
FMODB ID: 15N6Z
Calculation Name: 3U1V-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
PDB ID: 3U1V
Chain ID: A
Base Structure: X-ray
Registration Date: 2025-07-14
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
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 | 620 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4916110.318037 |
---|---|
FMO2-HF: Nuclear repulsion | 4785827.980176 |
FMO2-HF: Total energy | -130282.337862 |
FMO2-MP2: Total energy | -130658.249352 |
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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-1.02 | 1.846 | -0.011 | -1.495 | -1.359 | 0.005 |
Interaction energy analysis for fragmet #1(A:1:MET)
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]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4 | A | 2 | LYS | 1 | 0.811 | 1.011 | 4.044 | 2.009 | 2.471 | 0.004 | -0.198 | -0.268 | 0.000 |
5 | A | 3 | THR | 0 | 0.056 | -0.096 | 3.888 | -2.158 | -0.053 | -0.011 | -1.248 | -0.846 | 0.005 |
6 | A | 3 | THR | 0 | -0.046 | 0.097 | 6.892 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 4 | ILE | 0 | 0.074 | -0.090 | 6.841 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 4 | ILE | 0 | -0.120 | 0.077 | 7.972 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 5 | PHE | 0 | 0.120 | -0.079 | 9.789 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 5 | PHE | 0 | -0.084 | 0.111 | 12.684 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 6 | SER | 0 | 0.041 | -0.090 | 13.039 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 6 | SER | 0 | -0.094 | 0.052 | 15.023 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 7 | ALA | 0 | 0.111 | -0.070 | 16.044 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 7 | ALA | 0 | -0.091 | 0.090 | 19.385 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 8 | ILE | 0 | -0.001 | -0.139 | 19.526 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 8 | ILE | 0 | -0.079 | 0.112 | 19.356 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 9 | CYS | 0 | 0.167 | -0.072 | 22.216 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 9 | CYS | 0 | -0.127 | 0.096 | 26.199 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 10 | PRO | 0 | -0.015 | -0.089 | 25.830 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 11 | THR | 0 | 0.038 | 0.019 | 27.563 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 11 | THR | 0 | -0.044 | 0.067 | 29.598 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 12 | GLY | 0 | -0.022 | -0.111 | 29.703 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 13 | VAL | 0 | 0.039 | -0.013 | 30.582 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 13 | VAL | 0 | -0.050 | 0.109 | 31.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 14 | ILE | 0 | 0.068 | -0.119 | 27.185 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 14 | ILE | 0 | -0.044 | 0.125 | 24.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 15 | THR | 0 | 0.096 | -0.055 | 28.341 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 15 | THR | 0 | -0.057 | 0.047 | 29.338 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 16 | ILE | 0 | 0.084 | -0.109 | 27.547 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 16 | ILE | 0 | -0.007 | 0.155 | 28.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 17 | GLY | 0 | 0.041 | -0.085 | 26.957 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 18 | ARG | 0 | 0.048 | -0.003 | 24.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 18 | ARG | 1 | 0.884 | 1.072 | 23.555 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 19 | TYR | 0 | 0.088 | -0.125 | 22.973 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 19 | TYR | 0 | -0.019 | 0.122 | 23.000 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 20 | ILE | 0 | -0.045 | -0.123 | 22.654 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 20 | ILE | 0 | -0.039 | 0.137 | 24.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 21 | GLY | 0 | 0.061 | -0.092 | 22.102 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 22 | ALA | 0 | 0.058 | 0.021 | 19.063 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 22 | ALA | 0 | -0.103 | 0.061 | 19.959 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 23 | LEU | 0 | 0.103 | -0.077 | 18.185 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 23 | LEU | 0 | -0.108 | 0.104 | 18.695 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 24 | ARG | 0 | 0.160 | -0.088 | 18.476 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 24 | ARG | 1 | 0.769 | 1.008 | 20.069 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 25 | GLN | 0 | 0.126 | -0.062 | 16.191 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 25 | GLN | 0 | -0.079 | 0.075 | 15.134 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 26 | PHE | 0 | 0.050 | -0.074 | 13.566 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 26 | PHE | 0 | -0.089 | 0.082 | 11.940 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 27 | VAL | 0 | 0.122 | -0.082 | 13.740 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 27 | VAL | 0 | -0.093 | 0.108 | 17.469 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 28 | GLU | 0 | 0.062 | -0.115 | 13.566 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 28 | GLU | -1 | -0.991 | -0.850 | 13.470 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 29 | LEU | 0 | 0.090 | -0.076 | 10.073 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 29 | LEU | 0 | -0.095 | 0.063 | 10.127 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 30 | GLN | 0 | 0.134 | -0.099 | 8.764 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 30 | GLN | 0 | -0.128 | 0.091 | 11.282 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 31 | HIS | 0 | -0.027 | -0.104 | 8.824 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 31 | HIS | 1 | 0.721 | 0.975 | 10.400 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 32 | GLU | 0 | 0.096 | -0.136 | 6.100 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 32 | GLU | -1 | -0.961 | -0.858 | 6.461 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 33 | TYR | 0 | -0.059 | -0.112 | 4.269 | 0.252 | 0.461 | -0.001 | -0.039 | -0.169 | 0.000 |
62 | A | 33 | TYR | 0 | -0.103 | 0.060 | 5.476 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 34 | ASN | 0 | 0.273 | -0.010 | 4.661 | 0.445 | 0.491 | -0.002 | -0.005 | -0.039 | 0.000 |
64 | A | 34 | ASN | 0 | -0.157 | 0.050 | 4.806 | 0.251 | 0.295 | -0.001 | -0.005 | -0.037 | 0.000 |
65 | A | 35 | CYS | 0 | 0.064 | -0.133 | 6.015 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 35 | CYS | 0 | -0.148 | 0.123 | 8.365 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 36 | TYR | 0 | 0.056 | -0.091 | 9.629 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 36 | TYR | 0 | -0.045 | 0.093 | 10.070 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 37 | PHE | 0 | 0.089 | -0.075 | 12.746 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 37 | PHE | 0 | -0.103 | 0.082 | 13.096 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 38 | CYS | 0 | 0.204 | -0.091 | 16.090 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 38 | CYS | 0 | -0.142 | 0.114 | 17.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 39 | ILE | 0 | 0.130 | -0.091 | 18.766 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 39 | ILE | 0 | -0.103 | 0.113 | 21.502 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 40 | ALA | 0 | 0.142 | -0.068 | 22.471 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 40 | ALA | 0 | -0.117 | 0.086 | 22.847 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 41 | ASP | 0 | 0.113 | -0.124 | 24.210 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 41 | ASP | -1 | -0.820 | -0.749 | 26.500 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 42 | GLN | 0 | 0.044 | -0.131 | 26.812 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 42 | GLN | 0 | -0.065 | 0.099 | 26.359 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 43 | SER | 0 | 0.073 | -0.083 | 27.075 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 43 | SER | 0 | -0.012 | 0.064 | 25.864 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 44 | ALA | 0 | 0.041 | -0.082 | 28.223 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 44 | ALA | 0 | -0.082 | 0.103 | 29.520 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 45 | ILE | 0 | 0.020 | -0.109 | 30.635 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 45 | ILE | 0 | -0.071 | 0.104 | 31.593 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 46 | THR | 0 | 0.009 | -0.091 | 32.606 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 46 | THR | 0 | -0.060 | 0.060 | 31.294 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 47 | VAL | 0 | 0.038 | -0.097 | 34.044 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 47 | VAL | 0 | -0.076 | 0.096 | 34.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 48 | TRP | 0 | 0.159 | -0.070 | 36.233 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 48 | TRP | 0 | -0.057 | 0.093 | 40.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 49 | GLN | 0 | -0.039 | -0.139 | 35.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 49 | GLN | 0 | -0.054 | 0.093 | 33.815 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 50 | ASP | 0 | 0.090 | -0.092 | 37.229 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 50 | ASP | -1 | -0.910 | -0.820 | 39.345 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 51 | PRO | 0 | -0.009 | -0.098 | 37.062 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 52 | HIS | 0 | 0.144 | 0.037 | 36.637 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 52 | HIS | 0 | -0.097 | 0.079 | 39.562 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 53 | GLU | 0 | 0.110 | -0.088 | 36.852 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 53 | GLU | -1 | -0.925 | -0.799 | 36.375 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 54 | LEU | 0 | 0.065 | -0.131 | 33.403 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 54 | LEU | 0 | -0.091 | 0.103 | 31.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 55 | ARG | 0 | 0.082 | -0.091 | 31.995 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 55 | ARG | 1 | 0.888 | 1.076 | 32.664 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 56 | GLN | 0 | 0.075 | -0.110 | 32.044 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 56 | GLN | 0 | -0.066 | 0.113 | 34.727 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 57 | ASN | 0 | 0.073 | -0.092 | 31.289 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 57 | ASN | 0 | -0.084 | 0.095 | 30.768 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 58 | ILE | 0 | 0.132 | -0.093 | 27.686 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 58 | ILE | 0 | -0.098 | 0.109 | 26.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 59 | ARG | 0 | 0.096 | -0.075 | 26.826 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 59 | ARG | 1 | 0.782 | 1.004 | 28.993 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 60 | ARG | 0 | 0.068 | -0.075 | 27.670 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 60 | ARG | 1 | 0.703 | 0.953 | 30.203 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 61 | LEU | 0 | 0.136 | -0.094 | 26.030 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 61 | LEU | 0 | -0.098 | 0.120 | 23.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 62 | ALA | 0 | 0.085 | -0.114 | 23.083 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 62 | ALA | 0 | -0.017 | 0.126 | 23.750 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 63 | ALA | 0 | 0.095 | -0.089 | 23.320 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 63 | ALA | 0 | -0.041 | 0.124 | 27.410 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 64 | LEU | 0 | 0.100 | -0.079 | 25.018 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 64 | LEU | 0 | -0.132 | 0.071 | 25.469 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 65 | TYR | 0 | 0.047 | -0.121 | 20.918 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 65 | TYR | 0 | -0.086 | 0.083 | 18.414 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 66 | LEU | 0 | 0.083 | -0.106 | 20.364 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 66 | LEU | 0 | -0.043 | 0.128 | 19.549 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 67 | ALA | 0 | 0.034 | -0.133 | 21.650 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 67 | ALA | 0 | -0.065 | 0.131 | 25.657 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 68 | VAL | 0 | -0.002 | -0.135 | 22.251 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 68 | VAL | 0 | -0.121 | 0.084 | 20.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 69 | GLY | 0 | 0.023 | -0.112 | 19.529 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 70 | ILE | 0 | 0.039 | 0.017 | 16.166 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 70 | ILE | 0 | -0.095 | 0.091 | 15.095 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 71 | ASP | 0 | 0.182 | -0.096 | 15.114 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 71 | ASP | -1 | -0.909 | -0.775 | 14.334 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 72 | PRO | 0 | 0.012 | -0.091 | 14.283 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 73 | THR | 0 | -0.026 | -0.015 | 14.835 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 73 | THR | 0 | -0.039 | 0.043 | 15.170 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 74 | GLN | 0 | 0.008 | -0.099 | 10.823 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 74 | GLN | 0 | -0.071 | 0.097 | 10.395 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 75 | ALA | 0 | 0.094 | -0.071 | 9.860 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 75 | ALA | 0 | -0.078 | 0.088 | 12.054 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 76 | THR | 0 | -0.024 | -0.116 | 11.945 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 76 | THR | 0 | -0.056 | 0.082 | 11.774 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 77 | LEU | 0 | 0.134 | -0.099 | 14.019 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 77 | LEU | 0 | -0.116 | 0.113 | 17.274 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 78 | PHE | 0 | 0.102 | -0.073 | 17.410 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 78 | PHE | 0 | -0.054 | 0.092 | 15.968 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 79 | ILE | 0 | 0.106 | -0.096 | 19.926 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 79 | ILE | 0 | -0.073 | 0.123 | 23.666 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 80 | ALA | 0 | 0.172 | -0.063 | 22.007 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 80 | ALA | 0 | -0.098 | 0.084 | 22.556 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 81 | SER | 0 | -0.008 | -0.110 | 22.982 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 81 | SER | 0 | -0.083 | 0.016 | 27.694 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 82 | GLU | 0 | -0.041 | -0.140 | 24.726 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 82 | GLU | -1 | -0.907 | -0.816 | 23.711 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 83 | VAL | 0 | 0.069 | -0.109 | 21.638 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 83 | VAL | 0 | -0.158 | 0.095 | 19.856 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 84 | PRO | 0 | 0.054 | -0.097 | 23.116 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 85 | ALA | 0 | 0.166 | 0.017 | 22.245 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 85 | ALA | 0 | -0.060 | 0.114 | 21.583 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 86 | HIS | 0 | 0.053 | -0.121 | 22.560 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 86 | HIS | 0 | -0.048 | 0.090 | 18.853 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 87 | ALA | 0 | 0.121 | -0.074 | 23.336 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 87 | ALA | 0 | -0.092 | 0.099 | 28.099 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 88 | GLN | 0 | 0.008 | -0.115 | 26.233 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 88 | GLN | 0 | -0.063 | 0.090 | 25.457 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 89 | ALA | 0 | 0.080 | -0.110 | 23.164 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 89 | ALA | 0 | -0.043 | 0.119 | 22.753 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 90 | ALA | 0 | 0.104 | -0.124 | 24.684 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 90 | ALA | 0 | -0.037 | 0.130 | 25.748 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 91 | TRP | 0 | 0.055 | -0.080 | 26.417 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 91 | TRP | 0 | -0.055 | 0.096 | 29.701 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 92 | MET | 0 | 0.073 | -0.095 | 27.369 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 92 | MET | 0 | -0.066 | 0.118 | 25.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 93 | LEU | 0 | 0.035 | -0.138 | 25.949 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 93 | LEU | 0 | -0.064 | 0.121 | 22.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 94 | GLN | 0 | 0.145 | -0.077 | 27.144 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 94 | GLN | 0 | -0.111 | 0.092 | 30.270 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 95 | CYS | 0 | 0.024 | -0.141 | 30.394 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 95 | CYS | 0 | -0.158 | 0.076 | 31.322 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 96 | ILE | 0 | -0.014 | -0.114 | 28.583 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 96 | ILE | 0 | -0.120 | 0.071 | 27.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 97 | VAL | 0 | 0.092 | -0.096 | 30.010 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 97 | VAL | 0 | -0.072 | 0.104 | 29.052 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 98 | TYR | 0 | 0.101 | -0.076 | 30.636 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 98 | TYR | 0 | -0.157 | 0.056 | 32.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 99 | ILE | 0 | 0.092 | -0.113 | 33.684 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 99 | ILE | 0 | -0.005 | 0.141 | 37.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 100 | GLY | 0 | 0.066 | -0.078 | 35.977 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 101 | GLU | 0 | 0.054 | -0.046 | 31.856 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 101 | GLU | -1 | -0.833 | -0.716 | 30.869 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 102 | LEU | 0 | 0.022 | -0.146 | 32.181 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 102 | LEU | 0 | -0.041 | 0.126 | 30.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 103 | GLU | 0 | 0.101 | -0.114 | 33.121 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 103 | GLU | -1 | -0.991 | -0.834 | 37.554 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 104 | ARG | 0 | 0.010 | -0.078 | 35.299 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 104 | ARG | 1 | 0.859 | 1.036 | 31.357 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 105 | MET | 0 | 0.062 | -0.143 | 31.988 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 105 | MET | 0 | -0.084 | 0.125 | 28.999 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 106 | THR | 0 | 0.020 | -0.108 | 32.431 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 106 | THR | 0 | -0.068 | 0.053 | 32.561 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 107 | LEU | 0 | 0.179 | -0.056 | 31.974 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 107 | LEU | 0 | -0.106 | 0.092 | 30.074 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 108 | PHE | 0 | 0.108 | -0.086 | 33.331 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 108 | PHE | 0 | -0.054 | 0.110 | 34.212 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 109 | LYS | 0 | 0.090 | -0.043 | 35.282 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 109 | LYS | 1 | 0.806 | 1.042 | 35.710 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 110 | GLU | 0 | 0.055 | -0.076 | 36.766 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 110 | GLU | -1 | -1.012 | -0.893 | 34.418 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 111 | LEU | 0 | 0.073 | -0.066 | 37.072 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 111 | LEU | 0 | -0.132 | 0.071 | 34.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 112 | SER | 0 | 0.051 | -0.083 | 38.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 112 | SER | 0 | -0.079 | 0.019 | 38.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 113 | ALA | 0 | 0.120 | -0.081 | 40.517 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 113 | ALA | 0 | -0.071 | 0.102 | 42.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 114 | GLY | 0 | -0.068 | -0.130 | 43.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 115 | LYS | 0 | 0.083 | 0.006 | 45.029 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 115 | LYS | 1 | 0.778 | 0.998 | 40.984 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 116 | GLU | 0 | 0.040 | -0.101 | 45.982 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 116 | GLU | -1 | -0.950 | -0.834 | 48.218 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 117 | ALA | 0 | 0.098 | -0.109 | 45.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 117 | ALA | 0 | -0.115 | 0.105 | 46.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 118 | VAL | 0 | 0.013 | -0.122 | 41.501 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 118 | VAL | 0 | -0.052 | 0.115 | 39.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 119 | SER | 0 | 0.046 | -0.078 | 38.980 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 119 | SER | 0 | -0.034 | 0.065 | 37.404 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 120 | ALA | 0 | 0.121 | -0.100 | 37.718 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 120 | ALA | 0 | -0.054 | 0.127 | 37.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 121 | GLY | 0 | -0.002 | -0.086 | 34.037 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 122 | LEU | 0 | 0.050 | -0.036 | 33.037 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 122 | LEU | 0 | -0.049 | 0.120 | 34.145 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 123 | LEU | 0 | 0.094 | -0.095 | 33.440 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 123 | LEU | 0 | -0.100 | 0.113 | 35.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 124 | THR | 0 | -0.043 | -0.137 | 32.051 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 124 | THR | 0 | -0.039 | 0.082 | 32.299 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 125 | HIS | 0 | 0.156 | -0.055 | 29.421 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 125 | HIS | 0 | -0.102 | 0.083 | 25.998 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 126 | PRO | 0 | -0.009 | -0.095 | 26.548 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 127 | PRO | 0 | 0.048 | 0.020 | 25.257 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 128 | ILE | 0 | 0.140 | 0.059 | 24.698 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 128 | ILE | 0 | -0.090 | 0.081 | 25.408 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 129 | TYR | 0 | 0.099 | -0.082 | 22.829 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 129 | TYR | 0 | -0.113 | 0.058 | 20.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 130 | ALA | 0 | 0.135 | -0.105 | 20.990 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 130 | ALA | 0 | -0.081 | 0.100 | 22.228 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 131 | ALA | 0 | 0.092 | -0.119 | 20.159 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 131 | ALA | 0 | -0.060 | 0.118 | 22.526 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 132 | MET | 0 | 0.027 | -0.107 | 19.398 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 132 | MET | 0 | -0.116 | 0.068 | 19.171 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 133 | ILE | 0 | 0.049 | -0.074 | 16.084 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 133 | ILE | 0 | -0.102 | 0.088 | 15.333 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 134 | LEU | 0 | 0.111 | -0.088 | 15.128 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 134 | LEU | 0 | -0.100 | 0.119 | 16.668 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 135 | LEU | 0 | 0.033 | -0.123 | 16.043 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 135 | LEU | 0 | -0.070 | 0.109 | 17.592 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 136 | TYR | 0 | 0.040 | -0.094 | 13.036 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 136 | TYR | 0 | -0.102 | 0.096 | 12.083 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 137 | ASN | 0 | 0.141 | -0.052 | 11.184 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 137 | ASN | 0 | -0.126 | 0.086 | 10.965 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 138 | THR | 0 | 0.015 | -0.121 | 10.074 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 138 | THR | 0 | -0.101 | 0.053 | 11.495 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 139 | ASP | 0 | 0.175 | -0.070 | 8.240 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 139 | ASP | -1 | -0.868 | -0.809 | 6.741 | -2.869 | -2.869 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 140 | ILE | 0 | 0.048 | -0.034 | 9.697 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 140 | ILE | 0 | -0.099 | 0.078 | 7.676 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 141 | VAL | 0 | 0.109 | -0.123 | 11.147 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 141 | VAL | 0 | -0.040 | 0.136 | 14.163 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 142 | PRO | 0 | -0.021 | -0.122 | 14.148 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 143 | VAL | 0 | 0.048 | 0.003 | 16.605 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 143 | VAL | 0 | -0.097 | 0.125 | 17.959 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 144 | GLY | 0 | -0.008 | -0.126 | 19.859 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 145 | GLU | 0 | 0.094 | 0.026 | 22.116 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 145 | GLU | -1 | -0.898 | -0.789 | 25.917 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 146 | TYR | 0 | 0.115 | -0.094 | 25.879 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 146 | TYR | 0 | -0.059 | 0.103 | 27.618 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 147 | GLY | 0 | 0.022 | -0.095 | 23.606 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 148 | LYS | 0 | 0.115 | 0.026 | 23.677 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 148 | LYS | 1 | 0.734 | 1.011 | 22.340 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 149 | GLN | 0 | 0.128 | -0.107 | 24.524 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 149 | GLN | 0 | -0.028 | 0.140 | 28.372 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 150 | LEU | 0 | 0.110 | -0.077 | 24.696 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 150 | LEU | 0 | -0.095 | 0.099 | 23.683 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 151 | TYR | 0 | 0.138 | -0.066 | 20.823 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 151 | TYR | 0 | -0.104 | 0.091 | 16.888 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 152 | GLU | 0 | 0.129 | -0.097 | 21.393 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 152 | GLU | -1 | -0.876 | -0.783 | 22.838 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 153 | LEU | 0 | 0.131 | -0.080 | 23.546 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 153 | LEU | 0 | -0.110 | 0.091 | 25.524 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 154 | THR | 0 | 0.040 | -0.088 | 20.829 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 154 | THR | 0 | -0.071 | 0.051 | 18.990 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 155 | ARG | 0 | 0.100 | -0.042 | 19.755 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 155 | ARG | 1 | 0.742 | 0.989 | 17.510 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 156 | ASP | 0 | 0.142 | -0.121 | 20.634 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 156 | ASP | -1 | -1.036 | -0.863 | 25.440 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 157 | LEU | 0 | -0.019 | -0.113 | 23.894 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 157 | LEU | 0 | -0.071 | 0.093 | 23.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 158 | ALA | 0 | 0.120 | -0.103 | 19.535 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 158 | ALA | 0 | -0.035 | 0.102 | 18.741 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 159 | GLU | 0 | 0.099 | -0.090 | 20.886 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 159 | GLU | -1 | -0.954 | -0.819 | 20.749 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 160 | ARG | 0 | 0.033 | -0.138 | 22.409 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 160 | ARG | 1 | 0.682 | 0.955 | 26.308 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 161 | PHE | 0 | 0.049 | -0.125 | 24.082 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 161 | PHE | 0 | -0.050 | 0.085 | 22.250 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 162 | ASN | 0 | 0.052 | -0.083 | 21.398 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 162 | ASN | 0 | -0.039 | 0.090 | 18.171 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 163 | LYS | 0 | 0.174 | -0.032 | 22.641 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 163 | LYS | 1 | 0.734 | 1.007 | 25.502 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 164 | ARG | 0 | 0.115 | -0.042 | 25.653 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 164 | ARG | 1 | 0.752 | 0.981 | 27.773 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 165 | TYR | 0 | -0.021 | -0.118 | 26.514 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 165 | TYR | 0 | -0.046 | 0.094 | 25.529 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 166 | GLY | 0 | 0.022 | -0.082 | 23.727 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 167 | GLU | 0 | 0.100 | -0.024 | 19.603 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 167 | GLU | -1 | -1.036 | -0.851 | 16.453 | -0.355 | -0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 168 | LEU | 0 | 0.041 | -0.103 | 17.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 168 | LEU | 0 | -0.118 | 0.071 | 17.592 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 169 | PHE | 0 | -0.004 | -0.126 | 16.302 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 169 | PHE | 0 | -0.070 | 0.094 | 17.506 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 170 | THR | 0 | 0.179 | -0.054 | 12.679 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 170 | THR | 0 | -0.084 | 0.069 | 10.770 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 171 | ILE | 0 | -0.022 | -0.147 | 14.085 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 171 | ILE | 0 | -0.115 | 0.134 | 15.999 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 172 | PRO | 0 | 0.005 | -0.098 | 13.112 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 173 | GLU | 0 | 0.099 | -0.031 | 12.874 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 173 | GLU | -1 | -0.930 | -0.778 | 12.668 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 174 | ALA | 0 | 0.134 | -0.116 | 13.677 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 174 | ALA | 0 | -0.105 | 0.090 | 17.669 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 175 | ARG | 0 | 0.045 | -0.103 | 14.104 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 175 | ARG | 1 | 0.829 | 1.061 | 9.894 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 176 | ILE | 0 | 0.053 | -0.138 | 14.800 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 176 | ILE | 0 | -0.072 | 0.134 | 14.032 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 177 | PRO | 0 | -0.015 | -0.116 | 16.431 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 178 | LYS | 0 | 0.097 | 0.044 | 18.336 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 178 | LYS | 1 | 0.774 | 0.989 | 17.636 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 179 | VAL | 0 | 0.112 | -0.105 | 18.952 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 179 | VAL | 0 | -0.073 | 0.133 | 20.689 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 180 | GLY | 0 | -0.002 | -0.111 | 22.076 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 181 | ALA | 0 | 0.105 | 0.027 | 24.970 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 181 | ALA | 0 | -0.074 | 0.095 | 29.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 182 | ARG | 0 | 0.028 | -0.132 | 26.627 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 182 | ARG | 1 | 0.762 | 1.017 | 24.751 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 183 | ILE | 0 | 0.077 | -0.097 | 28.241 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 183 | ILE | 0 | -0.083 | 0.107 | 27.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 184 | MET | 0 | 0.096 | -0.109 | 30.039 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 184 | MET | 0 | -0.096 | 0.106 | 32.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 185 | SER | 0 | 0.067 | -0.080 | 33.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 185 | SER | 0 | -0.033 | 0.081 | 36.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 186 | LEU | 0 | 0.068 | -0.113 | 36.185 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 186 | LEU | 0 | -0.077 | 0.113 | 35.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 187 | VAL | 0 | 0.016 | -0.092 | 38.422 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 187 | VAL | 0 | -0.114 | 0.071 | 40.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 188 | ASP | 0 | 0.143 | -0.105 | 39.679 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 188 | ASP | -1 | -0.860 | -0.785 | 40.312 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 189 | PRO | 0 | -0.014 | -0.063 | 37.324 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 190 | THR | 0 | 0.038 | 0.059 | 37.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 190 | THR | 0 | -0.020 | 0.069 | 39.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 191 | LYS | 0 | 0.031 | -0.157 | 35.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 191 | LYS | 1 | 0.784 | 1.027 | 36.604 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 192 | SER | 0 | 0.061 | -0.089 | 31.733 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 192 | SER | 0 | -0.011 | 0.075 | 30.851 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 193 | MET | 0 | 0.080 | -0.074 | 31.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 193 | MET | 0 | -0.159 | 0.093 | 31.244 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 194 | TYR | 0 | 0.025 | -0.130 | 30.938 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 194 | TYR | 0 | -0.117 | 0.072 | 29.794 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 195 | GLN | 0 | 0.147 | -0.105 | 31.663 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 195 | GLN | 0 | -0.034 | 0.117 | 29.496 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 196 | SER | 0 | -0.032 | -0.065 | 33.176 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 196 | SER | 0 | -0.033 | 0.074 | 34.146 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 197 | ASP | 0 | 0.072 | -0.124 | 35.405 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 197 | ASP | -1 | -0.924 | -0.821 | 36.551 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 198 | PRO | 0 | -0.022 | -0.113 | 37.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 199 | ASN | 0 | 0.158 | 0.035 | 41.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 199 | ASN | 0 | -0.127 | 0.094 | 41.602 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 200 | PRO | 0 | 0.044 | -0.085 | 39.333 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 201 | LYS | 0 | 0.067 | -0.004 | 39.406 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 201 | LYS | 1 | 0.835 | 1.026 | 42.373 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 202 | ALA | 0 | 0.065 | -0.122 | 38.279 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 202 | ALA | 0 | -0.022 | 0.132 | 37.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 203 | TYR | 0 | 0.065 | -0.078 | 34.517 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 203 | TYR | 0 | -0.063 | 0.098 | 33.546 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 204 | ILE | 0 | 0.080 | -0.105 | 33.571 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 204 | ILE | 0 | -0.055 | 0.123 | 32.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 205 | THR | 0 | 0.026 | -0.135 | 31.855 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 205 | THR | 0 | -0.050 | 0.067 | 31.817 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 206 | LEU | 0 | 0.057 | -0.075 | 28.863 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 206 | LEU | 0 | -0.094 | 0.115 | 25.709 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 207 | LEU | 0 | 0.090 | -0.078 | 30.309 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 207 | LEU | 0 | -0.078 | 0.093 | 30.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 208 | ASP | 0 | 0.106 | -0.067 | 32.909 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 208 | ASP | -1 | -0.864 | -0.808 | 35.408 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 209 | ASP | 0 | 0.115 | -0.045 | 35.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 209 | ASP | -1 | -0.837 | -0.800 | 39.484 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 210 | ALA | 0 | 0.196 | -0.074 | 38.486 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 210 | ALA | 0 | -0.067 | 0.129 | 39.799 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 211 | LYS | 0 | 0.130 | -0.065 | 39.927 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 211 | LYS | 1 | 0.848 | 1.049 | 43.830 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 212 | THR | 0 | -0.019 | -0.120 | 40.609 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 212 | THR | 0 | -0.054 | 0.056 | 39.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 213 | ILE | 0 | 0.085 | -0.086 | 37.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 213 | ILE | 0 | -0.043 | 0.128 | 35.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 214 | GLU | 0 | 0.153 | -0.059 | 38.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 214 | GLU | -1 | -0.944 | -0.812 | 41.415 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 215 | LYS | 0 | -0.001 | -0.118 | 41.818 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 215 | LYS | 1 | 0.806 | 0.980 | 43.223 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 216 | LYS | 0 | 0.088 | -0.064 | 39.730 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 216 | LYS | 1 | 0.712 | 0.966 | 37.070 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 217 | ILE | 0 | 0.049 | -0.081 | 39.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 217 | ILE | 0 | -0.066 | 0.112 | 35.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 218 | LYS | 0 | 0.134 | -0.083 | 40.002 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 218 | LYS | 1 | 0.763 | 1.008 | 43.191 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 219 | SER | 0 | -0.051 | -0.114 | 43.475 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 219 | SER | 0 | -0.025 | 0.061 | 43.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 220 | ALA | 0 | 0.066 | -0.112 | 40.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 220 | ALA | 0 | -0.074 | 0.128 | 40.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 221 | VAL | 0 | 0.050 | -0.101 | 41.986 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 221 | VAL | 0 | -0.077 | 0.113 | 42.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 222 | THR | 0 | 0.011 | -0.030 | 42.278 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 222 | THR | 0 | -0.104 | -0.009 | 42.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 223 | ASP | 0 | 0.082 | -0.068 | 44.160 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 223 | ASP | -1 | -0.875 | -0.816 | 44.191 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 224 | SER | 0 | 0.087 | -0.053 | 46.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 224 | SER | 0 | -0.056 | 0.047 | 50.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 225 | GLU | 0 | 0.093 | -0.066 | 48.697 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 225 | GLU | -1 | -0.835 | -0.758 | 46.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 226 | GLY | 0 | -0.014 | -0.114 | 48.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 227 | THR | 0 | -0.043 | 0.000 | 45.795 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 227 | THR | 0 | -0.070 | 0.037 | 45.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 228 | ILE | 0 | 0.034 | -0.127 | 41.855 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 228 | ILE | 0 | -0.057 | 0.106 | 39.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 229 | ARG | 0 | 0.165 | -0.022 | 39.991 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 229 | ARG | 1 | 0.799 | 1.002 | 41.388 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 230 | TYR | 0 | 0.106 | -0.097 | 36.313 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 230 | TYR | 0 | -0.094 | 0.078 | 32.571 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 231 | ASP | 0 | 0.070 | -0.135 | 37.722 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 231 | ASP | -1 | -0.953 | -0.824 | 40.284 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 232 | LYS | 0 | 0.098 | -0.056 | 35.751 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 232 | LYS | 1 | 0.867 | 1.052 | 32.507 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 233 | GLU | 0 | 0.030 | -0.095 | 37.076 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 233 | GLU | -1 | -0.997 | -0.879 | 36.898 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 234 | ALA | 0 | 0.146 | -0.096 | 40.020 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 234 | ALA | 0 | -0.083 | 0.107 | 43.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 235 | LYS | 0 | -0.008 | -0.131 | 41.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 235 | LYS | 1 | 0.706 | 0.987 | 41.209 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 236 | PRO | 0 | 0.082 | -0.036 | 38.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 237 | GLY | 0 | 0.030 | -0.030 | 37.481 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 238 | ILE | 0 | 0.079 | -0.012 | 38.372 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 238 | ILE | 0 | -0.084 | 0.132 | 40.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 239 | SER | 0 | 0.131 | -0.110 | 36.544 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 239 | SER | 0 | -0.052 | 0.069 | 35.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 240 | ASN | 0 | 0.050 | -0.061 | 33.732 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 240 | ASN | 0 | -0.102 | 0.074 | 33.104 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 241 | LEU | 0 | -0.015 | -0.129 | 33.596 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 241 | LEU | 0 | -0.053 | 0.088 | 36.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 242 | LEU | 0 | 0.050 | -0.088 | 34.686 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 242 | LEU | 0 | -0.031 | 0.126 | 34.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 243 | ASN | 0 | 0.149 | -0.026 | 30.975 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 243 | ASN | 0 | -0.126 | 0.043 | 28.622 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 244 | ILE | 0 | 0.071 | -0.101 | 29.760 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 244 | ILE | 0 | -0.096 | 0.070 | 30.773 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 245 | TYR | 0 | 0.144 | -0.083 | 30.215 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 245 | TYR | 0 | -0.110 | 0.070 | 33.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 246 | SER | 0 | 0.016 | -0.046 | 30.253 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 246 | SER | 0 | -0.026 | 0.058 | 29.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 247 | THR | 0 | -0.008 | -0.077 | 26.284 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 247 | THR | 0 | -0.079 | 0.039 | 25.390 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 248 | LEU | 0 | 0.032 | -0.112 | 25.835 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 248 | LEU | 0 | -0.065 | 0.094 | 26.589 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 249 | SER | 0 | -0.005 | -0.111 | 28.120 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 249 | SER | 0 | -0.018 | 0.066 | 31.071 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 250 | GLY | 0 | -0.063 | -0.099 | 26.666 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 251 | GLN | 0 | 0.080 | -0.001 | 27.589 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 251 | GLN | 0 | -0.117 | 0.061 | 31.691 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 252 | SER | 0 | 0.066 | -0.034 | 29.796 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 252 | SER | 0 | -0.071 | 0.041 | 30.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 253 | ILE | 0 | 0.157 | -0.092 | 30.690 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 253 | ILE | 0 | -0.092 | 0.095 | 30.722 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 254 | GLU | 0 | 0.032 | -0.136 | 33.073 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 254 | GLU | -1 | -0.877 | -0.776 | 32.104 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 255 | GLU | 0 | 0.079 | -0.120 | 33.830 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 255 | GLU | -1 | -0.955 | -0.795 | 32.634 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 256 | LEU | 0 | 0.080 | -0.105 | 34.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 256 | LEU | 0 | -0.096 | 0.102 | 33.051 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 257 | GLU | 0 | 0.093 | -0.119 | 36.610 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 257 | GLU | -1 | -0.943 | -0.816 | 37.141 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 258 | ARG | 0 | 0.064 | -0.108 | 38.848 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 258 | ARG | 1 | 0.761 | 1.018 | 39.208 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 259 | GLN | 0 | 0.097 | -0.099 | 39.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 259 | GLN | 0 | -0.047 | 0.134 | 37.559 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 260 | TYR | 0 | -0.040 | -0.112 | 40.668 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 260 | TYR | 0 | -0.136 | 0.026 | 38.337 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 261 | GLU | 0 | 0.178 | -0.127 | 42.651 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 261 | GLU | -1 | -0.951 | -0.767 | 43.807 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 262 | GLY | 0 | -0.040 | -0.122 | 45.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 263 | LYS | 0 | 0.024 | -0.006 | 45.946 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 263 | LYS | 1 | 0.778 | 1.029 | 44.314 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 264 | GLY | 0 | 0.068 | -0.081 | 46.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 265 | TYR | 0 | 0.047 | -0.051 | 44.197 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 265 | TYR | 0 | -0.035 | 0.101 | 43.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 266 | GLY | 0 | -0.033 | -0.092 | 44.364 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 267 | VAL | 0 | 0.118 | 0.018 | 45.166 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 267 | VAL | 0 | -0.044 | 0.122 | 44.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 268 | PHE | 0 | 0.117 | -0.081 | 41.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 268 | PHE | 0 | -0.066 | 0.099 | 37.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 269 | LYS | 0 | 0.067 | -0.119 | 40.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 269 | LYS | 1 | 0.728 | 0.986 | 41.433 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 270 | ALA | 0 | 0.068 | -0.085 | 40.828 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 270 | ALA | 0 | -0.101 | 0.079 | 43.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 271 | ASP | 0 | 0.060 | -0.117 | 40.066 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 271 | ASP | -1 | -0.902 | -0.769 | 39.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 272 | LEU | 0 | 0.134 | -0.096 | 36.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 272 | LEU | 0 | -0.135 | 0.108 | 34.327 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 273 | ALA | 0 | 0.064 | -0.122 | 36.021 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 273 | ALA | 0 | -0.051 | 0.118 | 39.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 274 | GLN | 0 | 0.087 | -0.093 | 37.234 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 274 | GLN | 0 | -0.086 | 0.094 | 37.683 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 275 | VAL | 0 | 0.055 | -0.116 | 34.037 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 275 | VAL | 0 | -0.079 | 0.121 | 32.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 276 | VAL | 0 | 0.098 | -0.084 | 32.271 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 276 | VAL | 0 | -0.088 | 0.078 | 32.382 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 277 | ILE | 0 | 0.077 | -0.085 | 32.650 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 277 | ILE | 0 | -0.090 | 0.085 | 36.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 278 | GLU | 0 | 0.068 | -0.115 | 33.558 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 278 | GLU | -1 | -0.879 | -0.773 | 32.924 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 279 | THR | 0 | -0.006 | -0.118 | 29.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 279 | THR | 0 | -0.100 | 0.042 | 27.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 280 | LEU | 0 | 0.034 | -0.097 | 29.169 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 280 | LEU | 0 | -0.071 | 0.095 | 29.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 281 | ARG | 0 | 0.140 | -0.054 | 30.965 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 281 | ARG | 1 | 0.719 | 1.001 | 32.716 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 282 | PRO | 0 | -0.018 | -0.123 | 28.219 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 283 | ILE | 0 | 0.102 | 0.002 | 27.067 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 283 | ILE | 0 | -0.112 | 0.087 | 25.742 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 284 | GLN | 0 | 0.103 | -0.106 | 27.968 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 284 | GLN | 0 | -0.153 | 0.058 | 31.384 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 285 | GLU | 0 | 0.034 | -0.103 | 31.070 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 285 | GLU | -1 | -0.908 | -0.852 | 31.335 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 286 | ARG | 0 | 0.079 | -0.077 | 27.299 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 286 | ARG | 1 | 0.785 | 1.016 | 24.144 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 287 | TYR | 0 | 0.124 | -0.036 | 27.969 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 287 | TYR | 0 | -0.122 | 0.055 | 27.933 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 288 | HIS | 0 | 0.039 | -0.120 | 28.882 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 288 | HIS | 0 | -0.072 | 0.084 | 33.429 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 289 | HIS | 0 | 0.157 | -0.060 | 30.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 289 | HIS | 0 | -0.131 | 0.068 | 29.679 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 290 | TRP | 0 | 0.109 | -0.086 | 27.282 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 290 | TRP | 0 | -0.138 | 0.074 | 22.632 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 291 | MET | 0 | 0.096 | -0.078 | 28.501 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 291 | MET | 0 | -0.128 | 0.077 | 30.349 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 292 | GLU | 0 | -0.010 | -0.132 | 31.206 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 292 | GLU | -1 | -1.015 | -0.850 | 33.576 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 293 | SER | 0 | 0.100 | -0.081 | 30.008 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 293 | SER | 0 | -0.071 | 0.070 | 29.115 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 294 | GLU | 0 | 0.069 | -0.124 | 29.963 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 294 | GLU | -1 | -0.981 | -0.823 | 31.064 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 295 | GLU | 0 | 0.117 | -0.092 | 26.917 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 295 | GLU | -1 | -0.955 | -0.837 | 24.597 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 296 | LEU | 0 | 0.047 | -0.108 | 25.155 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 296 | LEU | 0 | -0.101 | 0.089 | 24.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 297 | ASP | 0 | 0.023 | -0.111 | 25.094 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 297 | ASP | -1 | -0.860 | -0.808 | 28.570 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 298 | ARG | 0 | 0.142 | -0.066 | 25.437 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 298 | ARG | 1 | 0.674 | 0.953 | 21.757 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 299 | VAL | 0 | 0.066 | -0.105 | 21.454 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 299 | VAL | 0 | -0.116 | 0.081 | 19.862 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 300 | LEU | 0 | 0.076 | -0.112 | 20.500 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 300 | LEU | 0 | -0.083 | 0.088 | 21.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 301 | ASP | 0 | 0.054 | -0.123 | 22.059 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 301 | ASP | -1 | -1.004 | -0.840 | 24.447 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 302 | GLU | 0 | 0.103 | -0.102 | 20.016 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 302 | GLU | -1 | -0.911 | -0.774 | 19.006 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 303 | GLY | 0 | -0.060 | -0.129 | 17.460 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 304 | ALA | 0 | 0.135 | -0.016 | 17.756 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 304 | ALA | 0 | -0.039 | 0.137 | 21.905 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 305 | GLU | 0 | 0.025 | -0.170 | 19.867 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 305 | GLU | -1 | -1.005 | -0.823 | 20.041 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 306 | LYS | 0 | -0.005 | -0.098 | 15.416 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 306 | LYS | 1 | 0.799 | 1.019 | 13.420 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 307 | ALA | 0 | 0.148 | -0.070 | 15.723 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 307 | ALA | 0 | -0.062 | 0.105 | 16.692 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 308 | ASN | 0 | 0.050 | -0.085 | 16.713 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 308 | ASN | 0 | -0.089 | 0.058 | 20.861 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 309 | ARG | 0 | 0.173 | -0.018 | 17.885 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 309 | ARG | 1 | 0.860 | 1.064 | 15.684 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 310 | VAL | 0 | -0.019 | -0.156 | 14.248 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 310 | VAL | 0 | -0.088 | 0.099 | 12.474 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 311 | ALA | 0 | 0.117 | -0.092 | 15.567 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 311 | ALA | 0 | -0.054 | 0.105 | 17.649 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 312 | SER | 0 | 0.015 | -0.107 | 17.999 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 312 | SER | 0 | -0.071 | 0.061 | 20.336 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 313 | GLU | 0 | 0.111 | -0.079 | 18.848 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 313 | GLU | -1 | -0.835 | -0.724 | 17.902 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 314 | MET | 0 | 0.070 | -0.148 | 17.990 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 314 | MET | 0 | -0.106 | 0.138 | 16.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 315 | VAL | 0 | 0.076 | -0.100 | 19.005 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 315 | VAL | 0 | -0.094 | 0.107 | 21.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 316 | ARG | 0 | 0.151 | -0.078 | 22.571 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 316 | ARG | 1 | 0.685 | 0.950 | 21.093 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 317 | LYS | 0 | -0.028 | -0.139 | 20.620 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 317 | LYS | 1 | 0.842 | 1.022 | 16.858 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 318 | MET | 0 | 0.134 | -0.070 | 22.106 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 318 | MET | 0 | -0.097 | 0.086 | 21.644 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 319 | GLU | 0 | 0.097 | -0.093 | 23.843 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 319 | GLU | -1 | -1.024 | -0.862 | 26.615 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 320 | GLN | 0 | 0.041 | -0.110 | 25.914 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 320 | GLN | 0 | -0.126 | 0.084 | 25.116 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 321 | ALA | 0 | 0.068 | -0.118 | 25.285 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 321 | ALA | 0 | -0.051 | 0.124 | 24.535 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 322 | MET | 0 | 0.016 | -0.129 | 26.674 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 322 | MET | 0 | -0.091 | 0.100 | 27.209 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 323 | GLY | 0 | -0.054 | -0.108 | 29.372 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 324 | LEU | 0 | 0.035 | -0.017 | 30.577 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 324 | LEU | 0 | -0.053 | 0.111 | 29.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 325 | GLY | 0 | 0.007 | -0.087 | 31.150 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 326 | ARG | 0 | 0.080 | 0.064 | 32.060 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 326 | ARG | 1 | 0.845 | 1.005 | 33.684 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 327 | ARG | 0 | -0.015 | -0.134 | 29.605 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 327 | ARG | 1 | 1.021 | 1.027 | 25.713 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |