
FMODB ID: VVQJ1
Calculation Name: 4X0R-B-Xray540
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4X0R
Chain ID: B
UniProt ID: P20592
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 | 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 | 425 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -2548128.645691 |
---|---|
FMO2-HF: Nuclear repulsion | 2457694.870924 |
FMO2-HF: Total energy | -90433.774767 |
FMO2-MP2: Total energy | -90694.845676 |
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:3:GLU)
Summations of interaction energy for
fragment #1(B:3:GLU)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
0.639 | 3.253 | 4.123 | -3.024 | -3.713 | -0.027 |
Interaction energy analysis for fragmet #1(B:3:GLU)
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 | B | 4 | ALA | 0 | -0.091 | 0.097 | 4.257 | 0.294 | 0.463 | 0.000 | -0.067 | -0.103 | 0.000 |
5 | B | 5 | ASP | 0 | -0.011 | -0.132 | 3.131 | -1.331 | 0.056 | 0.039 | -0.690 | -0.736 | 0.002 |
6 | B | 5 | ASP | -1 | -0.912 | -0.805 | 2.278 | -4.333 | -3.662 | 4.086 | -2.121 | -2.636 | -0.029 |
7 | B | 6 | LYS | 0 | 0.077 | -0.114 | 4.190 | 0.312 | 0.530 | -0.001 | -0.079 | -0.138 | 0.000 |
8 | B | 6 | LYS | 1 | 0.787 | 0.991 | 4.257 | 4.514 | 4.683 | -0.001 | -0.067 | -0.100 | 0.000 |
9 | B | 7 | MET | 0 | 0.054 | -0.100 | 5.718 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 7 | MET | 0 | -0.046 | 0.107 | 7.933 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 8 | PHE | 0 | 0.071 | -0.082 | 7.399 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 8 | PHE | 0 | -0.075 | 0.100 | 7.201 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 9 | PHE | 0 | 0.071 | -0.092 | 9.077 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 9 | PHE | 0 | -0.074 | 0.087 | 10.433 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 10 | LEU | 0 | 0.055 | -0.121 | 11.369 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 10 | LEU | 0 | -0.038 | 0.118 | 12.215 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 11 | ILE | 0 | 0.076 | -0.083 | 12.864 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 11 | ILE | 0 | -0.057 | 0.099 | 11.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 12 | GLU | 0 | 0.076 | -0.108 | 14.172 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 12 | GLU | -1 | -0.865 | -0.772 | 14.126 | -0.459 | -0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 13 | LYS | 0 | 0.060 | -0.108 | 15.633 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 13 | LYS | 1 | 0.693 | 1.000 | 15.955 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 14 | ILE | 0 | 0.122 | -0.089 | 17.326 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 14 | ILE | 0 | -0.104 | 0.110 | 17.108 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 15 | LYS | 0 | 0.079 | -0.111 | 18.522 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 15 | LYS | 1 | 0.738 | 0.983 | 17.442 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 16 | MET | 0 | 0.092 | -0.078 | 20.121 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 16 | MET | 0 | -0.101 | 0.087 | 19.898 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 17 | PHE | 0 | 0.071 | -0.090 | 21.617 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 17 | PHE | 0 | -0.088 | 0.085 | 22.103 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 18 | ASN | 0 | 0.139 | -0.062 | 22.978 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 18 | ASN | 0 | -0.113 | 0.047 | 23.123 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 19 | GLN | 0 | 0.151 | -0.065 | 24.412 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 19 | GLN | 0 | -0.134 | 0.057 | 22.820 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 20 | ASP | 0 | 0.069 | -0.075 | 26.098 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 20 | ASP | -1 | -0.903 | -0.810 | 26.582 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 21 | ILE | 0 | 0.081 | -0.089 | 27.546 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 21 | ILE | 0 | -0.122 | 0.084 | 27.456 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 22 | GLU | 0 | 0.126 | -0.101 | 28.777 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 22 | GLU | -1 | -0.835 | -0.727 | 29.094 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 23 | LYS | 0 | 0.109 | -0.083 | 30.347 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 23 | LYS | 1 | 0.778 | 1.029 | 27.973 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 24 | LEU | 0 | 0.056 | -0.106 | 32.179 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 24 | LEU | 0 | -0.126 | 0.077 | 31.970 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 25 | VAL | 0 | 0.062 | -0.106 | 33.521 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 25 | VAL | 0 | -0.080 | 0.118 | 33.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 26 | GLU | 0 | 0.029 | -0.132 | 34.683 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 26 | GLU | -1 | -0.982 | -0.828 | 33.691 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 27 | GLY | 0 | -0.039 | -0.130 | 36.487 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 28 | GLU | 0 | 0.021 | -0.045 | 35.329 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 28 | GLU | -1 | -0.889 | -0.784 | 34.541 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 29 | GLU | 0 | 0.056 | -0.084 | 33.390 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 29 | GLU | -1 | -0.839 | -0.805 | 33.763 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 30 | VAL | 0 | 0.072 | -0.136 | 33.267 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 30 | VAL | 0 | -0.085 | 0.109 | 31.158 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 31 | VAL | 0 | 0.024 | -0.122 | 33.952 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 31 | VAL | 0 | -0.061 | 0.097 | 36.425 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 32 | ARG | 0 | 0.125 | -0.064 | 36.452 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 32 | ARG | 1 | 0.702 | 0.940 | 36.713 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 33 | GLU | 0 | 0.077 | -0.109 | 38.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 33 | GLU | -1 | -0.935 | -0.813 | 41.255 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 34 | ASN | 0 | 0.027 | -0.052 | 41.428 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 34 | ASN | 0 | -0.149 | 0.037 | 42.182 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 35 | GLU | 0 | 0.122 | -0.096 | 40.661 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 35 | GLU | -1 | -0.888 | -0.801 | 37.324 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 36 | THR | 0 | 0.065 | -0.055 | 41.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 36 | THR | 0 | -0.048 | 0.057 | 43.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 37 | ARG | 0 | 0.127 | -0.068 | 39.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 37 | ARG | 1 | 0.690 | 1.001 | 36.632 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 38 | LEU | 0 | 0.077 | -0.156 | 38.426 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 38 | LEU | 0 | -0.058 | 0.130 | 36.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 39 | TYR | 0 | 0.118 | -0.105 | 39.767 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 39 | TYR | 0 | -0.137 | 0.078 | 38.828 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 40 | ASN | 0 | 0.053 | -0.087 | 42.083 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 40 | ASN | 0 | -0.091 | 0.082 | 44.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 41 | LYS | 0 | 0.101 | -0.085 | 43.029 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 41 | LYS | 1 | 0.748 | 1.015 | 38.431 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 42 | ILE | 0 | 0.083 | -0.091 | 43.762 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 42 | ILE | 0 | -0.088 | 0.111 | 40.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 43 | ARG | 0 | 0.093 | -0.083 | 45.029 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 43 | ARG | 1 | 0.846 | 1.037 | 44.421 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 44 | GLU | 0 | 0.037 | -0.112 | 47.799 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 44 | GLU | -1 | -0.891 | -0.799 | 49.036 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 45 | ASP | 0 | 0.098 | -0.101 | 48.647 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 45 | ASP | -1 | -0.912 | -0.815 | 48.059 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 46 | PHE | 0 | 0.090 | -0.098 | 49.102 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 46 | PHE | 0 | -0.070 | 0.086 | 45.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 47 | LYS | 0 | 0.103 | -0.092 | 50.571 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 47 | LYS | 1 | 0.734 | 0.994 | 51.449 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 48 | ASN | 0 | 0.099 | -0.067 | 53.037 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 48 | ASN | 0 | -0.116 | 0.075 | 53.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 49 | TRP | 0 | 0.093 | -0.088 | 53.395 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 49 | TRP | 0 | -0.060 | 0.084 | 52.830 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 50 | VAL | 0 | 0.084 | -0.108 | 54.757 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 50 | VAL | 0 | -0.091 | 0.114 | 54.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 51 | GLY | 0 | 0.023 | -0.100 | 56.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 52 | ILE | 0 | 0.079 | 0.000 | 58.250 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 52 | ILE | 0 | -0.059 | 0.121 | 56.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 53 | LEU | 0 | 0.127 | -0.106 | 58.738 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 53 | LEU | 0 | -0.151 | 0.121 | 57.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 54 | ALA | 0 | 0.131 | -0.102 | 60.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 54 | ALA | 0 | -0.073 | 0.109 | 61.587 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 55 | THR | 0 | -0.024 | -0.117 | 62.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 55 | THR | 0 | -0.081 | 0.050 | 62.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 56 | ASN | 0 | 0.054 | -0.082 | 63.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 56 | ASN | 0 | -0.067 | 0.096 | 61.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 57 | THR | 0 | 0.101 | -0.070 | 64.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 57 | THR | 0 | -0.034 | 0.077 | 63.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 58 | GLN | 0 | 0.090 | -0.094 | 65.790 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 58 | GLN | 0 | -0.048 | 0.122 | 67.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 59 | LYS | 0 | 0.113 | -0.084 | 68.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 59 | LYS | 1 | 0.766 | 1.038 | 65.871 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 60 | VAL | 0 | 0.015 | -0.137 | 68.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 60 | VAL | 0 | -0.045 | 0.120 | 67.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 61 | LYS | 0 | 0.107 | -0.081 | 70.009 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 61 | LYS | 1 | 0.811 | 1.026 | 68.708 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 62 | ASN | 0 | 0.105 | -0.045 | 71.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 62 | ASN | 0 | -0.100 | 0.060 | 73.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 63 | ILE | 0 | 0.091 | -0.069 | 73.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 63 | ILE | 0 | -0.102 | 0.084 | 73.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 64 | ILE | 0 | 0.076 | -0.092 | 73.956 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 64 | ILE | 0 | -0.074 | 0.086 | 72.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 65 | HIS | 0 | 0.119 | -0.070 | 75.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 65 | HIS | 0 | -0.117 | 0.062 | 76.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 66 | GLU | 0 | 0.083 | -0.109 | 77.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 66 | GLU | -1 | -1.012 | -0.866 | 78.659 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 67 | GLU | 0 | 0.018 | -0.099 | 78.617 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 67 | GLU | -1 | -0.882 | -0.808 | 77.484 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 68 | VAL | 0 | 0.077 | -0.084 | 79.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 68 | VAL | 0 | -0.067 | 0.098 | 78.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 69 | GLU | 0 | 0.155 | -0.114 | 80.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 69 | GLU | -1 | -0.900 | -0.766 | 82.449 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 70 | LYS | 0 | 0.084 | -0.093 | 83.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 70 | LYS | 1 | 0.702 | 0.991 | 81.094 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 71 | TYR | 0 | 0.058 | -0.094 | 83.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 71 | TYR | 0 | -0.127 | 0.050 | 80.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 72 | GLU | 0 | 0.114 | -0.093 | 85.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 72 | GLU | -1 | -0.950 | -0.841 | 84.389 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 73 | LYS | 0 | 0.049 | -0.099 | 87.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 73 | LYS | 1 | 0.782 | 0.996 | 85.793 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 74 | GLN | 0 | 0.036 | -0.100 | 88.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 74 | GLN | 0 | -0.123 | 0.053 | 86.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 75 | ALA | 0 | 0.075 | -0.078 | 89.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 75 | ALA | 0 | -0.106 | 0.085 | 88.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 76 | ALA | 0 | -0.132 | -0.144 | 90.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 76 | ALA | 0 | 0.047 | 0.027 | 92.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 87 | LYS | 0 | 0.164 | 0.035 | 76.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 87 | LYS | 1 | 0.767 | 0.996 | 73.818 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 88 | THR | 0 | -0.031 | -0.101 | 75.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 88 | THR | 0 | 0.025 | 0.078 | 77.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 89 | PHE | 0 | 0.098 | -0.084 | 74.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 89 | PHE | 0 | -0.043 | 0.110 | 74.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 90 | GLU | 0 | 0.105 | -0.100 | 71.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 90 | GLU | -1 | -0.846 | -0.764 | 71.199 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 91 | ILE | 0 | 0.046 | -0.081 | 70.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 91 | ILE | 0 | -0.088 | 0.105 | 71.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 92 | ILE | 0 | 0.141 | -0.077 | 70.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 92 | ILE | 0 | -0.081 | 0.100 | 71.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 93 | VAL | 0 | 0.045 | -0.124 | 68.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 93 | VAL | 0 | -0.064 | 0.118 | 66.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 94 | HIS | 0 | 0.119 | -0.067 | 65.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 94 | HIS | 0 | -0.099 | 0.077 | 64.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 95 | GLN | 0 | 0.105 | -0.089 | 65.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 95 | GLN | 0 | -0.079 | 0.084 | 67.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 96 | TYR | 0 | 0.072 | -0.082 | 64.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 96 | TYR | 0 | -0.094 | 0.072 | 62.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 97 | ILE | 0 | 0.098 | -0.088 | 61.807 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 97 | ILE | 0 | -0.131 | 0.089 | 60.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 98 | GLN | 0 | 0.104 | -0.089 | 60.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 98 | GLN | 0 | -0.070 | 0.101 | 60.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 99 | GLN | 0 | 0.034 | -0.091 | 60.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 99 | GLN | 0 | -0.115 | 0.069 | 63.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 100 | LEU | 0 | 0.042 | -0.123 | 58.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 100 | LEU | 0 | -0.078 | 0.102 | 58.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 101 | VAL | 0 | 0.093 | -0.095 | 56.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 101 | VAL | 0 | -0.088 | 0.100 | 55.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 102 | GLU | 0 | 0.137 | -0.078 | 54.722 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 102 | GLU | -1 | -0.991 | -0.841 | 55.134 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 103 | PRO | 0 | -0.028 | -0.140 | 54.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 104 | ALA | 0 | 0.114 | 0.015 | 52.543 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 104 | ALA | 0 | -0.086 | 0.097 | 52.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 105 | LEU | 0 | 0.020 | -0.135 | 50.164 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 105 | LEU | 0 | -0.047 | 0.133 | 50.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 106 | SER | 0 | 0.099 | -0.065 | 49.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 106 | SER | 0 | -0.034 | 0.074 | 51.617 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 107 | MET | 0 | 0.076 | -0.087 | 49.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 107 | MET | 0 | -0.159 | 0.099 | 48.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 108 | LEU | 0 | 0.058 | -0.097 | 46.238 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 108 | LEU | 0 | -0.102 | 0.095 | 44.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 109 | GLN | 0 | 0.117 | -0.092 | 44.864 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 109 | GLN | 0 | -0.132 | 0.067 | 44.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 110 | LYS | 0 | 0.123 | -0.088 | 44.520 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 110 | LYS | 1 | 0.833 | 1.077 | 46.796 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 111 | ALA | 0 | 0.074 | -0.126 | 43.763 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 111 | ALA | 0 | -0.062 | 0.100 | 43.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 112 | MET | 0 | 0.077 | -0.111 | 40.686 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 112 | MET | 0 | -0.102 | 0.111 | 40.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 113 | GLU | 0 | 0.065 | -0.129 | 39.748 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 113 | GLU | -1 | -0.943 | -0.806 | 42.765 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 114 | ILE | 0 | 0.068 | -0.087 | 39.813 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 114 | ILE | 0 | -0.140 | 0.076 | 40.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 115 | ILE | 0 | 0.040 | -0.134 | 37.716 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 115 | ILE | 0 | -0.076 | 0.117 | 36.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 116 | GLN | 0 | 0.088 | -0.087 | 35.677 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 116 | GLN | 0 | -0.089 | 0.089 | 35.456 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 117 | GLN | 0 | 0.108 | -0.115 | 34.782 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 117 | GLN | 0 | -0.105 | 0.092 | 35.350 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 118 | ALA | 0 | 0.041 | -0.113 | 34.708 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 118 | ALA | 0 | -0.060 | 0.112 | 35.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 119 | PHE | 0 | 0.072 | -0.102 | 31.484 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 119 | PHE | 0 | -0.055 | 0.097 | 31.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 120 | ILE | 0 | 0.118 | -0.077 | 30.110 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 120 | ILE | 0 | -0.111 | 0.088 | 31.462 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 121 | ASN | 0 | 0.065 | -0.097 | 30.102 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 121 | ASN | 0 | -0.079 | 0.088 | 32.720 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 122 | VAL | 0 | 0.093 | -0.098 | 28.852 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 122 | VAL | 0 | -0.068 | 0.124 | 27.221 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 123 | ALA | 0 | 0.137 | -0.092 | 25.844 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 123 | ALA | 0 | -0.075 | 0.101 | 26.512 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 124 | LYS | 0 | 0.038 | -0.105 | 25.381 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 124 | LYS | 1 | 0.840 | 1.045 | 28.588 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 125 | LYS | 0 | 0.125 | -0.075 | 26.102 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 125 | LYS | 1 | 0.760 | 1.023 | 26.022 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 126 | HIS | 0 | -0.022 | -0.133 | 22.888 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 126 | HIS | 0 | -0.068 | 0.100 | 22.026 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 127 | PHE | 0 | 0.069 | -0.078 | 21.193 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 127 | PHE | 0 | -0.053 | 0.096 | 19.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 128 | GLY | 0 | 0.071 | -0.088 | 22.382 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 129 | GLU | 0 | 0.082 | -0.016 | 20.904 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 129 | GLU | -1 | -0.975 | -0.850 | 20.226 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 130 | PHE | 0 | -0.018 | -0.078 | 19.482 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 130 | PHE | 0 | -0.108 | 0.073 | 16.446 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 131 | PHE | 0 | 0.163 | -0.090 | 20.523 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 131 | PHE | 0 | -0.027 | 0.116 | 23.531 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 132 | ASN | 0 | 0.110 | -0.083 | 21.426 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 132 | ASN | 0 | -0.108 | 0.074 | 19.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 133 | LEU | 0 | 0.164 | -0.055 | 20.068 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 133 | LEU | 0 | -0.088 | 0.103 | 17.797 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 134 | ASN | 0 | 0.158 | -0.075 | 21.261 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 134 | ASN | 0 | -0.145 | 0.060 | 24.334 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 135 | GLN | 0 | 0.078 | -0.097 | 24.538 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 135 | GLN | 0 | -0.128 | 0.082 | 25.206 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 136 | THR | 0 | 0.016 | -0.084 | 23.992 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 136 | THR | 0 | -0.062 | 0.065 | 22.785 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 137 | VAL | 0 | 0.129 | -0.061 | 24.417 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 137 | VAL | 0 | -0.057 | 0.114 | 22.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 138 | GLN | 0 | 0.094 | -0.096 | 25.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 138 | GLN | 0 | -0.061 | 0.092 | 28.454 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 139 | SER | 0 | 0.015 | -0.075 | 28.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 139 | SER | 0 | -0.062 | 0.054 | 27.801 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 140 | THR | 0 | 0.051 | -0.086 | 27.493 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 140 | THR | 0 | -0.089 | 0.043 | 26.432 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 141 | ILE | 0 | 0.109 | -0.069 | 28.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 141 | ILE | 0 | -0.114 | 0.080 | 28.546 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 142 | GLU | 0 | 0.082 | -0.086 | 31.076 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 142 | GLU | -1 | -0.879 | -0.785 | 33.390 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 143 | ASP | 0 | 0.084 | -0.076 | 32.587 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 143 | ASP | -1 | -0.890 | -0.813 | 31.679 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 144 | ILE | 0 | 0.102 | -0.097 | 32.524 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 144 | ILE | 0 | -0.100 | 0.110 | 29.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 145 | LYS | 0 | 0.142 | -0.097 | 33.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 145 | LYS | 1 | 0.701 | 1.002 | 35.506 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 146 | VAL | 0 | 0.072 | -0.101 | 36.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 146 | VAL | 0 | -0.088 | 0.115 | 36.890 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 147 | LYS | 0 | 0.097 | -0.088 | 37.300 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 147 | LYS | 1 | 0.738 | 0.986 | 33.372 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 148 | HIS | 0 | 0.088 | -0.089 | 37.729 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 148 | HIS | 0 | -0.141 | 0.085 | 35.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 149 | THR | 0 | 0.012 | -0.111 | 39.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 149 | THR | 0 | -0.029 | 0.052 | 40.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 150 | ALA | 0 | 0.162 | -0.057 | 41.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 150 | ALA | 0 | -0.085 | 0.109 | 42.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 151 | LYS | 0 | -0.018 | -0.129 | 41.971 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 151 | LYS | 1 | 0.804 | 0.997 | 37.780 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 152 | ALA | 0 | 0.129 | -0.066 | 43.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 152 | ALA | 0 | -0.064 | 0.100 | 43.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 153 | GLU | 0 | 0.072 | -0.132 | 44.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 153 | GLU | -1 | -0.916 | -0.787 | 46.977 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 154 | ASN | 0 | 0.058 | -0.079 | 46.828 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 154 | ASN | 0 | -0.155 | 0.033 | 46.339 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 155 | MET | 0 | 0.084 | -0.113 | 47.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 155 | MET | 0 | -0.094 | 0.112 | 46.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 156 | ILE | 0 | 0.113 | -0.079 | 48.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 156 | ILE | 0 | -0.079 | 0.098 | 48.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 157 | GLN | 0 | 0.089 | -0.114 | 50.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 157 | GLN | 0 | -0.156 | 0.058 | 51.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 158 | LEU | 0 | 0.029 | -0.122 | 51.851 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 158 | LEU | 0 | -0.091 | 0.095 | 50.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 159 | GLN | 0 | 0.069 | -0.094 | 52.773 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 159 | GLN | 0 | -0.062 | 0.095 | 52.696 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 160 | PHE | 0 | 0.058 | -0.106 | 54.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 160 | PHE | 0 | -0.041 | 0.114 | 54.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 161 | ARG | 0 | 0.147 | -0.048 | 56.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 161 | ARG | 1 | 0.848 | 1.055 | 52.652 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 162 | MET | 0 | 0.105 | -0.112 | 57.040 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 162 | MET | 0 | -0.109 | 0.098 | 54.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 163 | GLU | 0 | 0.059 | -0.117 | 58.455 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 163 | GLU | -1 | -0.893 | -0.778 | 58.259 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 164 | GLN | 0 | 0.104 | -0.109 | 60.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 164 | GLN | 0 | -0.134 | 0.068 | 61.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 165 | MET | 0 | 0.041 | -0.088 | 61.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 165 | MET | 0 | -0.103 | 0.079 | 61.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 166 | VAL | 0 | 0.096 | -0.095 | 62.272 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 166 | VAL | 0 | -0.081 | 0.103 | 60.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 167 | PHE | 0 | 0.055 | -0.078 | 63.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 167 | PHE | 0 | -0.079 | 0.077 | 65.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 168 | LYS | 0 | -0.123 | -0.157 | 65.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 168 | LYS | 1 | 0.873 | 0.948 | 66.882 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 180 | SER | 0 | 0.070 | 0.028 | 82.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 180 | SER | 0 | -0.052 | 0.040 | 81.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 181 | VAL | 0 | 0.019 | -0.109 | 83.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 181 | VAL | 0 | -0.049 | 0.123 | 83.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 182 | SER | 0 | -0.009 | -0.093 | 81.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 182 | SER | 0 | -0.005 | 0.077 | 80.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 183 | SER | 0 | 0.055 | -0.062 | 81.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 183 | SER | 0 | -0.003 | 0.075 | 83.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 184 | PHE | 0 | 0.087 | -0.084 | 81.114 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 184 | PHE | 0 | -0.069 | 0.109 | 81.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 185 | THR | 0 | 0.160 | -0.031 | 80.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 185 | THR | 0 | -0.038 | 0.078 | 81.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 186 | GLU | 0 | 0.083 | -0.101 | 79.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 186 | GLU | -1 | -0.968 | -0.817 | 78.138 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 187 | ILE | 0 | 0.027 | -0.115 | 76.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 187 | ILE | 0 | -0.096 | 0.096 | 76.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 188 | GLY | 0 | 0.061 | -0.095 | 75.388 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 189 | ILE | 0 | 0.069 | 0.009 | 75.085 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 189 | ILE | 0 | -0.067 | 0.116 | 74.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 190 | HIS | 0 | 0.074 | -0.111 | 72.536 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 190 | HIS | 0 | -0.127 | 0.073 | 72.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 191 | LEU | 0 | 0.105 | -0.094 | 70.921 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 191 | LEU | 0 | -0.070 | 0.098 | 71.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 192 | ASN | 0 | 0.078 | -0.084 | 70.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 192 | ASN | 0 | -0.125 | 0.053 | 72.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 193 | ALA | 0 | 0.088 | -0.111 | 69.229 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 193 | ALA | 0 | -0.044 | 0.131 | 69.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 194 | TYR | 0 | 0.090 | -0.095 | 66.631 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 194 | TYR | 0 | -0.040 | 0.122 | 63.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 195 | PHE | 0 | 0.054 | -0.082 | 65.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 195 | PHE | 0 | -0.060 | 0.087 | 66.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 196 | LEU | 0 | 0.156 | -0.070 | 64.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 196 | LEU | 0 | -0.123 | 0.098 | 65.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 197 | GLU | 0 | 0.050 | -0.175 | 62.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 197 | GLU | -1 | -0.999 | -0.822 | 62.794 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 198 | THR | 0 | -0.001 | -0.112 | 61.066 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 198 | THR | 0 | -0.039 | 0.073 | 61.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 199 | SER | 0 | 0.040 | -0.074 | 59.919 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 199 | SER | 0 | -0.060 | 0.060 | 61.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 200 | LYS | 0 | 0.090 | -0.085 | 58.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 200 | LYS | 1 | 0.833 | 1.048 | 59.483 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 201 | ARG | 0 | 0.115 | -0.048 | 56.834 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 201 | ARG | 1 | 0.721 | 0.982 | 56.487 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 202 | LEU | 0 | 0.073 | -0.108 | 55.281 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 202 | LEU | 0 | -0.063 | 0.100 | 56.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 203 | ALA | 0 | 0.130 | -0.118 | 54.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 203 | ALA | 0 | -0.075 | 0.106 | 56.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 204 | ASN | 0 | 0.010 | -0.079 | 52.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 204 | ASN | 0 | -0.147 | 0.034 | 52.203 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 205 | GLN | 0 | 0.176 | -0.071 | 50.571 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 205 | GLN | 0 | -0.121 | 0.083 | 51.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 206 | ILE | 0 | 0.018 | -0.104 | 49.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 206 | ILE | 0 | -0.059 | 0.110 | 50.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 207 | PRO | 0 | 0.042 | -0.106 | 47.975 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 208 | PHE | 0 | 0.054 | 0.016 | 46.227 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 208 | PHE | 0 | -0.040 | 0.090 | 47.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 209 | ILE | 0 | 0.119 | -0.073 | 44.984 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 209 | ILE | 0 | -0.127 | 0.094 | 46.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 210 | ILE | 0 | 0.106 | -0.086 | 44.107 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 210 | ILE | 0 | -0.093 | 0.091 | 43.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 211 | GLN | 0 | 0.070 | -0.115 | 41.910 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 211 | GLN | 0 | -0.090 | 0.081 | 42.430 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 212 | TYR | 0 | 0.094 | -0.063 | 40.322 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 212 | TYR | 0 | -0.133 | 0.055 | 39.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 213 | PHE | 0 | 0.067 | -0.107 | 39.271 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 213 | PHE | 0 | -0.091 | 0.095 | 40.697 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 214 | MET | 0 | 0.153 | -0.094 | 38.423 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 214 | MET | 0 | -0.092 | 0.119 | 39.094 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 215 | LEU | 0 | 0.068 | -0.086 | 36.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 215 | LEU | 0 | -0.132 | 0.097 | 36.117 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 216 | ARG | 0 | 0.149 | -0.066 | 35.529 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 216 | ARG | 1 | 0.645 | 0.890 | 32.483 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 217 | GLU | 0 | 0.116 | -0.130 | 34.587 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 217 | GLU | -1 | -0.843 | -0.759 | 36.212 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 218 | ASN | 0 | 0.105 | -0.055 | 33.813 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 218 | ASN | 0 | -0.162 | 0.056 | 34.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 219 | GLY | 0 | 0.024 | -0.099 | 31.298 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 220 | ASP | 0 | 0.071 | 0.013 | 29.813 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 220 | ASP | -1 | -0.898 | -0.790 | 31.865 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 221 | SER | 0 | -0.043 | -0.124 | 29.253 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 221 | SER | 0 | -0.028 | 0.064 | 31.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 222 | LEU | 0 | 0.162 | -0.071 | 28.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 222 | LEU | 0 | -0.081 | 0.113 | 27.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 223 | GLN | 0 | 0.095 | -0.117 | 25.397 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 223 | GLN | 0 | -0.140 | 0.082 | 25.969 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 224 | LYS | 0 | 0.075 | -0.094 | 24.223 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 224 | LYS | 1 | 0.871 | 1.057 | 26.967 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 225 | ALA | 0 | 0.075 | -0.084 | 24.206 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 225 | ALA | 0 | -0.039 | 0.108 | 25.880 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 226 | MET | 0 | 0.020 | -0.130 | 21.793 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 226 | MET | 0 | -0.076 | 0.102 | 20.815 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 227 | MET | 0 | 0.130 | -0.083 | 19.906 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 227 | MET | 0 | -0.099 | 0.094 | 18.847 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 228 | GLN | 0 | 0.100 | -0.094 | 19.772 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 228 | GLN | 0 | -0.148 | 0.079 | 21.426 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 229 | ILE | 0 | 0.129 | -0.066 | 19.425 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 229 | ILE | 0 | -0.098 | 0.080 | 17.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 230 | LEU | 0 | 0.033 | -0.123 | 15.533 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 230 | LEU | 0 | -0.083 | 0.117 | 14.273 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 231 | GLN | 0 | 0.003 | -0.109 | 14.876 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 231 | GLN | 0 | -0.063 | 0.099 | 17.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 232 | GLU | 0 | 0.125 | -0.063 | 15.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 232 | GLU | -1 | -0.949 | -0.825 | 18.125 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 233 | LYS | 0 | 0.142 | -0.110 | 12.269 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 233 | LYS | 1 | 0.759 | 1.032 | 11.255 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 234 | ASN | 0 | 0.048 | -0.070 | 12.166 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 234 | ASN | 0 | -0.050 | 0.063 | 14.482 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 235 | ARG | 0 | 0.042 | -0.114 | 13.766 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 235 | ARG | 1 | 0.837 | 1.062 | 16.948 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 236 | TYR | 0 | 0.056 | -0.105 | 11.749 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 236 | TYR | 0 | -0.088 | 0.070 | 9.657 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 237 | SER | 0 | 0.061 | -0.071 | 12.157 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 237 | SER | 0 | -0.010 | 0.072 | 10.884 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 238 | TRP | 0 | 0.089 | -0.046 | 12.740 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 238 | TRP | 0 | -0.090 | 0.078 | 17.092 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 239 | LEU | 0 | -0.111 | -0.144 | 15.569 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 239 | LEU | 0 | 0.049 | 0.041 | 15.426 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |