHE | 0 | -0.074 | -0.043 | 23.602 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 299 | GLU | -1 | -0.868 | -0.946 | 22.307 | -13.153 | -13.153 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 300 | LYS | 1 | 0.736 | 0.857 | 19.148 | 11.954 | 11.954 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 301 | ARG | 1 | 0.898 | 0.960 | 19.197 | 12.551 | 12.551 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 302 | LEU | 0 | -0.014 | 0.001 | 16.394 | -0.971 | -0.971 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 303 | PHE | 0 | -0.004 | -0.001 | 11.120 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 304 | SER | 0 | 0.019 | -0.017 | 12.559 | -0.746 | -0.746 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 305 | GLU | -1 | -0.870 | -0.914 | 9.205 | -27.181 | -27.181 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 306 | LEU | 0 | -0.060 | -0.011 | 12.194 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 307 | GLY | 0 | 0.008 | 0.005 | 14.681 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 308 | TYR | 0 | -0.049 | -0.068 | 17.939 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 309 | GLY | 0 | 0.018 | 0.012 | 21.084 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 310 | ALA | 0 | 0.008 | 0.012 | 23.262 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 311 | GLU | -1 | -0.835 | -0.914 | 26.977 | -10.717 | -10.717 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 312 | LEU | 0 | -0.025 | 0.002 | 26.326 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 313 | LYS | 1 | 0.866 | 0.924 | 30.127 | 9.053 | 9.053 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 314 | VAL | 0 | 0.023 | 0.007 | 33.426 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 315 | LEU | 0 | -0.036 | -0.015 | 36.067 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 316 | SER | 0 | -0.035 | -0.025 | 38.592 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 317 | ALA | 0 | 0.034 | 0.033 | 41.949 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 318 | ASN | 0 | 0.000 | -0.021 | 43.602 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 319 | ASN | 0 | 0.025 | -0.002 | 46.690 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 320 | GLU | -1 | -0.813 | -0.914 | 44.142 | -6.739 | -6.739 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 321 | GLU | -1 | -0.829 | -0.914 | 44.051 | -6.492 | -6.492 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 322 | HIS | 0 | -0.007 | 0.021 | 44.609 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 323 | GLU | -1 | -0.701 | -0.837 | 39.300 | -7.724 | -7.724 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 324 | ALA | 0 | -0.018 | 0.008 | 39.971 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 325 | GLU | -1 | -0.861 | -0.920 | 40.345 | -6.899 | -6.899 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 326 | ARG | 1 | 0.800 | 0.866 | 39.118 | 7.421 | 7.421 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 327 | VAL | 0 | -0.017 | -0.004 | 34.623 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 328 | THR | 0 | -0.041 | -0.044 | 36.120 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 329 | GLY | 0 | 0.053 | 0.028 | 37.482 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 330 | GLU | -1 | -0.789 | -0.889 | 35.239 | -8.583 | -8.583 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 331 | LEU | 0 | -0.052 | -0.005 | 31.805 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 332 | ILE | 0 | 0.002 | -0.005 | 33.402 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 333 | ALA | 0 | 0.010 | 0.012 | 35.518 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 334 | HIS | 1 | 0.827 | 0.893 | 27.316 | 10.239 | 10.239 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 335 | HIS | 0 | -0.041 | -0.009 | 30.117 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 336 | PHE | 0 | 0.025 | 0.013 | 31.765 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 337 | VAL | 0 | -0.002 | -0.009 | 32.608 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 338 | ASN | 0 | -0.057 | -0.040 | 28.160 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 339 | LYS | 1 | 0.814 | 0.914 | 28.241 | 8.933 | 8.933 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 340 | THR | 0 | -0.026 | 0.026 | 26.156 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 341 | GLN | 0 | -0.025 | -0.030 | 22.607 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 342 | TYR | 0 | 0.021 | -0.021 | 27.555 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 343 | LYS | 1 | 0.817 | 0.895 | 23.903 | 11.000 | 11.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 344 | ASP | -1 | -0.825 | -0.900 | 23.781 | -12.139 | -12.139 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 345 | TYR | 0 | 0.005 | -0.011 | 24.816 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 346 | ALA | 0 | -0.012 | 0.000 | 26.451 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 347 | ILE | 0 | -0.022 | -0.011 | 28.241 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 348 | LEU | 0 | -0.008 | -0.011 | 26.729 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 349 | TYR | 0 | 0.029 | 0.027 | 31.454 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 350 | ARG | 1 | 0.817 | 0.870 | 33.829 | 7.883 | 7.883 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 351 | GLY | 0 | 0.037 | 0.019 | 36.158 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 352 | ASN | 0 | 0.015 | -0.024 | 37.478 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 353 | HIS | 0 | 0.003 | 0.027 | 39.440 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 354 | GLN | 0 | 0.070 | 0.035 | 37.954 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 355 | SER | 0 | -0.022 | -0.015 | 37.878 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 356 | ARG | 1 | 0.842 | 0.921 | 39.149 | 6.465 | 6.465 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 357 | VAL | 0 | 0.038 | 0.018 | 41.997 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 358 | PHE | 0 | 0.073 | 0.014 | 36.654 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 359 | GLU | -1 | -0.752 | -0.829 | 39.287 | -7.257 | -7.257 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 360 | LYS | 1 | 0.802 | 0.911 | 40.791 | 6.288 | 6.288 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 361 | PHE | 0 | 0.079 | 0.037 | 41.523 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 362 | LEU | 0 | -0.019 | -0.010 | 35.894 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 363 | MET | 0 | -0.054 | 0.013 | 39.559 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 364 | GLN | 0 | 0.074 | 0.025 | 41.972 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 365 | ASN | 0 | -0.027 | -0.012 | 40.767 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 366 | ARG | 1 | 0.911 | 0.945 | 40.443 | 6.818 | 6.818 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 367 | ILE | 0 | 0.018 | 0.026 | 35.015 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 368 | PRO | 0 | 0.013 | 0.035 | 33.263 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 369 | TYR | 0 | -0.023 | -0.061 | 33.139 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 370 | LYS | 1 | 0.816 | 0.893 | 29.247 | 9.419 | 9.419 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 371 | ILE | 0 | -0.011 | 0.016 | 32.453 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 372 | SER | 0 | -0.022 | -0.039 | 29.515 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 373 | GLY | 0 | -0.037 | -0.005 | 31.887 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 374 | GLY | 0 | 0.006 | -0.004 | 33.295 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 375 | THR | 0 | 0.003 | 0.002 | 36.680 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 376 | SER | 0 | -0.003 | -0.008 | 38.864 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 377 | PHE | 0 | -0.066 | -0.056 | 40.315 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 378 | PHE | 0 | 0.054 | 0.004 | 42.414 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 379 | SER | 0 | -0.017 | -0.002 | 41.368 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 380 | ARG | 1 | 0.857 | 0.939 | 42.327 | 6.752 | 6.752 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 381 | PRO | 0 | 0.023 | 0.008 | 46.401 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 382 | GLU | -1 | -0.765 | -0.884 | 49.450 | -5.955 | -5.955 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 383 | ILE | 0 | -0.009 | 0.008 | 47.452 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 384 | LYS | 1 | 0.789 | 0.882 | 45.749 | 6.328 | 6.328 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 385 | ASP | -1 | -0.784 | -0.876 | 49.351 | -5.551 | -5.551 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 386 | LEU | 0 | 0.001 | 0.011 | 52.840 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 387 | LEU | 0 | -0.002 | -0.017 | 47.038 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 388 | ALA | 0 | -0.049 | -0.012 | 51.554 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 389 | TYR | 0 | 0.032 | -0.016 | 53.164 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 390 | LEU | 0 | 0.021 | 0.008 | 54.068 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 391 | ARG | 1 | 0.835 | 0.931 | 47.194 | 6.106 | 6.106 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 392 | VAL | 0 | 0.037 | 0.020 | 54.082 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 393 | LEU | 0 | -0.031 | -0.025 | 57.454 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 394 | THR | 0 | -0.084 | -0.048 | 55.126 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 395 | ASN | 0 | -0.078 | -0.045 | 54.553 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 396 | PRO | 0 | 0.052 | 0.048 | 56.960 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 397 | ASP | -1 | -0.928 | -0.965 | 57.385 | -5.024 | -5.024 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 398 | ASP | -1 | -0.779 | -0.907 | 53.347 | -5.562 | -5.562 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 399 | ASP | -1 | -0.797 | -0.903 | 53.965 | -5.277 | -5.277 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 400 | SER | 0 | -0.089 | -0.036 | 50.740 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 401 | ALA | 0 | -0.007 | 0.002 | 52.879 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 402 | PHE | 0 | 0.083 | 0.022 | 54.022 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 403 | LEU | 0 | -0.012 | -0.010 | 54.522 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 404 | ARG | 1 | 0.823 | 0.910 | 51.417 | 5.605 | 5.605 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 405 | ILE | 0 | 0.004 | 0.014 | 55.122 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 406 | VAL | 0 | -0.055 | -0.019 | 57.830 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 407 | ASN | 0 | 0.004 | -0.022 | 60.110 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 408 | THR | 0 | 0.013 | 0.006 | 55.303 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 409 | PRO | 0 | 0.041 | 0.032 | 58.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 410 | LYS | 1 | 0.878 | 0.964 | 60.839 | 4.752 | 4.752 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 411 | ARG | 1 | 0.864 | 0.943 | 63.224 | 4.798 | 4.798 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 412 | GLU | -1 | -0.784 | -0.863 | 65.778 | -4.271 | -4.271 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 413 | ILE | 0 | 0.014 | 0.015 | 64.448 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 414 | GLY | 0 | 0.024 | 0.019 | 64.009 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 415 | PRO | 0 | 0.046 | 0.024 | 61.281 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 416 | ALA | 0 | 0.006 | 0.000 | 63.065 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 417 | THR | 0 | -0.069 | -0.048 | 65.959 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 418 | LEU | 0 | 0.082 | 0.048 | 59.456 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 419 | LYN | 0 | 0.004 | -0.007 | 59.958 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 420 | LYS | 1 | 0.881 | 0.930 | 63.206 | 4.304 | 4.304 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 421 | LEU | 0 | -0.026 | 0.001 | 64.403 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 422 | GLY | 0 | 0.061 | 0.014 | 61.927 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 423 | GLU | -1 | -0.896 | -0.952 | 62.306 | -4.855 | -4.855 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 424 | TRP | 0 | -0.049 | -0.019 | 64.373 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 425 | ALA | 0 | -0.004 | -0.005 | 63.264 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 426 | MET | 0 | 0.004 | 0.006 | 58.284 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 427 | THR | 0 | -0.005 | -0.014 | 62.338 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 428 | ARG | 1 | 0.718 | 0.839 | 65.197 | 4.369 | 4.369 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 429 | ASN | 0 | -0.034 | -0.025 | 61.925 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 430 | LYS | 1 | 0.833 | 0.922 | 61.991 | 4.587 | 4.587 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 431 | SER | 0 | 0.061 | 0.046 | 59.760 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 432 | MET | 0 | -0.045 | -0.046 | 58.576 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 433 | PHE | 0 | -0.009 | 0.015 | 61.464 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 434 | THR | 0 | 0.049 | 0.014 | 63.112 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 435 | ALA | 0 | -0.002 | -0.011 | 64.924 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 436 | SER | 0 | -0.091 | -0.045 | 66.250 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 437 | PHE | 0 | 0.026 | 0.009 | 68.019 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 438 | ASP | -1 | -0.804 | -0.842 | 69.525 | -4.299 | -4.299 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 439 | MET | 0 | 0.051 | 0.005 | 71.385 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 440 | GLY | 0 | -0.030 | -0.003 | 73.899 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 441 | LEU | 0 | 0.010 | -0.007 | 68.131 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 442 | SER | 0 | -0.051 | -0.018 | 72.206 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 443 | GLN | 0 | 0.009 | 0.004 | 75.136 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 444 | THR | 0 | 0.010 | 0.022 | 70.436 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 445 | LEU | 0 | -0.054 | -0.023 | 68.332 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 446 | SER | 0 | 0.033 | 0.011 | 72.467 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 447 | GLY | 0 | 0.017 | 0.007 | 74.087 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 448 | ARG | 1 | 0.917 | 0.929 | 73.187 | 4.091 | 4.091 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 449 | GLY | 0 | 0.015 | 0.013 | 70.394 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 450 | TYR | 0 | 0.029 | 0.014 | 70.451 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 451 | GLU | -1 | -0.884 | -0.940 | 72.513 | -3.999 | -3.999 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 452 | ALA | 0 | -0.037 | -0.015 | 69.455 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 453 | LEU | 0 | 0.009 | 0.004 | 66.198 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 454 | THR | 0 | -0.023 | -0.012 | 68.596 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 455 | ARG | 1 | 0.833 | 0.907 | 70.267 | 4.261 | 4.261 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 456 | PHE | 0 | -0.010 | 0.003 | 61.972 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 457 | THR | 0 | 0.055 | 0.000 | 65.911 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 458 | HIS | 0 | -0.029 | -0.016 | 67.099 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 459 | TRP | 0 | 0.010 | 0.019 | 63.245 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 460 | LEU | 0 | 0.024 | 0.014 | 61.744 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 461 | ALA | 0 | 0.059 | 0.027 | 65.101 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 462 | GLU | -1 | -0.976 | -0.977 | 66.999 | -4.325 | -4.325 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 463 | ILE | 0 | 0.055 | 0.034 | 63.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 464 | GLN | 0 | -0.012 | -0.005 | 62.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 465 | ARG | 1 | 0.802 | 0.873 | 64.461 | 4.346 | 4.346 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 466 | LEU | 0 | 0.003 | 0.025 | 66.628 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 467 | ALA | 0 | 0.034 | -0.010 | 61.606 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 468 | GLU | -1 | -0.881 | -0.927 | 62.725 | -4.830 | -4.830 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 469 | ARG | 1 | 0.728 | 0.849 | 64.508 | 4.607 | 4.607 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 470 | GLU | -1 | -0.860 | -0.923 | 65.187 | -4.663 | -4.663 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 471 | PRO | 0 | -0.017 | 0.001 | 59.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 472 | ILE | 0 | 0.068 | 0.025 | 59.508 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 473 | ALA | 0 | -0.034 | -0.002 | 61.639 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 474 | ALA | 0 | 0.065 | 0.037 | 62.941 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 475 | VAL | 0 | 0.021 | -0.003 | 57.521 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 476 | ARG | 1 | 0.901 | 0.958 | 60.972 | 4.812 | 4.812 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 477 | ASP | -1 | -0.880 | -0.951 | 62.776 | -4.584 | -4.584 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 478 | LEU | 0 | -0.061 | -0.023 | 59.341 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 479 | ILE | 0 | -0.011 | -0.022 | 57.989 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 480 | HIS | 0 | -0.040 | -0.029 | 61.483 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 481 | GLY | 0 | 0.038 | 0.027 | 64.812 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 482 | MET | 0 | -0.176 | -0.067 | 58.579 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 483 | ASP | -1 | -0.791 | -0.867 | 64.221 | -4.724 | -4.724 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 484 | TYR | 0 | -0.016 | -0.040 | 54.946 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 485 | GLU | -1 | -0.870 | -0.937 | 59.815 | -4.961 | -4.961 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 486 | SER | 0 | -0.046 | -0.055 | 60.946 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 487 | TRP | 0 | 0.034 | 0.023 | 56.564 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 488 | LEU | 0 | -0.040 | -0.010 | 55.110 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 489 | TYR | 0 | -0.049 | -0.042 | 57.988 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 490 | GLU | -1 | -0.914 | -0.948 | 60.397 | -4.732 | -4.732 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 491 | THR | 0 | -0.039 | -0.035 | 56.595 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 492 | SER | 0 | -0.089 | -0.062 | 54.234 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 493 | PRO | 0 | -0.044 | -0.017 | 51.960 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 494 | SER | 0 | 0.043 | 0.034 | 54.581 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 495 | PRO | 0 | 0.060 | 0.021 | 56.192 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 496 | LYS | 1 | 0.929 | 0.959 | 52.193 | 5.679 | 5.679 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 497 | ALA | 0 | -0.006 | -0.005 | 52.193 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 498 | ALA | 0 | 0.005 | 0.027 | 53.380 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 499 | GLU | -1 | -0.884 | -0.940 | 54.553 | -5.508 | -5.508 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 500 | MET | 0 | -0.013 | 0.001 | 49.141 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 501 | ARG | 1 | 0.842 | 0.923 | 51.522 | 5.499 | 5.499 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 502 | MET | 0 | 0.061 | 0.030 | 52.766 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 503 | LYS | 1 | 0.915 | 0.972 | 50.193 | 5.894 | 5.894 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 504 | ASN | 0 | -0.049 | -0.042 | 48.862 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 505 | VAL | 0 | 0.055 | 0.025 | 51.084 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 506 | ASN | 0 | 0.012 | -0.005 | 53.738 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 507 | GLN | 0 | 0.020 | 0.017 | 47.862 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 508 | LEU | 0 | -0.011 | 0.002 | 49.012 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 509 | PHE | 0 | -0.004 | 0.002 | 51.399 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 510 | SER | 0 | -0.033 | -0.015 | 52.777 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 511 | TRP | 0 | -0.001 | -0.001 | 44.967 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 512 | MET | 0 | -0.028 | -0.009 | 51.383 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 513 | THR | 0 | -0.029 | -0.024 | 53.292 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 514 | GLU | -1 | -0.754 | -0.880 | 51.097 | -5.911 | -5.911 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 515 | MET | 0 | -0.056 | -0.023 | 48.410 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 516 | LEU | 0 | -0.058 | -0.030 | 52.825 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 517 | GLU | -1 | -0.965 | -0.983 | 56.373 | -5.155 | -5.155 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 518 | GLY | 0 | -0.024 | 0.000 | 54.088 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 519 | SER | 0 | -0.061 | -0.085 | 51.998 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 520 | GLU | -1 | -0.972 | -0.985 | 55.073 | -5.479 | -5.479 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 521 | LEU | 0 | -0.049 | -0.027 | 50.290 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 522 | ASP | -1 | -0.947 | -0.918 | 49.133 | -6.286 | -6.286 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 523 | GLU | -1 | -0.928 | -0.968 | 52.024 | -5.452 | -5.452 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 524 | PRO | 0 | -0.010 | 0.008 | 53.593 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 525 | MET | 0 | -0.102 | -0.034 | 49.123 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 526 | THR | 0 | 0.048 | -0.014 | 54.375 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 527 | LEU | 0 | 0.080 | 0.025 | 54.750 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 528 | THR | 0 | 0.034 | 0.020 | 54.303 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 529 | GLN | 0 | 0.035 | 0.042 | 51.024 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 530 | VAL | 0 | 0.008 | 0.010 | 49.971 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 531 | VAL | 0 | 0.005 | 0.002 | 49.783 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 532 | THR | 0 | -0.013 | -0.028 | 48.047 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 533 | ARG | 1 | 0.852 | 0.930 | 45.235 | 6.329 | 6.329 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 534 | PHE | 0 | 0.045 | -0.001 | 44.882 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 535 | THR | 0 | -0.054 | -0.032 | 45.155 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 536 | LEU | 0 | -0.016 | 0.004 | 41.566 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 537 | ARG | 1 | 0.730 | 0.858 | 38.608 | 7.227 | 7.227 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 538 | ASP | -1 | -0.784 | -0.847 | 41.202 | -6.498 | -6.498 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 547 | GLU | -1 | -0.853 | -0.926 | 26.913 | -9.362 | -9.362 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 548 | GLU | -1 | -0.961 | -0.965 | 25.830 | -10.714 | -10.714 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 549 | LEU | 0 | 0.000 | -0.003 | 27.742 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 550 | ASP | -1 | -0.807 | -0.884 | 27.903 | -10.436 | -10.436 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 551 | GLN | 0 | -0.003 | -0.029 | 28.982 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 552 | VAL | 0 | 0.021 | 0.028 | 29.184 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 553 | GLN | 0 | 0.021 | 0.022 | 26.559 | 0.452 | 0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 554 | LEU | 0 | -0.012 | 0.004 | 29.341 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 555 | MET | 0 | -0.036 | -0.017 | 26.085 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 556 | THR | 0 | 0.071 | 0.036 | 32.110 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 557 | LEU | 0 | 0.051 | 0.020 | 29.024 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 558 | HIS | 0 | 0.020 | 0.036 | 28.658 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 559 | ALA | 0 | -0.005 | -0.004 | 28.937 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 560 | SER | 0 | -0.054 | -0.038 | 26.238 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 561 | LYS | 1 | 0.824 | 0.904 | 24.184 | 10.385 | 10.385 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 562 | GLY | 0 | -0.053 | -0.024 | 20.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 563 | LEU | 0 | -0.063 | -0.031 | 19.443 | -0.683 | -0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 564 | GLU | -1 | -0.826 | -0.901 | 15.731 | -16.535 | -16.535 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 565 | PHE | 0 | 0.040 | 0.010 | 20.298 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 566 | PRO | 0 | -0.010 | 0.006 | 20.399 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 567 | TYR | 0 | 0.022 | -0.001 | 21.876 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 568 | VAL | 0 | -0.001 | 0.009 | 24.673 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 569 | TYR | 0 | 0.050 | 0.024 | 27.423 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 570 | MET | 0 | -0.048 | -0.008 | 29.326 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 571 | VAL | 0 | -0.017 | -0.011 | 32.071 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 572 | GLY | 0 | 0.000 | -0.012 | 35.795 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 573 | MET | 0 | -0.071 | -0.020 | 33.420 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 574 | GLU | -1 | -0.674 | -0.815 | 37.648 | -7.134 | -7.134 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 575 | GLU | -1 | -0.726 | -0.865 | 40.089 | -7.609 | -7.609 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 576 | GLY | 0 | 0.046 | 0.022 | 41.016 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 577 | PHE | 0 | -0.025 | -0.011 | 39.998 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 578 | LEU | 0 | -0.011 | -0.009 | 33.398 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 579 | PRO | 0 | -0.051 | -0.031 | 36.910 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 580 | HIS | 0 | -0.036 | -0.018 | 38.960 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 581 | GLN | 0 | -0.020 | -0.022 | 40.951 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 582 | SER | 0 | -0.067 | -0.032 | 43.604 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 583 | SER | 0 | 0.028 | -0.020 | 39.164 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 584 | ILE | 0 | -0.090 | -0.035 | 41.435 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 585 | ASP | -1 | -0.883 | -0.930 | 43.411 | -6.309 | -6.309 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 586 | GLU | -1 | -0.927 | -0.956 | 42.728 | -6.876 | -6.876 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 587 | ASP | -1 | -0.933 | -0.958 | 42.811 | -6.866 | -6.866 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 588 | ASN | 0 | -0.079 | -0.032 | 37.746 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 589 | ILE | 0 | 0.039 | 0.009 | 36.618 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 590 | ASP | -1 | -0.832 | -0.927 | 33.549 | -8.620 | -8.620 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 591 | GLU | -1 | -0.780 | -0.855 | 32.259 | -9.249 | -9.249 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 592 | GLU | -1 | -0.699 | -0.806 | 32.395 | -8.335 | -8.335 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 593 | ARG | 1 | 0.757 | 0.854 | 30.663 | 8.575 | 8.575 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 594 | ARG | 1 | 0.816 | 0.914 | 28.300 | 9.101 | 9.101 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 595 | LEU | 0 | -0.027 | -0.012 | 28.158 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 596 | ALA | 0 | 0.018 | 0.012 | 29.246 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 597 | TYR | 0 | 0.035 | 0.015 | 21.578 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 598 | VAL | 0 | -0.038 | -0.001 | 24.478 | -0.596 | -0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 599 | GLY | 0 | 0.019 | 0.009 | 24.507 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 600 | ILE | 0 | 0.021 | 0.008 | 24.297 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 601 | THR | 0 | -0.057 | -0.042 | 20.625 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 602 | ARG | 1 | 0.785 | 0.882 | 20.424 | 11.695 | 11.695 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 603 | ALA | 0 | 0.012 | 0.019 | 21.766 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 604 | GLN | 0 | -0.089 | -0.046 | 16.712 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 605 | LYS | 1 | 0.923 | 0.958 | 19.626 | 13.494 | 13.494 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 606 | GLU | -1 | -0.843 | -0.916 | 21.559 | -11.011 | -11.011 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 607 | LEU | 0 | 0.010 | -0.001 | 25.154 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 608 | THR | 0 | -0.049 | -0.013 | 27.507 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 609 | PHE | 0 | 0.043 | 0.010 | 29.358 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 610 | THR | 0 | -0.053 | -0.056 | 33.622 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 611 | LEU | 0 | 0.007 | 0.015 | 37.086 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 612 | CYS | 0 | -0.081 | -0.017 | 40.267 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 613 | LYS | 1 | 0.908 | 0.953 | 43.950 | 6.656 | 6.656 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 614 | GLU | -1 | -0.881 | -0.920 | 46.759 | -5.731 | -5.731 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 615 | ARG | 1 | 0.724 | 0.800 | 41.552 | 6.896 | 6.896 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 616 | ARG | 1 | 0.858 | 0.921 | 48.978 | 5.638 | 5.638 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 617 | GLN | 0 | -0.041 | -0.005 | 51.285 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 618 | TYR | 0 | 0.056 | 0.015 | 52.399 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 619 | GLY | 0 | 0.005 | 0.012 | 55.580 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 620 | GLU | -1 | -0.881 | -0.940 | 55.604 | -5.473 | -5.473 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 621 | LEU | 0 | -0.059 | -0.027 | 53.185 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 622 | VAL | 0 | 0.037 | 0.020 | 49.701 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 623 | ARG | 1 | 0.858 | 0.894 | 49.661 | 5.713 | 5.713 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 624 | PRO | 0 | -0.044 | -0.011 | 45.191 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 625 | GLU | -1 | -0.863 | -0.923 | 43.792 | -6.736 | -6.736 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 626 | PRO | 0 | -0.035 | -0.026 | 40.153 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 627 | SER | 0 | -0.008 | 0.005 | 37.141 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 628 | ARG | 1 | 0.914 | 0.924 | 37.244 | 7.280 | 7.280 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 629 | PHE | 0 | -0.009 | -0.009 | 32.952 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 630 | LEU | 0 | -0.020 | -0.011 | 33.435 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 631 | LEU | 0 | -0.012 | -0.013 | 35.059 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 632 | GLU | -1 | -0.796 | -0.869 | 33.141 | -8.699 | -8.699 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 633 | LEU | 0 | -0.016 | 0.000 | 29.394 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 634 | PRO | 0 | -0.043 | -0.002 | 27.581 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 635 | GLN | 0 | 0.046 | -0.006 | 30.891 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 636 | ASP | -1 | -0.875 | -0.930 | 30.091 | -10.007 | -10.007 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 637 | ASP | -1 | -0.798 | -0.848 | 27.356 | -11.553 | -11.553 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 638 | LEU | 0 | -0.053 | -0.011 | 29.981 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 639 | ILE | 0 | -0.011 | -0.006 | 32.720 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 640 | TRP | 0 | 0.047 | 0.009 | 35.529 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 641 | GLU | -1 | -0.789 | -0.851 | 38.495 | -7.615 | -7.615 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 642 | GLN | 0 | -0.030 | -0.018 | 40.879 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |