
FMODB ID: VKZR1
Calculation Name: 3EB8-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
PDB ID: 3EB8
Chain ID: A
UniProt ID: Q7BU69
Base Structure: X-ray
Registration Date: 2025-07-08
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 | 640 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5079795.306517 |
---|---|
FMO2-HF: Nuclear repulsion | 4947844.730103 |
FMO2-HF: Total energy | -131950.576414 |
FMO2-MP2: Total energy | -132332.84507 |
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:53:ALA)
Summations of interaction energy for
fragment #1(A:53:ALA)
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. |
-7.436 | -4.816 | 8.827 | -5.641 | -5.807 | 0 |
Interaction energy analysis for fragmet #1(A:53:ALA)
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 | 54 | GLU | -1 | -0.895 | -0.794 | 3.861 | -0.081 | 0.311 | -0.001 | -0.078 | -0.313 | 0.000 |
5 | A | 55 | LYS | 0 | 0.058 | -0.062 | 2.789 | -4.512 | -2.019 | 0.265 | -1.298 | -1.460 | 0.009 |
6 | A | 55 | LYS | 1 | 0.764 | 1.042 | 3.398 | -2.540 | -1.896 | 0.048 | -0.359 | -0.333 | 0.003 |
7 | A | 56 | HIS | 0 | 0.094 | -0.072 | 3.225 | -1.066 | -0.725 | 0.005 | -0.083 | -0.264 | 0.000 |
8 | A | 56 | HIS | 0 | -0.067 | 0.078 | 2.344 | -0.637 | -1.951 | 8.512 | -3.818 | -3.380 | -0.012 |
9 | A | 57 | SER | 0 | 0.031 | -0.069 | 5.161 | 0.029 | 0.093 | -0.002 | -0.005 | -0.057 | 0.000 |
10 | A | 57 | SER | 0 | -0.016 | 0.054 | 6.248 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 58 | GLU | 0 | 0.145 | -0.065 | 6.963 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 58 | GLU | -1 | -0.977 | -0.836 | 7.594 | 1.471 | 1.471 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 59 | LYS | 0 | 0.113 | -0.066 | 7.753 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 59 | LYS | 1 | 0.703 | 0.966 | 8.079 | -0.576 | -0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 60 | LYS | 0 | 0.133 | -0.045 | 9.127 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 60 | LYS | 1 | 0.829 | 1.034 | 9.387 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 61 | LEU | 0 | 0.020 | -0.100 | 10.950 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 61 | LEU | 0 | -0.031 | 0.085 | 11.631 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 62 | MET | 0 | 0.137 | -0.120 | 12.588 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 62 | MET | 0 | -0.085 | 0.141 | 12.858 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 63 | ASP | 0 | 0.156 | -0.121 | 13.840 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 63 | ASP | -1 | -0.934 | -0.795 | 13.411 | 0.419 | 0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 64 | SER | 0 | -0.061 | -0.110 | 15.480 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 64 | SER | 0 | -0.042 | 0.063 | 15.217 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 65 | PHE | 0 | 0.042 | -0.080 | 17.506 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 65 | PHE | 0 | -0.092 | 0.106 | 16.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 66 | SER | 0 | -0.002 | -0.098 | 19.639 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 66 | SER | 0 | -0.016 | 0.105 | 22.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 67 | PRO | 0 | 0.036 | -0.096 | 23.029 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 68 | SER | 0 | -0.027 | -0.007 | 26.181 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 68 | SER | 0 | -0.062 | 0.041 | 27.455 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 69 | LEU | 0 | 0.068 | -0.107 | 28.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 69 | LEU | 0 | -0.054 | 0.108 | 30.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 70 | SER | 0 | 0.002 | -0.083 | 31.316 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 70 | SER | 0 | -0.016 | 0.067 | 30.239 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 71 | GLN | 0 | 0.117 | -0.075 | 32.976 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 71 | GLN | 0 | -0.083 | 0.083 | 37.511 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 72 | ASP | 0 | -0.020 | -0.107 | 34.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 72 | ASP | -1 | -0.958 | -0.848 | 33.896 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 73 | LYS | 0 | 0.079 | -0.093 | 31.609 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 73 | LYS | 1 | 0.765 | 1.027 | 30.821 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 74 | MET | 0 | 0.092 | -0.081 | 30.977 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 74 | MET | 0 | -0.112 | 0.066 | 29.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 75 | ASP | 0 | 0.107 | -0.127 | 32.424 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 75 | ASP | -1 | -0.985 | -0.830 | 34.814 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 76 | GLY | 0 | -0.027 | -0.114 | 32.593 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 77 | GLU | 0 | 0.141 | -0.032 | 28.926 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 77 | GLU | -1 | -0.827 | -0.704 | 27.682 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 78 | PHE | 0 | 0.047 | -0.093 | 27.697 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 78 | PHE | 0 | -0.083 | 0.100 | 23.715 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 79 | ALA | 0 | 0.112 | -0.081 | 23.699 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 79 | ALA | 0 | -0.072 | 0.073 | 22.905 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 80 | HIS | 0 | 0.035 | -0.094 | 23.651 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 80 | HIS | 0 | -0.096 | 0.060 | 24.406 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 81 | ALA | 0 | 0.126 | -0.081 | 19.644 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 81 | ALA | 0 | -0.071 | 0.096 | 18.914 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 82 | ASN | 0 | 0.045 | -0.065 | 21.046 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 82 | ASN | 0 | -0.094 | 0.075 | 23.276 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 83 | ILE | 0 | 0.090 | -0.093 | 17.827 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 83 | ILE | 0 | -0.080 | 0.091 | 15.841 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 84 | ASP | 0 | 0.078 | -0.085 | 19.268 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 84 | ASP | -1 | -1.002 | -0.851 | 17.738 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 85 | GLY | 0 | 0.010 | -0.125 | 20.753 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 86 | ILE | 0 | 0.105 | 0.026 | 20.741 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 86 | ILE | 0 | -0.109 | 0.087 | 18.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 87 | SER | 0 | 0.076 | -0.089 | 22.008 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 87 | SER | 0 | -0.077 | 0.064 | 24.439 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 88 | ILE | 0 | 0.023 | -0.113 | 20.631 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 88 | ILE | 0 | -0.086 | 0.097 | 18.315 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 89 | ARG | 0 | 0.017 | -0.126 | 22.062 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 89 | ARG | 1 | 0.819 | 1.030 | 25.315 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 90 | LEU | 0 | 0.084 | -0.103 | 23.816 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 90 | LEU | 0 | -0.054 | 0.109 | 20.490 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 91 | CYS | 0 | 0.118 | -0.086 | 24.810 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 91 | CYS | 0 | -0.070 | 0.118 | 29.042 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 92 | LEU | 0 | 0.083 | -0.102 | 28.088 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 92 | LEU | 0 | -0.088 | 0.129 | 28.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 93 | ASN | 0 | 0.056 | -0.090 | 30.227 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 93 | ASN | 0 | -0.106 | 0.071 | 31.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 94 | LYS | 0 | 0.080 | -0.084 | 33.502 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 94 | LYS | 1 | 0.887 | 1.066 | 36.078 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 95 | GLY | 0 | 0.025 | -0.109 | 31.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 96 | ILE | 0 | 0.068 | -0.001 | 29.927 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 96 | ILE | 0 | -0.081 | 0.107 | 29.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 97 | CYS | 0 | 0.102 | -0.100 | 26.046 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 97 | CYS | 0 | -0.109 | 0.110 | 25.008 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 98 | SER | 0 | 0.023 | -0.095 | 26.441 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 98 | SER | 0 | -0.008 | 0.075 | 27.886 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 99 | VAL | 0 | 0.029 | -0.122 | 22.682 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 99 | VAL | 0 | -0.085 | 0.106 | 20.674 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 100 | PHE | 0 | 0.059 | -0.090 | 24.122 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 100 | PHE | 0 | -0.062 | 0.099 | 26.523 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 101 | TYR | 0 | 0.137 | -0.071 | 22.578 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 101 | TYR | 0 | -0.146 | 0.059 | 18.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 102 | LEU | 0 | 0.060 | -0.115 | 23.446 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 102 | LEU | 0 | -0.092 | 0.098 | 25.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 103 | ASP | 0 | 0.208 | -0.071 | 24.154 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 103 | ASP | -1 | -1.024 | -0.853 | 23.197 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 104 | GLY | 0 | 0.044 | -0.099 | 24.898 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 105 | ASP | 0 | 0.004 | -0.053 | 28.129 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 105 | ASP | -1 | -0.950 | -0.838 | 30.378 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 106 | LYS | 0 | 0.127 | -0.047 | 27.576 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 106 | LYS | 1 | 0.698 | 1.001 | 24.506 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 107 | ILE | 0 | -0.013 | -0.124 | 27.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | ILE | 0 | -0.071 | 0.105 | 28.903 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | GLN | 0 | 0.141 | -0.081 | 25.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | GLN | 0 | -0.068 | 0.084 | 22.951 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | SER | 0 | 0.032 | -0.068 | 25.769 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | SER | 0 | -0.030 | 0.074 | 27.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | THR | 0 | -0.012 | -0.089 | 24.017 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 110 | THR | 0 | -0.005 | 0.060 | 22.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 111 | GLN | 0 | 0.156 | -0.066 | 25.482 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 111 | GLN | 0 | -0.143 | 0.094 | 28.616 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 112 | LEU | 0 | 0.021 | -0.121 | 24.117 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 112 | LEU | 0 | -0.063 | 0.112 | 21.662 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 113 | SER | 0 | 0.049 | -0.081 | 24.850 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 113 | SER | 0 | -0.096 | 0.012 | 24.328 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 114 | SER | 0 | 0.113 | -0.062 | 25.060 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 114 | SER | 0 | -0.027 | 0.075 | 27.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 115 | LYS | 0 | 0.122 | -0.056 | 23.762 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 115 | LYS | 1 | 0.865 | 1.063 | 20.631 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 116 | GLU | 0 | 0.081 | -0.131 | 20.411 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 116 | GLU | -1 | -0.881 | -0.736 | 20.528 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 117 | TYR | 0 | 0.087 | -0.084 | 20.372 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 117 | TYR | 0 | -0.049 | 0.117 | 23.381 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 118 | ASN | 0 | 0.119 | -0.052 | 21.950 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 118 | ASN | 0 | -0.141 | 0.030 | 22.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 119 | ASN | 0 | 0.106 | -0.062 | 18.291 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 119 | ASN | 0 | -0.133 | 0.059 | 15.268 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 120 | LEU | 0 | 0.136 | -0.058 | 17.216 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 120 | LEU | 0 | -0.064 | 0.095 | 18.614 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 121 | LEU | 0 | 0.057 | -0.131 | 18.194 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 121 | LEU | 0 | -0.056 | 0.107 | 21.719 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 122 | SER | 0 | -0.002 | -0.089 | 17.843 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 122 | SER | 0 | -0.060 | 0.051 | 17.006 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 123 | SER | 0 | -0.044 | -0.086 | 14.491 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 123 | SER | 0 | -0.052 | 0.052 | 13.600 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 124 | LEU | 0 | 0.011 | -0.108 | 14.875 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 124 | LEU | 0 | -0.084 | 0.083 | 18.486 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 125 | PRO | 0 | -0.040 | -0.089 | 16.898 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 126 | PRO | 0 | 0.045 | 0.016 | 17.777 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 127 | LYS | 0 | 0.043 | 0.009 | 20.703 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 127 | LYS | 1 | 0.767 | 0.996 | 19.643 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 128 | GLN | 0 | 0.112 | -0.086 | 23.359 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 128 | GLN | 0 | -0.078 | 0.124 | 27.302 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 129 | PHE | 0 | 0.137 | -0.080 | 25.760 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 129 | PHE | 0 | -0.101 | 0.101 | 21.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 130 | ASN | 0 | 0.165 | -0.048 | 26.923 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 130 | ASN | 0 | -0.124 | 0.079 | 30.644 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 131 | LEU | 0 | 0.042 | -0.150 | 28.105 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 131 | LEU | 0 | -0.070 | 0.130 | 24.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 132 | GLY | 0 | 0.006 | -0.098 | 29.129 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 133 | LYS | 0 | 0.121 | -0.007 | 31.277 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 133 | LYS | 1 | 0.798 | 1.032 | 29.233 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 134 | VAL | 0 | 0.039 | -0.121 | 29.928 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 134 | VAL | 0 | -0.039 | 0.155 | 30.235 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 135 | HIS | 0 | -0.016 | -0.084 | 26.619 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 135 | HIS | 0 | -0.037 | 0.098 | 25.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 136 | THR | 0 | 0.119 | -0.073 | 26.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 136 | THR | 0 | -0.067 | 0.060 | 26.188 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 137 | ILE | 0 | 0.049 | -0.117 | 22.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 137 | ILE | 0 | -0.048 | 0.134 | 20.007 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 138 | THR | 0 | 0.069 | -0.072 | 21.852 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 138 | THR | 0 | -0.054 | 0.063 | 21.196 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 139 | ALA | 0 | 0.083 | -0.080 | 19.671 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 139 | ALA | 0 | -0.064 | 0.112 | 20.852 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 140 | PRO | 0 | -0.034 | -0.117 | 16.004 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 141 | VAL | 0 | 0.045 | -0.041 | 18.902 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 141 | VAL | 0 | -0.017 | 0.139 | 21.079 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 142 | SER | 0 | 0.009 | -0.073 | 22.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 142 | SER | 0 | -0.024 | 0.090 | 25.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 143 | GLY | 0 | -0.011 | -0.103 | 25.451 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 144 | ASN | 0 | 0.010 | 0.042 | 28.275 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 144 | ASN | 0 | -0.040 | 0.055 | 29.887 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 145 | PHE | 0 | 0.119 | -0.110 | 31.710 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 145 | PHE | 0 | -0.088 | 0.139 | 34.000 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 146 | LYS | 0 | 0.115 | -0.072 | 34.382 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 146 | LYS | 1 | 0.848 | 1.054 | 35.410 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 147 | THR | 0 | 0.030 | -0.076 | 32.518 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 147 | THR | 0 | -0.069 | 0.044 | 30.840 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 148 | HIS | 0 | 0.135 | -0.040 | 34.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 148 | HIS | 0 | -0.044 | 0.077 | 35.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 149 | LYS | 0 | 0.056 | -0.102 | 31.837 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 149 | LYS | 1 | 0.900 | 1.079 | 29.420 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 150 | PRO | 0 | 0.068 | -0.073 | 27.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 151 | ALA | 0 | 0.068 | -0.004 | 25.248 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 151 | ALA | 0 | -0.047 | 0.119 | 24.531 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 152 | PRO | 0 | 0.026 | -0.111 | 21.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 153 | GLU | 0 | 0.142 | 0.008 | 19.694 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 153 | GLU | -1 | -0.918 | -0.807 | 18.864 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 154 | VAL | 0 | 0.081 | -0.095 | 20.408 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 154 | VAL | 0 | -0.088 | 0.099 | 24.134 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 155 | ILE | 0 | 0.123 | -0.063 | 22.918 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 155 | ILE | 0 | -0.093 | 0.083 | 23.596 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 156 | GLU | 0 | 0.113 | -0.102 | 19.002 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 156 | GLU | -1 | -1.005 | -0.846 | 16.983 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 157 | THR | 0 | -0.001 | -0.090 | 18.558 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 157 | THR | 0 | -0.068 | 0.025 | 18.773 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 158 | ALA | 0 | 0.116 | -0.079 | 19.563 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 158 | ALA | 0 | -0.083 | 0.081 | 24.146 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 159 | ILE | 0 | 0.038 | -0.104 | 21.619 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 159 | ILE | 0 | -0.108 | 0.092 | 20.253 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 160 | ASN | 0 | 0.003 | -0.107 | 17.566 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 160 | ASN | 0 | -0.195 | 0.017 | 16.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 161 | CYS | 0 | 0.137 | -0.058 | 18.334 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 161 | CYS | 0 | -0.132 | 0.079 | 20.581 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 162 | CYS | 0 | 0.033 | -0.102 | 20.406 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 162 | CYS | 0 | -0.111 | 0.086 | 20.816 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 163 | THR | 0 | 0.052 | -0.079 | 22.235 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 163 | THR | 0 | -0.033 | 0.052 | 25.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 164 | SER | 0 | 0.132 | -0.082 | 25.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 164 | SER | 0 | -0.059 | 0.064 | 28.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 165 | ILE | 0 | 0.012 | -0.113 | 28.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 165 | ILE | 0 | -0.102 | 0.100 | 29.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 166 | ILE | 0 | -0.010 | -0.145 | 31.687 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 166 | ILE | 0 | -0.101 | 0.120 | 33.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 167 | PRO | 0 | -0.002 | -0.112 | 35.186 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 168 | ASN | 0 | 0.022 | 0.037 | 37.545 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 168 | ASN | 0 | -0.052 | 0.085 | 37.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 169 | ASP | 0 | 0.241 | -0.070 | 40.126 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 169 | ASP | -1 | -1.033 | -0.865 | 41.347 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 170 | ASP | 0 | 0.016 | -0.080 | 43.065 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 170 | ASP | -1 | -0.863 | -0.803 | 43.701 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 171 | TYR | 0 | 0.086 | -0.096 | 43.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 171 | TYR | 0 | -0.131 | 0.073 | 42.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 172 | PHE | 0 | 0.055 | -0.093 | 44.347 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 172 | PHE | 0 | -0.151 | 0.062 | 45.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 173 | HIS | 0 | 0.124 | -0.084 | 46.128 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 173 | HIS | 0 | -0.097 | 0.084 | 50.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 174 | VAL | 0 | 0.153 | -0.102 | 47.704 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 174 | VAL | 0 | -0.069 | 0.135 | 46.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 175 | LYS | 0 | 0.040 | -0.101 | 48.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 175 | LYS | 1 | 0.857 | 1.053 | 48.177 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 176 | ASP | 0 | 0.102 | -0.096 | 50.081 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 176 | ASP | -1 | -0.975 | -0.823 | 54.179 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 177 | THR | 0 | -0.019 | -0.130 | 50.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 177 | THR | 0 | -0.045 | 0.056 | 49.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 178 | ASP | 0 | 0.084 | -0.096 | 46.801 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 178 | ASP | -1 | -0.948 | -0.806 | 45.814 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 179 | PHE | 0 | 0.045 | -0.113 | 44.484 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 179 | PHE | 0 | -0.077 | 0.105 | 40.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 180 | ASN | 0 | 0.167 | -0.051 | 45.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 180 | ASN | 0 | -0.128 | 0.057 | 49.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 181 | SER | 0 | 0.053 | -0.078 | 46.157 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 181 | SER | 0 | -0.104 | 0.032 | 44.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 182 | VAL | 0 | 0.047 | -0.102 | 42.825 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 182 | VAL | 0 | -0.023 | 0.136 | 41.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 183 | TRP | 0 | 0.072 | -0.132 | 42.530 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 183 | TRP | 0 | -0.055 | 0.100 | 42.909 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 184 | HIS | 0 | 0.154 | -0.053 | 43.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 184 | HIS | 0 | -0.126 | 0.062 | 46.237 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 185 | ASP | 0 | 0.063 | -0.104 | 41.643 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 185 | ASP | -1 | -0.792 | -0.710 | 40.656 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 186 | ILE | 0 | 0.114 | -0.071 | 38.866 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 186 | ILE | 0 | -0.077 | 0.094 | 37.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 187 | TYR | 0 | 0.109 | -0.082 | 39.392 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 187 | TYR | 0 | -0.155 | 0.045 | 43.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 188 | ARG | 0 | 0.075 | -0.079 | 40.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 188 | ARG | 1 | 0.733 | 0.982 | 41.841 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 189 | ASP | 0 | 0.034 | -0.118 | 37.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 189 | ASP | -1 | -0.837 | -0.795 | 34.699 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 190 | ILE | 0 | 0.107 | -0.084 | 36.162 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 190 | ILE | 0 | -0.102 | 0.105 | 34.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 191 | ARG | 0 | 0.149 | -0.035 | 37.243 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 191 | ARG | 1 | 0.799 | 1.023 | 41.248 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 192 | ALA | 0 | 0.050 | -0.121 | 37.794 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 192 | ALA | 0 | -0.097 | 0.093 | 37.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 193 | SER | 0 | 0.045 | -0.091 | 33.871 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 193 | SER | 0 | -0.102 | 0.033 | 32.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 194 | ASP | 0 | 0.030 | -0.108 | 32.616 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 194 | ASP | -1 | -0.934 | -0.836 | 35.281 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 195 | SER | 0 | 0.004 | -0.068 | 32.790 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 195 | SER | 0 | -0.110 | 0.039 | 34.637 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 196 | ASN | 0 | 0.059 | -0.081 | 31.815 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 196 | ASN | 0 | -0.148 | 0.052 | 32.054 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 197 | SER | 0 | -0.001 | -0.110 | 27.671 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 197 | SER | 0 | -0.033 | 0.066 | 26.593 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 198 | THR | 0 | 0.011 | -0.058 | 27.302 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 198 | THR | 0 | -0.088 | 0.021 | 31.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 199 | LYS | 0 | 0.067 | -0.094 | 25.879 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 199 | LYS | 1 | 0.775 | 1.009 | 22.750 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 200 | ILE | 0 | 0.115 | -0.086 | 27.389 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 200 | ILE | 0 | -0.084 | 0.101 | 29.924 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 201 | TYR | 0 | 0.074 | -0.110 | 25.138 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 201 | TYR | 0 | -0.119 | 0.056 | 22.068 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 202 | PHE | 0 | 0.176 | -0.053 | 26.549 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 202 | PHE | 0 | -0.101 | 0.089 | 28.654 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 203 | ASN | 0 | 0.064 | -0.052 | 25.044 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 203 | ASN | 0 | -0.110 | 0.051 | 24.999 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 204 | ASN | 0 | 0.046 | -0.056 | 21.075 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 204 | ASN | 0 | -0.100 | 0.056 | 20.229 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 205 | ILE | 0 | 0.157 | -0.129 | 21.637 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 205 | ILE | 0 | -0.084 | 0.120 | 23.945 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 206 | GLU | 0 | 0.115 | -0.094 | 23.762 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 206 | GLU | -1 | -0.885 | -0.758 | 23.516 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 207 | ILE | 0 | 0.056 | -0.130 | 25.352 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 207 | ILE | 0 | -0.123 | 0.089 | 28.873 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 208 | PRO | 0 | -0.009 | -0.097 | 28.986 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 209 | LEU | 0 | 0.132 | -0.007 | 30.224 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 209 | LEU | 0 | -0.008 | 0.149 | 30.077 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 210 | LYS | 0 | 0.125 | -0.089 | 32.416 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 210 | LYS | 1 | 0.752 | 1.012 | 34.407 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 211 | LEU | 0 | 0.108 | -0.083 | 33.973 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 211 | LEU | 0 | -0.110 | 0.088 | 32.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 212 | ILE | 0 | 0.056 | -0.119 | 34.366 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 212 | ILE | 0 | -0.079 | 0.117 | 32.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 213 | ALA | 0 | 0.123 | -0.090 | 35.758 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 213 | ALA | 0 | -0.073 | 0.101 | 37.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 214 | ASP | 0 | 0.058 | -0.106 | 38.323 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 214 | ASP | -1 | -0.895 | -0.806 | 38.852 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 215 | LEU | 0 | 0.112 | -0.099 | 38.794 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 215 | LEU | 0 | -0.106 | 0.095 | 37.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 216 | ILE | 0 | 0.052 | -0.109 | 39.716 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 216 | ILE | 0 | -0.085 | 0.104 | 38.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 217 | ASN | 0 | 0.156 | -0.062 | 41.344 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 217 | ASN | 0 | -0.133 | 0.047 | 43.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 218 | GLU | 0 | 0.028 | -0.104 | 43.576 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 218 | GLU | -1 | -0.997 | -0.873 | 43.923 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 219 | LEU | 0 | -0.017 | -0.159 | 44.040 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 219 | LEU | 0 | -0.077 | 0.106 | 41.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 220 | GLY | 0 | -0.027 | -0.098 | 45.358 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 221 | ILE | 0 | 0.064 | -0.007 | 44.523 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 221 | ILE | 0 | -0.121 | 0.102 | 42.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 222 | ASN | 0 | 0.103 | -0.053 | 45.189 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 222 | ASN | 0 | -0.113 | 0.035 | 47.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 223 | GLU | 0 | 0.108 | -0.120 | 47.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 223 | GLU | -1 | -0.895 | -0.785 | 48.068 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 224 | PHE | 0 | -0.012 | -0.085 | 48.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 224 | PHE | 0 | -0.140 | 0.056 | 52.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 225 | ILE | 0 | 0.125 | -0.099 | 49.659 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 225 | ILE | 0 | -0.080 | 0.103 | 47.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 226 | ASP | 0 | 0.013 | -0.126 | 51.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 226 | ASP | -1 | -0.897 | -0.839 | 53.771 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 227 | SER | 0 | 0.037 | -0.081 | 49.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 227 | SER | 0 | -0.020 | 0.081 | 50.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 228 | LYS | 0 | 0.075 | -0.089 | 49.817 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 228 | LYS | 1 | 0.859 | 1.052 | 53.402 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 229 | LYS | 0 | 0.074 | -0.064 | 51.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 229 | LYS | 1 | 0.867 | 1.076 | 50.725 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 230 | GLU | 0 | 0.102 | -0.123 | 49.240 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 230 | GLU | -1 | -0.929 | -0.788 | 48.874 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 231 | LEU | 0 | -0.032 | -0.170 | 46.543 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 231 | LEU | 0 | -0.045 | 0.126 | 44.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 232 | GLN | 0 | 0.057 | -0.090 | 48.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 232 | GLN | 0 | -0.103 | 0.085 | 50.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 233 | MET | 0 | 0.158 | -0.104 | 45.819 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 233 | MET | 0 | -0.156 | 0.128 | 42.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 234 | LEU | 0 | 0.043 | -0.128 | 44.675 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 234 | LEU | 0 | -0.074 | 0.117 | 42.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 235 | SER | 0 | 0.086 | -0.056 | 45.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 235 | SER | 0 | -0.088 | 0.024 | 48.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 236 | TYR | 0 | 0.136 | -0.076 | 44.002 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 236 | TYR | 0 | -0.076 | 0.085 | 41.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 237 | ASN | 0 | 0.052 | -0.071 | 44.146 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 237 | ASN | 0 | -0.117 | 0.048 | 48.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 238 | GLN | 0 | 0.120 | -0.091 | 45.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 238 | GLN | 0 | 0.000 | 0.157 | 45.678 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 239 | VAL | 0 | 0.097 | -0.093 | 41.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 239 | VAL | 0 | -0.028 | 0.129 | 40.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 240 | ASN | 0 | 0.099 | -0.055 | 40.543 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 240 | ASN | 0 | -0.083 | 0.081 | 41.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 241 | LYS | 0 | 0.091 | -0.055 | 41.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 241 | LYS | 1 | 0.826 | 1.048 | 42.507 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 242 | ILE | 0 | 0.062 | -0.130 | 40.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 242 | ILE | 0 | -0.049 | 0.151 | 38.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 243 | ILE | 0 | 0.169 | -0.075 | 36.580 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 243 | ILE | 0 | -0.109 | 0.139 | 35.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 244 | ASN | 0 | 0.056 | -0.098 | 36.214 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 244 | ASN | 0 | -0.139 | 0.043 | 38.553 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 245 | SER | 0 | -0.027 | -0.095 | 37.896 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 245 | SER | 0 | -0.060 | 0.025 | 39.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 246 | ASN | 0 | 0.005 | -0.059 | 35.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 246 | ASN | 0 | -0.157 | 0.009 | 34.163 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 247 | PHE | 0 | 0.018 | -0.102 | 32.715 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 247 | PHE | 0 | -0.108 | 0.091 | 28.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 248 | PRO | 0 | 0.085 | -0.096 | 32.860 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 249 | GLN | 0 | 0.044 | -0.048 | 30.497 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 249 | GLN | 0 | -0.022 | 0.119 | 28.363 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 250 | GLN | 0 | 0.075 | -0.066 | 31.988 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 250 | GLN | 0 | -0.084 | 0.106 | 33.887 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 251 | ASP | 0 | 0.088 | -0.131 | 28.241 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 251 | ASP | -1 | -0.905 | -0.823 | 27.532 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 252 | LEU | 0 | 0.127 | -0.082 | 29.078 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 252 | LEU | 0 | -0.096 | 0.106 | 27.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 253 | CYS | 0 | 0.099 | -0.091 | 25.594 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 253 | CYS | 0 | -0.073 | 0.137 | 24.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 254 | PHE | 0 | 0.201 | -0.053 | 27.022 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 254 | PHE | 0 | -0.076 | 0.126 | 25.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 255 | GLN | 0 | 0.097 | -0.107 | 29.440 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 255 | GLN | 0 | -0.141 | 0.072 | 32.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 256 | THR | 0 | -0.007 | -0.103 | 29.516 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 256 | THR | 0 | -0.088 | 0.030 | 28.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 257 | GLU | 0 | 0.105 | -0.125 | 29.338 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 257 | GLU | -1 | -0.942 | -0.825 | 26.674 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 258 | LYS | 0 | 0.083 | -0.101 | 30.131 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 258 | LYS | 1 | 0.785 | 1.066 | 33.207 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 259 | LEU | 0 | 0.095 | -0.074 | 33.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 259 | LEU | 0 | -0.103 | 0.103 | 33.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 260 | LEU | 0 | 0.087 | -0.111 | 31.477 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 260 | LEU | 0 | -0.102 | 0.112 | 29.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 261 | PHE | 0 | 0.027 | -0.146 | 33.003 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 261 | PHE | 0 | -0.059 | 0.104 | 28.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 262 | THR | 0 | 0.091 | -0.070 | 34.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 262 | THR | 0 | -0.108 | 0.025 | 36.946 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 263 | SER | 0 | 0.057 | -0.016 | 36.723 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 263 | SER | 0 | -0.061 | 0.052 | 36.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 264 | LEU | 0 | 0.008 | -0.106 | 35.252 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 264 | LEU | 0 | -0.055 | 0.089 | 32.039 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 265 | PHE | 0 | 0.021 | -0.078 | 36.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 265 | PHE | 0 | 0.017 | 0.094 | 33.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 266 | GLN | 0 | 0.091 | -0.119 | 38.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 266 | GLN | 0 | -0.109 | 0.081 | 41.034 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 267 | ASP | 0 | 0.106 | -0.083 | 39.532 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 267 | ASP | -1 | -0.882 | -0.760 | 38.704 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 268 | PRO | 0 | 0.051 | -0.107 | 40.270 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 269 | ALA | 0 | 0.168 | 0.022 | 40.378 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 269 | ALA | 0 | -0.067 | 0.146 | 39.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 270 | PHE | 0 | 0.092 | -0.072 | 36.802 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 270 | PHE | 0 | -0.097 | 0.063 | 32.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 271 | ILE | 0 | 0.054 | -0.096 | 37.221 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 271 | ILE | 0 | -0.066 | 0.110 | 38.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 272 | SER | 0 | 0.006 | -0.106 | 39.414 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 272 | SER | 0 | -0.007 | 0.063 | 40.669 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 273 | ALA | 0 | 0.110 | -0.050 | 36.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 273 | ALA | 0 | -0.066 | 0.082 | 35.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 274 | LEU | 0 | 0.122 | -0.102 | 34.700 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 274 | LEU | 0 | -0.152 | 0.083 | 33.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 275 | THR | 0 | -0.011 | -0.109 | 35.736 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 275 | THR | 0 | -0.052 | 0.046 | 39.702 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 276 | SER | 0 | 0.025 | -0.100 | 38.791 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 276 | SER | 0 | 0.005 | 0.086 | 37.531 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 277 | ALA | 0 | 0.096 | -0.091 | 34.377 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 277 | ALA | 0 | -0.063 | 0.115 | 33.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 278 | PHE | 0 | 0.057 | -0.077 | 35.196 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 278 | PHE | 0 | -0.100 | 0.072 | 33.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 279 | TRP | 0 | 0.063 | -0.067 | 37.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 279 | TRP | 0 | -0.080 | 0.086 | 40.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 280 | GLN | 0 | 0.123 | -0.070 | 38.935 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 280 | GLN | 0 | -0.183 | 0.028 | 41.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 281 | SER | 0 | -0.015 | -0.111 | 39.855 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 281 | SER | 0 | -0.020 | 0.066 | 42.913 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 282 | LEU | 0 | 0.080 | -0.106 | 37.959 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 282 | LEU | 0 | -0.103 | 0.124 | 35.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 283 | HIS | 0 | 0.082 | -0.067 | 36.718 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 283 | HIS | 0 | -0.036 | 0.091 | 35.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 284 | ILE | 0 | 0.073 | -0.112 | 37.752 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 284 | ILE | 0 | -0.136 | 0.103 | 40.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 285 | THR | 0 | 0.044 | -0.113 | 40.193 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 285 | THR | 0 | -0.010 | 0.094 | 38.744 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 286 | SER | 0 | 0.063 | -0.078 | 41.477 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 286 | SER | 0 | -0.004 | 0.060 | 40.503 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 287 | SER | 0 | 0.002 | -0.039 | 42.791 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 287 | SER | 0 | -0.035 | 0.037 | 45.745 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 288 | SER | 0 | 0.025 | -0.102 | 41.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 288 | SER | 0 | -0.057 | 0.085 | 40.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 289 | VAL | 0 | 0.126 | -0.108 | 38.522 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 289 | VAL | 0 | -0.121 | 0.101 | 37.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 290 | GLU | 0 | 0.068 | -0.127 | 39.449 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 290 | GLU | -1 | -0.969 | -0.830 | 43.297 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 291 | HIS | 0 | 0.088 | -0.073 | 41.987 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 291 | HIS | 0 | -0.123 | 0.065 | 40.962 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 292 | ILE | 0 | 0.023 | -0.121 | 37.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 292 | ILE | 0 | -0.072 | 0.098 | 35.172 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 293 | TYR | 0 | 0.117 | -0.090 | 37.475 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 293 | TYR | 0 | -0.063 | 0.093 | 36.950 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 294 | ALA | 0 | 0.101 | -0.105 | 38.512 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 294 | ALA | 0 | -0.054 | 0.118 | 42.772 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 295 | GLN | 0 | 0.071 | -0.098 | 39.499 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 295 | GLN | 0 | -0.093 | 0.090 | 38.680 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 296 | ILE | 0 | 0.127 | -0.059 | 35.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 296 | ILE | 0 | -0.115 | 0.093 | 33.374 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 297 | MET | 0 | 0.065 | -0.128 | 36.918 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 297 | MET | 0 | -0.112 | 0.091 | 38.833 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 298 | SER | 0 | 0.004 | -0.078 | 39.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 298 | SER | 0 | -0.037 | 0.054 | 41.292 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 299 | GLU | 0 | 0.139 | -0.082 | 37.174 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 299 | GLU | -1 | -0.983 | -0.829 | 34.130 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 300 | ASN | 0 | 0.099 | -0.069 | 36.540 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 300 | ASN | 0 | -0.137 | 0.068 | 36.436 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 301 | ILE | 0 | 0.056 | -0.113 | 37.418 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 301 | ILE | 0 | -0.100 | 0.096 | 41.302 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 302 | GLU | 0 | 0.084 | -0.110 | 40.890 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 302 | GLU | -1 | -1.014 | -0.860 | 40.504 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 303 | ASN | 0 | 0.120 | -0.075 | 36.836 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 303 | ASN | 0 | -0.126 | 0.057 | 35.147 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 304 | ARG | 0 | 0.124 | -0.073 | 38.292 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 304 | ARG | 1 | 0.784 | 1.020 | 38.852 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 305 | LEU | 0 | 0.034 | -0.122 | 39.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 305 | LEU | 0 | -0.091 | 0.102 | 43.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 306 | ASN | 0 | 0.083 | -0.078 | 40.983 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 306 | ASN | 0 | -0.155 | 0.049 | 39.250 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 307 | PHE | 0 | 0.009 | -0.112 | 37.512 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 307 | PHE | 0 | -0.116 | 0.068 | 36.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 308 | MET | 0 | 0.083 | -0.070 | 38.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 308 | MET | 0 | -0.168 | 0.055 | 34.886 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 309 | PRO | 0 | 0.014 | -0.110 | 39.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 310 | GLU | 0 | 0.058 | 0.010 | 42.975 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 310 | GLU | -1 | -0.925 | -0.855 | 40.875 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 311 | GLN | 0 | 0.062 | -0.122 | 39.176 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 311 | GLN | 0 | -0.122 | 0.102 | 37.231 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 312 | ARG | 0 | 0.100 | -0.063 | 40.001 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 312 | ARG | 1 | 0.801 | 1.029 | 37.430 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 313 | VAL | 0 | -0.006 | -0.141 | 36.263 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 313 | VAL | 0 | -0.049 | 0.126 | 35.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 314 | ILE | 0 | 0.089 | -0.098 | 35.646 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 314 | ILE | 0 | -0.079 | 0.096 | 32.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 315 | ASN | 0 | 0.158 | -0.029 | 35.734 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 315 | ASN | 0 | -0.110 | 0.063 | 38.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 316 | ASN | 0 | 0.067 | -0.071 | 33.773 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 316 | ASN | 0 | -0.056 | 0.079 | 33.317 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 317 | CYS | 0 | 0.049 | -0.111 | 30.058 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 317 | CYS | 0 | -0.103 | 0.097 | 29.484 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 318 | GLY | 0 | 0.073 | -0.063 | 30.335 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 319 | HIS | 0 | 0.080 | 0.015 | 30.816 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 319 | HIS | 0 | -0.120 | 0.056 | 31.637 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 320 | ILE | 0 | 0.101 | -0.088 | 26.217 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 320 | ILE | 0 | -0.121 | 0.100 | 24.174 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 321 | ILE | 0 | 0.150 | -0.091 | 27.594 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 321 | ILE | 0 | -0.112 | 0.109 | 30.173 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 322 | LYS | 0 | 0.081 | -0.097 | 25.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 322 | LYS | 1 | 0.834 | 1.045 | 20.302 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 323 | ILE | 0 | 0.115 | -0.086 | 27.055 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 323 | ILE | 0 | -0.109 | 0.088 | 30.350 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 324 | ASN | 0 | 0.023 | -0.130 | 28.029 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 324 | ASN | 0 | -0.037 | 0.103 | 25.508 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 325 | ALA | 0 | 0.162 | -0.026 | 28.985 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 325 | ALA | 0 | -0.110 | 0.075 | 31.262 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 326 | VAL | 0 | -0.133 | -0.156 | 30.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 326 | VAL | 0 | 0.027 | 0.035 | 32.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 340 | ARG | 0 | 0.148 | 0.032 | 37.721 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 340 | ARG | 1 | 0.699 | 0.965 | 35.060 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 341 | ALA | 0 | 0.106 | -0.074 | 36.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 341 | ALA | 0 | -0.068 | 0.089 | 36.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 342 | TYR | 0 | 0.034 | -0.106 | 33.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 342 | TYR | 0 | -0.124 | 0.028 | 32.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 343 | GLU | 0 | 0.094 | -0.116 | 30.594 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 343 | GLU | -1 | -0.946 | -0.826 | 28.412 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 344 | VAL | 0 | 0.040 | -0.105 | 30.610 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 344 | VAL | 0 | -0.078 | 0.107 | 31.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 345 | SER | 0 | 0.083 | -0.080 | 27.856 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 345 | SER | 0 | -0.116 | 0.041 | 27.062 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 346 | SER | 0 | 0.026 | -0.078 | 28.984 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 346 | SER | 0 | -0.056 | 0.032 | 32.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 347 | SER | 0 | 0.039 | -0.102 | 28.043 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 347 | SER | 0 | -0.017 | 0.086 | 27.357 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 348 | ILE | 0 | 0.114 | -0.039 | 29.535 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 348 | ILE | 0 | -0.086 | 0.111 | 33.150 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 349 | LEU | 0 | -0.064 | -0.138 | 29.041 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 349 | LEU | 0 | -0.064 | 0.097 | 26.036 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 350 | PRO | 0 | 0.071 | -0.100 | 30.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 351 | SER | 0 | 0.112 | 0.049 | 31.604 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 351 | SER | 0 | -0.092 | 0.015 | 32.837 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 352 | HIS | 0 | 0.056 | -0.124 | 31.753 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 352 | HIS | 0 | -0.162 | 0.061 | 31.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 353 | ILE | 0 | 0.088 | -0.105 | 31.802 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 353 | ILE | 0 | -0.117 | 0.106 | 34.026 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 354 | THR | 0 | 0.051 | -0.050 | 30.987 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 354 | THR | 0 | -0.042 | 0.032 | 29.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 355 | CYS | 0 | 0.145 | -0.088 | 32.455 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 355 | CYS | 0 | -0.123 | 0.098 | 31.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 356 | ASN | 0 | 0.030 | -0.131 | 29.102 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 356 | ASN | 0 | -0.111 | 0.088 | 26.988 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 357 | GLY | 0 | 0.041 | -0.092 | 30.295 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 358 | VAL | 0 | 0.087 | -0.008 | 30.834 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 358 | VAL | 0 | -0.101 | 0.099 | 30.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 359 | GLY | 0 | 0.022 | -0.100 | 27.930 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 360 | ILE | 0 | 0.011 | -0.010 | 27.871 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 360 | ILE | 0 | -0.078 | 0.096 | 25.915 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 361 | ASN | 0 | 0.179 | -0.041 | 28.488 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 361 | ASN | 0 | -0.123 | 0.068 | 31.786 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 362 | LYS | 0 | 0.110 | -0.086 | 27.109 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 362 | LYS | 1 | 0.771 | 1.026 | 23.558 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 363 | ILE | 0 | 0.029 | -0.109 | 28.599 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 363 | ILE | 0 | -0.114 | 0.094 | 32.587 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 364 | GLU | 0 | 0.142 | -0.087 | 28.679 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 364 | GLU | -1 | -0.916 | -0.798 | 26.027 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 365 | THR | 0 | 0.012 | -0.109 | 30.126 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 365 | THR | 0 | -0.034 | 0.076 | 33.777 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 366 | SER | 0 | 0.052 | -0.069 | 30.657 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 366 | SER | 0 | -0.047 | 0.060 | 29.830 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 367 | TYR | 0 | 0.031 | -0.082 | 31.891 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 367 | TYR | 0 | -0.015 | 0.092 | 34.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 368 | LEU | 0 | 0.131 | -0.087 | 33.699 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 368 | LEU | 0 | -0.103 | 0.103 | 33.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 369 | VAL | 0 | 0.097 | -0.105 | 35.778 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 369 | VAL | 0 | -0.115 | 0.116 | 36.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 370 | HIS | 0 | 0.085 | -0.097 | 37.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 370 | HIS | 0 | -0.038 | 0.112 | 41.340 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 371 | ALA | 0 | 0.200 | -0.074 | 40.409 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 371 | ALA | 0 | -0.106 | 0.109 | 40.677 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 372 | GLY | 0 | -0.056 | -0.127 | 41.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 373 | THR | 0 | -0.059 | -0.012 | 42.833 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 373 | THR | 0 | -0.022 | 0.068 | 41.966 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 374 | LEU | 0 | 0.065 | -0.117 | 44.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 374 | LEU | 0 | -0.062 | 0.135 | 47.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 375 | PRO | 0 | 0.039 | -0.075 | 43.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 376 | SER | 0 | 0.061 | 0.006 | 44.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 376 | SER | 0 | -0.006 | 0.051 | 48.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 377 | SER | 0 | 0.051 | -0.077 | 46.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 377 | SER | 0 | -0.024 | 0.086 | 47.400 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 378 | GLU | 0 | 0.028 | -0.116 | 47.651 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 378 | GLU | -1 | -0.915 | -0.805 | 50.832 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 379 | GLY | 0 | 0.015 | -0.097 | 46.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 380 | LEU | 0 | 0.045 | 0.002 | 43.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 380 | LEU | 0 | -0.074 | 0.106 | 41.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 381 | ARG | 0 | 0.089 | -0.074 | 43.764 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 381 | ARG | 1 | 0.743 | 0.989 | 46.833 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 382 | ASN | 0 | 0.017 | -0.082 | 45.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 382 | ASN | 0 | -0.165 | 0.016 | 47.971 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 383 | ALA | 0 | 0.114 | -0.082 | 43.209 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 383 | ALA | 0 | -0.096 | 0.076 | 42.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 384 | ILE | 0 | -0.043 | -0.109 | 40.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 384 | ILE | 0 | -0.104 | 0.083 | 38.641 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 385 | PRO | 0 | 0.148 | -0.042 | 41.506 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 386 | PRO | 0 | 0.030 | -0.008 | 41.363 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 387 | GLU | 0 | 0.121 | 0.008 | 40.355 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 387 | GLU | -1 | -0.953 | -0.813 | 42.989 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 388 | SER | 0 | -0.051 | -0.126 | 39.142 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 388 | SER | 0 | -0.061 | 0.053 | 39.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 389 | ARG | 0 | 0.049 | -0.098 | 36.367 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 389 | ARG | 1 | 0.721 | 0.979 | 36.827 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 390 | GLN | 0 | 0.137 | -0.065 | 33.441 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 390 | GLN | 0 | -0.124 | 0.086 | 30.486 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 391 | VAL | 0 | 0.081 | -0.120 | 33.093 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 391 | VAL | 0 | -0.082 | 0.128 | 34.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 392 | SER | 0 | -0.030 | -0.100 | 29.773 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 392 | SER | 0 | -0.008 | 0.097 | 29.115 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 393 | PHE | 0 | 0.071 | -0.106 | 30.322 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 393 | PHE | 0 | -0.057 | 0.094 | 31.387 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 394 | ALA | 0 | 0.092 | -0.100 | 26.299 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 394 | ALA | 0 | -0.022 | 0.112 | 25.681 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 395 | ILE | 0 | 0.109 | -0.087 | 27.662 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 395 | ILE | 0 | -0.098 | 0.116 | 28.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 396 | ILE | 0 | 0.106 | -0.112 | 24.643 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 396 | ILE | 0 | -0.130 | 0.137 | 22.726 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 397 | SER | 0 | 0.069 | -0.111 | 24.841 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 397 | SER | 0 | -0.024 | 0.087 | 26.017 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 398 | PRO | 0 | -0.067 | -0.090 | 24.213 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 399 | ASP | 0 | -0.096 | -0.101 | 23.337 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 399 | ASP | -1 | -0.792 | -0.838 | 22.174 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |