FMODB ID: LZ6Y9
Calculation Name: 5CWW-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5CWW
Chain ID: B
UniProt ID: G0SAK3
Base Structure: X-ray
Registration Date: 2023-06-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
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 | 538 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10966096.522989 |
---|---|
FMO2-HF: Nuclear repulsion | 10759153.767051 |
FMO2-HF: Total energy | -206942.755938 |
FMO2-MP2: Total energy | -207551.873965 |
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:LYS)
Summations of interaction energy for
fragment #1(B:3:LYS)
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. |
-160.583 | -159.231 | -0.017 | -0.537 | -0.798 | 0.002 |
Interaction energy analysis for fragmet #1(B:3:LYS)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | B | 5 | LYS | 1 | 0.932 | 0.961 | 3.808 | 29.279 | 30.631 | -0.017 | -0.537 | -0.798 | 0.002 |
4 | B | 6 | SER | 0 | 0.021 | 0.023 | 6.195 | 2.279 | 2.279 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 7 | PHE | 0 | 0.026 | 0.006 | 7.930 | -1.254 | -1.254 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 8 | ALA | 0 | 0.093 | 0.050 | 9.851 | 1.904 | 1.904 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 9 | PRO | 0 | 0.038 | 0.037 | 9.283 | -2.824 | -2.824 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 10 | ALA | 0 | -0.011 | -0.028 | 7.785 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 11 | TRP | 0 | 0.024 | 0.013 | 8.799 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 12 | LEU | 0 | -0.019 | -0.012 | 11.266 | 1.575 | 1.575 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 13 | ASN | 0 | 0.000 | 0.016 | 7.604 | 1.808 | 1.808 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 14 | GLU | -1 | -0.922 | -0.934 | 9.449 | -17.880 | -17.880 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 15 | PRO | 0 | -0.102 | -0.063 | 7.910 | -1.944 | -1.944 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 16 | ALA | 0 | 0.009 | -0.003 | 10.831 | 1.169 | 1.169 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 17 | PRO | 0 | 0.003 | -0.012 | 12.668 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 18 | GLY | 0 | 0.073 | 0.030 | 15.392 | 0.686 | 0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 19 | HIS | 0 | 0.050 | 0.024 | 12.330 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 20 | LYS | 1 | 0.913 | 0.955 | 14.414 | 14.407 | 14.407 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 21 | LEU | 0 | -0.015 | -0.001 | 17.635 | 0.646 | 0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 22 | PHE | 0 | -0.003 | -0.004 | 15.879 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 23 | ALA | 0 | 0.042 | 0.043 | 15.220 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 24 | PRO | 0 | -0.040 | -0.009 | 17.068 | 0.795 | 0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 42 | LYS | 1 | 0.917 | 0.931 | 30.197 | 8.065 | 8.065 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 43 | PRO | 0 | 0.045 | 0.048 | 31.697 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 44 | GLY | 0 | 0.017 | 0.000 | 32.635 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 45 | PRO | 0 | 0.025 | 0.032 | 31.332 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 46 | ARG | 1 | 0.826 | 0.894 | 21.547 | 11.771 | 11.771 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 47 | ARG | 1 | 0.936 | 0.974 | 27.283 | 8.796 | 8.796 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 48 | THR | 0 | 0.008 | -0.008 | 24.236 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 49 | ILE | 0 | -0.006 | 0.004 | 21.311 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 50 | ALA | 0 | 0.028 | 0.031 | 25.612 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 51 | ARG | 1 | 0.902 | 0.945 | 26.078 | 10.420 | 10.420 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 52 | ARG | 1 | 0.858 | 0.927 | 28.051 | 9.461 | 9.461 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 53 | GLY | 0 | 0.037 | 0.031 | 29.010 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 54 | THR | 0 | 0.041 | 0.019 | 24.269 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 55 | GLU | -1 | -0.787 | -0.850 | 24.198 | -10.298 | -10.298 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 56 | ILE | 0 | 0.002 | -0.008 | 20.537 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 57 | PHE | 0 | -0.029 | -0.034 | 25.137 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 58 | VAL | 0 | 0.052 | 0.020 | 21.175 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 59 | ALA | 0 | -0.015 | -0.001 | 24.418 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 60 | CYS | 0 | -0.022 | -0.010 | 22.636 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 61 | GLY | 0 | 0.031 | 0.028 | 25.158 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 62 | LYS | 1 | 0.942 | 0.961 | 28.143 | 8.577 | 8.577 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 63 | GLN | 0 | -0.060 | -0.013 | 25.423 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 64 | ILE | 0 | 0.055 | 0.026 | 27.358 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 65 | ARG | 1 | 0.807 | 0.903 | 20.407 | 12.267 | 12.267 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 66 | TRP | 0 | -0.029 | -0.009 | 24.596 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 67 | GLY | 0 | 0.060 | 0.012 | 22.681 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 68 | ASP | -1 | -0.819 | -0.892 | 23.576 | -11.609 | -11.609 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 69 | LEU | 0 | 0.000 | -0.015 | 18.751 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 70 | ALA | 0 | 0.061 | 0.037 | 19.843 | -0.768 | -0.768 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 71 | GLN | 0 | 0.023 | 0.009 | 21.293 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 72 | LEU | 0 | -0.031 | -0.005 | 17.714 | -0.552 | -0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 73 | LYS | 1 | 0.932 | 0.979 | 16.528 | 15.709 | 15.709 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 74 | GLU | -1 | -0.873 | -0.937 | 17.099 | -13.757 | -13.757 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 75 | SER | 0 | -0.055 | -0.030 | 18.499 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 76 | TRP | 0 | -0.057 | -0.036 | 9.214 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 77 | GLU | -1 | -0.949 | -0.976 | 14.584 | -19.305 | -19.305 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 78 | SER | 0 | -0.087 | -0.043 | 16.552 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 79 | ARG | 1 | 0.912 | 0.980 | 9.843 | 24.365 | 24.365 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 80 | PRO | 0 | 0.000 | -0.003 | 17.687 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 81 | SER | 0 | -0.039 | -0.024 | 16.004 | -0.657 | -0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 98 | ASP | -1 | -0.933 | -0.990 | 24.489 | -10.905 | -10.905 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 99 | ASP | -1 | -0.945 | -0.979 | 27.213 | -9.169 | -9.169 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 100 | GLY | 0 | 0.045 | 0.019 | 24.886 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 101 | ALA | 0 | -0.006 | 0.003 | 25.629 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 102 | ALA | 0 | -0.005 | -0.005 | 25.341 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 103 | THR | 0 | -0.097 | -0.051 | 20.377 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 104 | ALA | 0 | 0.043 | 0.021 | 23.158 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 105 | GLY | 0 | 0.056 | 0.030 | 22.312 | -0.522 | -0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 106 | TYR | 0 | -0.028 | -0.032 | 21.478 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 107 | ARG | 1 | 0.922 | 0.970 | 23.610 | 9.763 | 9.763 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 108 | ILE | 0 | -0.040 | 0.009 | 24.842 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 109 | ILE | 0 | 0.024 | 0.007 | 27.422 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 110 | LYS | 1 | 0.926 | 0.959 | 29.962 | 8.992 | 8.992 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 111 | THR | 0 | -0.002 | -0.020 | 31.866 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 112 | PRO | 0 | -0.034 | -0.018 | 34.521 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 113 | VAL | 0 | -0.031 | 0.013 | 33.490 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 114 | ALA | 0 | 0.001 | -0.018 | 36.456 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 115 | ASP | -1 | -0.946 | -0.973 | 34.510 | -8.053 | -8.053 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 116 | ASP | -1 | -0.948 | -0.982 | 29.997 | -9.234 | -9.234 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 117 | ILE | 0 | -0.061 | -0.041 | 29.826 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 118 | ARG | 1 | 0.914 | 0.953 | 29.944 | 8.302 | 8.302 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 119 | GLN | 0 | -0.025 | -0.028 | 30.578 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 120 | LEU | 0 | -0.036 | -0.008 | 27.935 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 121 | VAL | 0 | 0.020 | 0.016 | 31.596 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 122 | MET | 0 | -0.019 | 0.003 | 31.058 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 123 | SER | 0 | -0.007 | 0.011 | 34.225 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 124 | PRO | 0 | 0.036 | 0.000 | 36.740 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 125 | ASN | 0 | 0.032 | 0.023 | 37.957 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 126 | GLN | 0 | -0.032 | -0.016 | 33.173 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 127 | ASP | -1 | -0.739 | -0.854 | 35.638 | -7.598 | -7.598 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 128 | PHE | 0 | -0.105 | -0.058 | 37.987 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 129 | LEU | 0 | 0.044 | 0.019 | 31.366 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 130 | ALA | 0 | -0.020 | 0.000 | 35.670 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 131 | VAL | 0 | -0.015 | -0.017 | 33.090 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 132 | LEU | 0 | 0.039 | 0.024 | 34.453 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 133 | THR | 0 | -0.019 | -0.044 | 34.084 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 134 | SER | 0 | 0.016 | -0.013 | 35.846 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 135 | HIS | 0 | 0.062 | 0.043 | 37.492 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 136 | THR | 0 | -0.036 | 0.044 | 38.976 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 137 | VAL | 0 | 0.072 | 0.029 | 38.987 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 138 | HIS | 0 | -0.014 | -0.013 | 37.685 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 139 | ILE | 0 | 0.017 | 0.013 | 38.231 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 140 | CYS | 0 | -0.056 | -0.017 | 35.261 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 141 | ILE | 0 | -0.020 | -0.018 | 37.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 142 | LEU | 0 | -0.013 | -0.002 | 32.835 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 143 | PRO | 0 | -0.059 | -0.020 | 32.946 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 144 | ASP | -1 | -0.817 | -0.926 | 34.597 | -8.351 | -8.351 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 145 | SER | 0 | 0.051 | -0.022 | 31.082 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 146 | SER | 0 | -0.007 | 0.008 | 31.101 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 147 | HIS | 1 | 0.814 | 0.919 | 32.234 | 8.308 | 8.308 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 148 | LEU | 0 | 0.003 | 0.013 | 25.930 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 149 | HIS | 0 | 0.023 | 0.018 | 27.192 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 150 | ILE | 0 | -0.006 | -0.007 | 25.034 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 151 | GLN | 0 | -0.038 | -0.024 | 29.299 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 152 | ASP | -1 | -0.840 | -0.872 | 32.344 | -8.070 | -8.070 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 153 | THR | 0 | -0.014 | -0.014 | 33.520 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 154 | THR | 0 | -0.112 | -0.078 | 36.152 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 155 | PRO | 0 | -0.027 | -0.021 | 36.582 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 156 | PHE | 0 | 0.019 | -0.001 | 31.041 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 157 | LYS | 1 | 0.916 | 0.956 | 35.439 | 7.132 | 7.132 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 158 | PRO | 0 | 0.053 | 0.031 | 33.631 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 159 | LYS | 1 | 0.939 | 0.988 | 36.958 | 6.772 | 6.772 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 160 | PHE | 0 | 0.041 | 0.009 | 33.669 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 161 | TRP | 0 | -0.051 | -0.027 | 39.802 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 162 | THR | 0 | -0.015 | -0.004 | 41.904 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 163 | LEU | 0 | 0.018 | 0.017 | 42.800 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 164 | GLY | 0 | 0.040 | 0.018 | 44.743 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 165 | PRO | 0 | -0.018 | -0.009 | 46.825 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 166 | THR | 0 | -0.050 | -0.026 | 47.860 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 167 | THR | 0 | -0.072 | -0.030 | 48.231 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 168 | HIS | 0 | 0.013 | 0.011 | 43.370 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 169 | VAL | 0 | 0.016 | 0.007 | 44.360 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 170 | THR | 0 | 0.028 | 0.002 | 41.615 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 171 | SER | 0 | -0.054 | -0.012 | 44.256 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 172 | ARG | 1 | 0.871 | 0.928 | 46.846 | 5.945 | 5.945 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 173 | SER | 0 | -0.004 | -0.003 | 46.084 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 174 | ALA | 0 | 0.029 | 0.021 | 40.688 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 175 | VAL | 0 | -0.022 | -0.017 | 38.851 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 176 | VAL | 0 | 0.007 | 0.022 | 38.983 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 177 | SER | 0 | 0.002 | -0.001 | 37.925 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 178 | ALA | 0 | -0.021 | -0.017 | 38.063 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 179 | VAL | 0 | 0.046 | 0.028 | 38.107 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 180 | TRP | 0 | -0.004 | -0.016 | 37.380 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 181 | HIS | 0 | 0.006 | -0.017 | 41.592 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 182 | PRO | 0 | 0.046 | 0.024 | 43.153 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 183 | LEU | 0 | -0.034 | -0.010 | 44.385 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 184 | GLY | 0 | 0.002 | 0.005 | 46.391 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 185 | VAL | 0 | 0.051 | 0.028 | 46.866 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 186 | ASN | 0 | -0.014 | -0.016 | 45.851 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 187 | GLY | 0 | 0.047 | 0.036 | 42.849 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 188 | HIS | 1 | 0.794 | 0.866 | 42.493 | 6.766 | 6.766 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 189 | ALA | 0 | 0.011 | 0.014 | 44.781 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 190 | LEU | 0 | -0.019 | -0.006 | 40.599 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 191 | VAL | 0 | 0.028 | 0.023 | 43.486 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 192 | THR | 0 | -0.048 | -0.005 | 42.237 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 193 | VAL | 0 | 0.052 | 0.017 | 42.903 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 194 | THR | 0 | -0.047 | -0.079 | 42.850 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 195 | GLU | -1 | -0.817 | -0.911 | 41.511 | -6.978 | -6.978 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 196 | ASP | -1 | -0.888 | -0.881 | 44.690 | -6.091 | -6.091 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 197 | ALA | 0 | 0.094 | 0.039 | 47.224 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 198 | ILE | 0 | -0.086 | -0.037 | 48.369 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 199 | VAL | 0 | 0.029 | 0.015 | 47.792 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 200 | ARG | 1 | 0.867 | 0.944 | 47.578 | 6.301 | 6.301 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 201 | VAL | 0 | 0.035 | 0.024 | 47.374 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 202 | TRP | 0 | 0.009 | -0.025 | 45.972 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 203 | GLU | -1 | -0.796 | -0.887 | 47.349 | -5.947 | -5.947 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 204 | LEU | 0 | -0.007 | 0.001 | 43.525 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 205 | SER | 0 | 0.050 | 0.012 | 47.585 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 206 | THR | 0 | -0.013 | -0.006 | 44.568 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 207 | ALA | 0 | -0.047 | -0.018 | 47.670 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 208 | ASP | -1 | -0.871 | -0.945 | 50.791 | -5.456 | -5.456 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 209 | ARG | 1 | 0.937 | 0.956 | 49.930 | 5.809 | 5.809 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 210 | TRP | 0 | 0.044 | 0.038 | 50.534 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 211 | THR | 0 | -0.038 | -0.022 | 49.721 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 212 | PHE | 0 | -0.009 | -0.013 | 43.649 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 213 | ASP | -1 | -0.902 | -0.950 | 47.920 | -5.991 | -5.991 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 214 | ALA | 0 | -0.027 | -0.027 | 50.481 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 215 | PRO | 0 | -0.036 | 0.003 | 50.057 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 216 | THR | 0 | -0.068 | -0.042 | 51.594 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 217 | LEU | 0 | -0.015 | -0.005 | 52.712 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 218 | ALA | 0 | -0.020 | -0.026 | 52.139 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 219 | ILE | 0 | 0.015 | 0.009 | 52.474 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 220 | ASP | -1 | -0.804 | -0.879 | 52.394 | -5.718 | -5.718 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 221 | LEU | 0 | 0.029 | 0.006 | 49.400 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 222 | LYS | 1 | 0.913 | 0.939 | 51.948 | 5.825 | 5.825 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 223 | LYS | 1 | 0.757 | 0.882 | 55.171 | 5.391 | 5.391 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 224 | LEU | 0 | -0.056 | -0.035 | 54.994 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 225 | ALA | 0 | 0.018 | 0.016 | 55.431 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 226 | ASP | -1 | -0.884 | -0.922 | 57.460 | -5.186 | -5.186 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 227 | ALA | 0 | -0.119 | -0.042 | 60.796 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 228 | THR | 0 | -0.067 | -0.055 | 62.806 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 229 | TYR | 0 | -0.051 | -0.051 | 65.755 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 230 | LEU | 0 | 0.014 | 0.007 | 63.386 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 231 | ASP | -1 | -0.843 | -0.908 | 63.633 | -4.592 | -4.592 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 232 | GLN | 0 | -0.031 | -0.003 | 64.120 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 233 | ASP | -1 | -0.910 | -0.958 | 61.810 | -5.046 | -5.046 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 234 | PHE | 0 | 0.048 | 0.022 | 57.815 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 235 | GLY | 0 | 0.030 | 0.047 | 57.061 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 236 | VAL | 0 | 0.014 | -0.009 | 53.400 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 237 | SER | 0 | -0.011 | -0.001 | 56.699 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 238 | THR | 0 | 0.024 | -0.007 | 55.778 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 239 | SER | 0 | -0.006 | -0.016 | 56.661 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 240 | ALA | 0 | -0.024 | 0.007 | 57.299 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 241 | THR | 0 | -0.019 | -0.010 | 54.398 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 242 | ASN | 0 | -0.039 | -0.024 | 54.086 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 243 | LYS | 1 | 0.955 | 0.983 | 49.857 | 5.920 | 5.920 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 244 | GLY | 0 | 0.011 | 0.012 | 54.955 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 245 | PHE | 0 | -0.040 | -0.037 | 55.687 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 246 | SER | 0 | 0.017 | -0.003 | 55.361 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 247 | PRO | 0 | 0.058 | 0.038 | 54.357 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 248 | ASP | -1 | -0.791 | -0.905 | 52.680 | -5.691 | -5.691 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 249 | ALA | 0 | -0.150 | -0.079 | 50.658 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 250 | PHE | 0 | 0.014 | -0.002 | 47.874 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 251 | ASP | -1 | -0.872 | -0.938 | 47.871 | -6.061 | -6.061 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 252 | MET | 0 | -0.081 | -0.030 | 49.177 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 253 | GLU | -1 | -0.896 | -0.915 | 43.656 | -6.860 | -6.860 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 254 | VAL | 0 | -0.050 | -0.037 | 42.579 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 255 | ALA | 0 | 0.006 | 0.004 | 39.397 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 256 | ALA | 0 | -0.027 | -0.035 | 37.922 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 257 | ALA | 0 | -0.012 | -0.001 | 40.003 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 258 | CYS | 0 | -0.074 | -0.011 | 39.317 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 259 | PHE | 0 | 0.016 | -0.008 | 41.195 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 260 | PRO | 0 | 0.006 | 0.012 | 41.145 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 261 | THR | 0 | 0.094 | 0.062 | 37.525 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 262 | ARG | 1 | 0.902 | 0.997 | 40.127 | 7.224 | 7.224 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 263 | ASP | -1 | -0.895 | -0.957 | 40.551 | -7.688 | -7.688 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 264 | SER | 0 | -0.089 | -0.081 | 43.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 265 | GLY | 0 | -0.034 | -0.028 | 45.501 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 266 | GLY | 0 | 0.060 | 0.029 | 49.194 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 267 | TRP | 0 | 0.090 | 0.011 | 51.790 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 268 | ALA | 0 | 0.054 | 0.065 | 46.484 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 269 | PRO | 0 | -0.034 | -0.020 | 46.490 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 270 | MET | 0 | -0.084 | -0.038 | 47.538 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 271 | THR | 0 | 0.021 | -0.001 | 48.198 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 272 | LEU | 0 | -0.092 | -0.035 | 44.528 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 273 | TRP | 0 | 0.100 | 0.039 | 43.943 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 274 | LEU | 0 | -0.057 | -0.050 | 44.081 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 275 | ALA | 0 | 0.070 | 0.045 | 41.452 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 276 | MET | 0 | -0.024 | 0.011 | 42.961 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 277 | THR | 0 | -0.025 | -0.044 | 40.722 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 278 | SER | 0 | -0.009 | -0.003 | 42.996 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 279 | GLY | 0 | 0.049 | 0.025 | 44.192 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 280 | ASP | -1 | -0.925 | -0.934 | 45.237 | -6.189 | -6.189 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 281 | VAL | 0 | -0.014 | -0.024 | 44.603 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 282 | TYR | 0 | 0.015 | -0.005 | 47.230 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 283 | ALA | 0 | 0.013 | 0.010 | 47.910 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 284 | LEU | 0 | -0.053 | -0.024 | 49.860 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 285 | CYS | 0 | -0.008 | 0.051 | 50.975 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 286 | PRO | 0 | 0.013 | 0.009 | 53.353 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 287 | LEU | 0 | -0.005 | -0.014 | 48.650 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 288 | LEU | 0 | 0.032 | 0.022 | 50.849 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 289 | PRO | 0 | -0.016 | -0.003 | 49.603 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 290 | GLN | 0 | -0.061 | -0.051 | 52.398 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 291 | ARG | 1 | 0.925 | 0.962 | 53.831 | 5.584 | 5.584 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 292 | TRP | 0 | -0.011 | -0.011 | 51.464 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 293 | THR | 0 | 0.045 | 0.009 | 49.390 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 294 | PRO | 0 | -0.035 | 0.004 | 49.693 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 295 | PRO | 0 | 0.027 | 0.013 | 48.177 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 296 | PRO | 0 | 0.063 | 0.011 | 50.279 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 297 | THR | 0 | 0.002 | -0.011 | 50.401 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 298 | LEU | 0 | -0.024 | 0.007 | 50.481 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 299 | ILE | 0 | 0.103 | 0.054 | 53.210 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 300 | PRO | 0 | 0.005 | 0.015 | 55.972 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 301 | SER | 0 | -0.053 | -0.030 | 54.406 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 302 | LEU | 0 | 0.030 | 0.006 | 54.342 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 303 | SER | 0 | 0.022 | 0.010 | 57.526 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 304 | ALA | 0 | -0.013 | -0.001 | 59.621 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 305 | SER | 0 | -0.014 | -0.003 | 57.255 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 306 | ILE | 0 | 0.010 | 0.007 | 59.821 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 307 | VAL | 0 | -0.023 | -0.020 | 62.266 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 308 | ALA | 0 | -0.010 | -0.007 | 62.341 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 309 | LYS | 1 | 0.940 | 0.986 | 61.300 | 5.132 | 5.132 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 310 | VAL | 0 | -0.026 | -0.025 | 64.196 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 311 | ALA | 0 | 0.005 | 0.016 | 67.503 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 312 | ALA | 0 | 0.035 | 0.029 | 65.873 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 313 | ALA | 0 | -0.037 | -0.023 | 67.446 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 314 | GLU | -1 | -1.033 | -1.017 | 69.038 | -4.326 | -4.326 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 315 | ASP | -1 | -0.940 | -0.974 | 71.141 | -4.395 | -4.395 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 316 | ASN | 0 | -0.026 | 0.000 | 68.768 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 317 | PRO | 0 | -0.028 | -0.017 | 72.240 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 318 | GLU | -1 | -1.010 | -1.014 | 71.761 | -4.375 | -4.375 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 319 | SER | 0 | 0.010 | 0.028 | 70.101 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 320 | THR | 0 | 0.030 | 0.011 | 68.338 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 321 | PRO | 0 | -0.093 | -0.079 | 70.362 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 322 | GLU | -1 | -0.844 | -0.924 | 66.980 | -4.567 | -4.567 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 323 | GLU | -1 | -0.868 | -0.928 | 65.116 | -4.860 | -4.860 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 324 | ARG | 1 | 0.956 | 0.971 | 66.478 | 4.325 | 4.325 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 325 | LEU | 0 | -0.066 | -0.023 | 66.848 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 326 | VAL | 0 | 0.053 | 0.030 | 61.455 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 327 | ALA | 0 | 0.029 | 0.020 | 63.911 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 328 | GLN | 0 | -0.001 | -0.012 | 65.558 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 329 | GLN | 0 | -0.030 | -0.017 | 63.752 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 330 | GLN | 0 | -0.031 | -0.027 | 59.281 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 331 | LEU | 0 | 0.021 | 0.019 | 62.878 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 332 | GLU | -1 | -0.932 | -0.975 | 65.715 | -4.605 | -4.605 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 333 | TRP | 0 | 0.003 | 0.001 | 56.485 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 334 | MET | 0 | 0.017 | 0.009 | 59.240 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 335 | SER | 0 | -0.043 | -0.019 | 62.923 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 336 | GLU | -1 | -0.923 | -0.983 | 63.248 | -4.732 | -4.732 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 337 | ILE | 0 | -0.093 | -0.048 | 58.570 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 338 | ASP | -1 | -0.862 | -0.930 | 62.469 | -4.939 | -4.939 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 339 | ASN | 0 | -0.118 | -0.045 | 65.058 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 340 | GLN | 0 | -0.015 | -0.004 | 60.347 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 341 | GLU | -1 | -0.924 | -0.959 | 63.511 | -4.884 | -4.884 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 342 | PRO | 0 | -0.024 | 0.017 | 58.266 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 343 | LYS | 1 | 0.894 | 0.933 | 58.328 | 5.173 | 5.173 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 344 | LEU | 0 | 0.038 | 0.016 | 56.094 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 345 | VAL | 0 | -0.098 | -0.058 | 52.546 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 346 | GLU | -1 | -0.907 | -0.957 | 49.355 | -6.200 | -6.200 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 347 | GLU | -1 | -0.890 | -0.912 | 44.378 | -6.938 | -6.938 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 348 | ALA | 0 | -0.089 | -0.054 | 44.593 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 349 | THR | 0 | -0.054 | -0.052 | 40.199 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 350 | GLY | 0 | 0.021 | 0.006 | 42.212 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 351 | GLU | -1 | -0.933 | -0.950 | 43.562 | -7.041 | -7.041 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 352 | ALA | 0 | -0.026 | -0.022 | 47.442 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 353 | THR | 0 | -0.037 | -0.002 | 49.438 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 354 | ILE | 0 | 0.008 | 0.000 | 49.764 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 355 | GLU | -1 | -0.887 | -0.944 | 52.612 | -5.490 | -5.490 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 356 | VAL | 0 | -0.066 | -0.032 | 53.004 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 357 | TYR | 0 | 0.034 | 0.003 | 55.292 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 358 | THR | 0 | -0.101 | -0.066 | 56.207 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 359 | ARG | 1 | 0.900 | 0.938 | 54.582 | 5.519 | 5.519 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 360 | PRO | 0 | 0.022 | 0.024 | 58.117 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 361 | SER | 0 | -0.063 | -0.037 | 60.725 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 362 | ARG | 1 | 0.879 | 0.974 | 63.243 | 4.564 | 4.564 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 363 | PRO | 0 | 0.062 | 0.015 | 62.406 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 364 | GLY | 0 | 0.000 | -0.011 | 62.630 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 365 | LEU | 0 | -0.055 | -0.021 | 58.496 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 366 | VAL | 0 | -0.026 | -0.008 | 56.244 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 367 | PRO | 0 | -0.010 | 0.020 | 54.553 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 368 | LYS | 1 | 0.974 | 0.951 | 56.999 | 5.216 | 5.216 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 369 | LEU | 0 | -0.015 | -0.003 | 51.623 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 370 | GLN | 0 | -0.061 | -0.029 | 53.262 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 371 | GLY | 0 | 0.068 | 0.036 | 52.416 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 372 | PRO | 0 | 0.002 | -0.013 | 51.300 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 373 | PHE | 0 | -0.085 | -0.050 | 49.607 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 374 | ASP | -1 | -0.913 | -0.945 | 50.765 | -5.919 | -5.919 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 375 | PHE | 0 | -0.052 | -0.029 | 45.991 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 376 | ASP | -1 | -0.790 | -0.909 | 49.648 | -5.912 | -5.912 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 377 | LEU | 0 | -0.062 | -0.049 | 49.045 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 378 | ASN | 0 | 0.000 | 0.023 | 46.306 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 379 | PRO | 0 | -0.040 | -0.022 | 43.230 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 380 | GLU | -1 | -0.950 | -0.968 | 46.298 | -6.114 | -6.114 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 381 | ASP | -1 | -1.000 | -1.008 | 46.905 | -6.395 | -6.395 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 382 | GLU | -1 | -0.788 | -0.868 | 43.682 | -7.154 | -7.154 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 383 | GLN | 0 | -0.080 | -0.053 | 41.340 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 384 | ASP | -1 | -0.868 | -0.944 | 42.853 | -6.794 | -6.794 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 385 | ASP | -1 | -0.973 | -0.997 | 37.543 | -8.008 | -8.008 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 386 | GLU | -1 | -0.870 | -0.930 | 38.485 | -7.856 | -7.856 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 387 | VAL | 0 | 0.005 | 0.034 | 40.403 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 388 | GLU | -1 | -0.872 | -0.899 | 39.662 | -7.522 | -7.522 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 389 | LEU | 0 | -0.021 | -0.005 | 39.538 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 390 | LYS | 1 | 0.811 | 0.873 | 35.234 | 8.104 | 8.104 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 391 | ASP | -1 | -0.834 | -0.912 | 33.948 | -8.743 | -8.743 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 392 | ILE | 0 | -0.022 | -0.015 | 36.876 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 393 | TYR | 0 | -0.043 | -0.029 | 35.418 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 394 | VAL | 0 | 0.035 | 0.010 | 38.073 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 395 | ILE | 0 | -0.016 | 0.000 | 36.919 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 396 | GLY | 0 | 0.012 | 0.007 | 40.719 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 397 | GLU | -1 | -0.933 | -0.949 | 43.758 | -6.344 | -6.344 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 398 | LYS | 1 | 0.900 | 0.948 | 41.491 | 7.428 | 7.428 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 399 | PRO | 0 | -0.019 | -0.018 | 46.294 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 400 | ARG | 1 | 0.992 | 1.010 | 48.740 | 5.857 | 5.857 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 421 | ASN | 0 | -0.024 | -0.032 | 41.952 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 422 | GLY | 0 | 0.006 | -0.018 | 41.469 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 423 | LEU | 0 | -0.010 | 0.012 | 42.944 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 424 | SER | 0 | -0.096 | -0.057 | 44.932 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 425 | LEU | 0 | 0.024 | -0.013 | 46.609 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 426 | ASN | 0 | -0.015 | -0.001 | 45.227 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 427 | ILE | 0 | -0.012 | -0.009 | 40.337 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 428 | ILE | 0 | -0.007 | 0.005 | 41.739 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 429 | CYS | 0 | -0.048 | -0.014 | 36.918 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 430 | LEU | 0 | 0.019 | 0.010 | 39.186 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 431 | LEU | 0 | -0.021 | -0.003 | 31.870 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 432 | SER | 0 | 0.044 | -0.003 | 36.475 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 433 | THR | 0 | -0.066 | -0.049 | 35.117 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 434 | SER | 0 | -0.010 | 0.001 | 33.837 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 435 | GLY | 0 | -0.027 | -0.021 | 31.952 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 436 | GLN | 0 | 0.022 | 0.035 | 32.873 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 437 | VAL | 0 | -0.019 | -0.010 | 32.980 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 438 | LYS | 1 | 0.798 | 0.866 | 36.140 | 7.171 | 7.171 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 439 | ILE | 0 | -0.032 | -0.023 | 36.588 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 440 | CYS | 0 | 0.028 | 0.010 | 40.536 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 441 | LEU | 0 | -0.027 | -0.019 | 43.703 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 442 | ASP | -1 | -0.757 | -0.871 | 46.362 | -6.095 | -6.095 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 443 | ILE | 0 | -0.051 | -0.028 | 49.114 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 444 | ASP | -1 | -0.891 | -0.941 | 51.876 | -5.622 | -5.622 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 445 | GLY | 0 | -0.035 | -0.008 | 52.213 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 446 | VAL | 0 | -0.064 | -0.044 | 50.615 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 447 | GLU | -1 | -0.858 | -0.944 | 52.975 | -5.405 | -5.405 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 448 | ALA | 0 | -0.063 | -0.055 | 55.432 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 449 | GLN | 0 | 0.021 | 0.005 | 57.201 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 450 | TRP | 0 | 0.048 | 0.033 | 58.541 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 451 | LEU | 0 | 0.005 | 0.010 | 61.187 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 452 | PRO | 0 | 0.010 | -0.004 | 63.345 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 453 | PRO | 0 | 0.072 | 0.046 | 67.079 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 454 | ARG | 1 | 0.873 | 0.899 | 68.670 | 4.510 | 4.510 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 455 | SER | 0 | -0.037 | -0.017 | 72.078 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 456 | LYS | 1 | 0.848 | 0.946 | 68.679 | 4.626 | 4.626 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 457 | ASN | 0 | -0.003 | -0.003 | 73.685 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 458 | LYS | 1 | 0.942 | 0.963 | 70.060 | 4.438 | 4.438 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 459 | ARG | 1 | 0.973 | 0.984 | 73.859 | 4.235 | 4.235 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 460 | LEU | 0 | 0.031 | 0.010 | 74.189 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 461 | PHE | 0 | -0.048 | -0.023 | 74.987 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 462 | ALA | 0 | -0.021 | -0.004 | 71.482 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 463 | PRO | 0 | 0.032 | 0.014 | 68.612 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 464 | PRO | 0 | -0.012 | 0.001 | 65.823 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 465 | PRO | 0 | -0.049 | -0.032 | 62.688 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 466 | GLU | -1 | -0.913 | -0.954 | 60.814 | -5.082 | -5.082 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 467 | PRO | 0 | -0.021 | 0.003 | 56.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 468 | PRO | 0 | -0.002 | 0.003 | 53.891 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 469 | SER | 0 | 0.051 | 0.036 | 52.948 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 470 | LEU | 0 | -0.052 | -0.021 | 46.503 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 471 | LEU | 0 | 0.034 | 0.028 | 48.144 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 472 | THR | 0 | 0.002 | -0.003 | 44.030 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 473 | PHE | 0 | -0.063 | -0.022 | 40.280 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 474 | GLN | 0 | 0.030 | 0.012 | 37.231 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 475 | THR | 0 | 0.051 | 0.023 | 39.259 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 476 | PHE | 0 | -0.103 | -0.046 | 32.444 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 477 | ASP | -1 | -0.825 | -0.892 | 32.851 | -8.775 | -8.775 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 478 | THR | 0 | -0.070 | -0.070 | 29.041 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 479 | LEU | 0 | -0.057 | -0.024 | 27.322 | -0.650 | -0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 480 | LYS | 1 | 0.941 | 0.962 | 24.598 | 12.102 | 12.102 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 481 | PRO | 0 | 0.132 | 0.049 | 30.025 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 482 | ALA | 0 | -0.076 | -0.039 | 28.569 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 483 | GLU | -1 | -0.901 | -0.936 | 24.656 | -12.000 | -12.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 484 | VAL | 0 | 0.042 | 0.045 | 28.366 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 485 | THR | 0 | -0.055 | -0.029 | 28.762 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 486 | PRO | 0 | -0.002 | -0.002 | 31.803 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 487 | ASP | -1 | -0.881 | -0.941 | 33.226 | -8.549 | -8.549 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 488 | GLY | 0 | -0.067 | -0.026 | 31.360 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 489 | TRP | 0 | 0.034 | -0.004 | 30.938 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 490 | PRO | 0 | -0.024 | -0.003 | 29.676 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 491 | MET | 0 | -0.045 | 0.009 | 27.119 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 492 | PHE | 0 | 0.051 | 0.019 | 29.893 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 493 | SER | 0 | -0.082 | -0.053 | 27.618 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 494 | GLU | -1 | -0.877 | -0.930 | 30.261 | -8.830 | -8.830 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 495 | ASP | -1 | -0.781 | -0.848 | 27.939 | -11.244 | -11.244 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 496 | ALA | 0 | -0.040 | -0.027 | 28.483 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 497 | THR | 0 | -0.032 | -0.026 | 28.422 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 498 | SER | 0 | -0.017 | -0.018 | 31.295 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 499 | PRO | 0 | 0.087 | 0.048 | 33.323 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 500 | TYR | 0 | 0.007 | 0.007 | 35.818 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 501 | SER | 0 | -0.017 | -0.004 | 30.265 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 502 | PHE | 0 | -0.013 | -0.009 | 30.494 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 503 | TYR | 0 | -0.076 | -0.068 | 24.736 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 504 | VAL | 0 | 0.059 | 0.035 | 27.531 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 505 | THR | 0 | -0.044 | -0.019 | 23.911 | -0.668 | -0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 506 | HIS | 0 | 0.131 | 0.056 | 25.063 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 507 | PRO | 0 | -0.014 | -0.011 | 23.631 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 508 | ALA | 0 | 0.025 | 0.043 | 22.561 | -0.569 | -0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 509 | GLY | 0 | -0.020 | -0.024 | 21.498 | -0.699 | -0.699 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 510 | ILE | 0 | -0.019 | -0.001 | 20.293 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 511 | THR | 0 | -0.021 | -0.019 | 22.929 | -0.478 | -0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 512 | TYR | 0 | 0.029 | 0.022 | 24.915 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 513 | ILE | 0 | 0.033 | 0.013 | 26.565 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 514 | SER | 0 | 0.021 | 0.020 | 30.284 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 515 | LEU | 0 | 0.053 | 0.028 | 32.616 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 516 | THR | 0 | -0.036 | 0.012 | 34.297 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 517 | PRO | 0 | 0.009 | -0.022 | 35.120 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 518 | TRP | 0 | 0.008 | -0.001 | 38.184 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 519 | VAL | 0 | 0.063 | 0.023 | 39.250 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 520 | PHE | 0 | 0.003 | -0.006 | 37.626 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 521 | ARG | 1 | 0.910 | 0.958 | 39.098 | 8.021 | 8.021 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 522 | LEU | 0 | 0.066 | 0.046 | 44.503 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 523 | GLU | -1 | -0.732 | -0.840 | 45.728 | -6.386 | -6.386 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 524 | SER | 0 | -0.104 | -0.054 | 46.870 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 525 | GLU | -1 | -0.794 | -0.897 | 48.658 | -6.005 | -6.005 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 526 | LEU | 0 | -0.029 | -0.012 | 49.195 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 527 | GLN | 0 | -0.126 | -0.069 | 49.678 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 528 | SER | 0 | -0.046 | -0.007 | 53.067 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 529 | ASP | -1 | -0.932 | -0.968 | 54.310 | -5.443 | -5.443 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 530 | SER | 0 | -0.109 | -0.048 | 56.642 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 531 | GLU | -1 | -0.922 | -0.960 | 58.288 | -4.977 | -4.977 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 532 | ALA | 0 | 0.001 | 0.004 | 60.371 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 533 | GLY | 0 | -0.006 | -0.017 | 57.114 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 534 | THR | 0 | 0.066 | 0.039 | 55.057 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 535 | GLU | -1 | -0.905 | -0.955 | 54.331 | -5.608 | -5.608 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 536 | PHE | 0 | -0.059 | -0.028 | 52.556 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 537 | ARG | 1 | 0.802 | 0.862 | 51.057 | 5.850 | 5.850 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 538 | ILE | 0 | 0.039 | 0.023 | 49.774 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 539 | ASP | -1 | -0.867 | -0.928 | 49.433 | -6.416 | -6.416 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 540 | LEU | 0 | -0.060 | -0.039 | 47.316 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 541 | LEU | 0 | -0.035 | -0.005 | 44.760 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 542 | ALA | 0 | -0.001 | -0.002 | 44.567 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 543 | LYS | 1 | 0.854 | 0.942 | 45.163 | 6.355 | 6.355 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 544 | GLY | 0 | -0.047 | -0.010 | 42.049 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 545 | GLN | 0 | -0.039 | -0.037 | 35.921 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 546 | GLY | 0 | -0.003 | 0.006 | 38.202 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 547 | SER | 0 | -0.052 | -0.026 | 34.983 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 548 | GLU | -1 | -0.935 | -0.964 | 30.084 | -10.390 | -10.390 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 549 | ARG | 1 | 0.923 | 0.950 | 29.345 | 9.293 | 9.293 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 550 | ASP | -1 | -0.935 | -0.960 | 23.107 | -13.176 | -13.176 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 551 | ARG | 1 | 0.757 | 0.868 | 21.321 | 12.106 | 12.106 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 552 | ILE | 0 | 0.054 | 0.033 | 19.689 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 553 | PHE | 0 | -0.045 | -0.032 | 14.831 | -1.047 | -1.047 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 554 | THR | 0 | -0.007 | -0.008 | 17.656 | 1.066 | 1.066 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 555 | GLN | 0 | -0.054 | -0.033 | 17.438 | -1.393 | -1.393 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 556 | THR | 0 | -0.010 | -0.015 | 16.468 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 557 | ARG | 1 | 0.864 | 0.922 | 15.248 | 15.616 | 15.616 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 558 | THR | 0 | 0.011 | 0.004 | 17.969 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 559 | GLN | 0 | 0.020 | 0.008 | 20.372 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 560 | SER | 0 | 0.024 | 0.020 | 20.024 | 0.402 | 0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 561 | PRO | 0 | 0.056 | 0.040 | 22.124 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 562 | LEU | 0 | -0.009 | -0.007 | 19.371 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 563 | ALA | 0 | -0.043 | -0.013 | 21.967 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 564 | ALA | 0 | 0.039 | 0.018 | 23.431 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 565 | ALA | 0 | -0.011 | 0.002 | 23.477 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 566 | THR | 0 | -0.037 | -0.022 | 23.526 | 0.607 | 0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 567 | SER | 0 | 0.004 | 0.019 | 23.760 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 568 | ILE | 0 | -0.058 | -0.050 | 22.538 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 569 | ASP | -1 | -0.828 | -0.925 | 24.403 | -11.764 | -11.764 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 570 | ASP | -1 | -0.850 | -0.908 | 24.571 | -11.535 | -11.535 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 571 | PRO | 0 | 0.000 | 0.006 | 25.342 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 572 | ASP | -1 | -0.914 | -0.956 | 24.412 | -12.071 | -12.071 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 573 | LEU | 0 | -0.198 | -0.133 | 19.715 | -0.915 | -0.915 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 574 | GLY | 0 | -0.007 | -0.003 | 20.361 | -0.936 | -0.936 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 575 | TYR | 0 | 0.008 | 0.003 | 22.319 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 576 | PHE | 0 | -0.056 | -0.043 | 18.952 | -0.804 | -0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 577 | ILE | 0 | 0.018 | 0.029 | 19.998 | 0.657 | 0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 578 | LEU | 0 | -0.022 | -0.014 | 18.125 | -0.875 | -0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 579 | SER | 0 | 0.008 | -0.022 | 18.778 | 0.633 | 0.633 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 580 | ALA | 0 | 0.000 | -0.020 | 17.559 | -0.566 | -0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 581 | THR | 0 | 0.029 | 0.024 | 15.813 | 0.667 | 0.667 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 582 | GLN | 0 | -0.046 | -0.038 | 18.478 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 583 | THR | 0 | -0.066 | -0.031 | 14.542 | 0.564 | 0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 584 | ASP | -1 | -0.861 | -0.928 | 12.295 | -18.262 | -18.262 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 585 | PRO | 0 | 0.000 | 0.007 | 12.274 | 0.857 | 0.857 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 586 | ILE | 0 | -0.052 | -0.025 | 13.594 | -0.999 | -0.999 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 587 | ALA | 0 | 0.007 | -0.001 | 14.357 | 0.925 | 0.925 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 588 | LEU | 0 | -0.025 | -0.009 | 14.128 | -1.467 | -1.467 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 589 | PHE | 0 | -0.025 | -0.026 | 15.329 | 0.589 | 0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 590 | PHE | 0 | -0.021 | -0.011 | 17.849 | -0.560 | -0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 591 | GLU | -1 | -0.925 | -0.956 | 20.677 | -12.095 | -12.095 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 592 | THR | 0 | -0.044 | -0.006 | 17.476 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 593 | PRO | 0 | -0.015 | 0.001 | 20.883 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |