FMODB ID: N15QQ
Calculation Name: 4I0O-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4I0O
Chain ID: A
UniProt ID: Q8CJF7
Base Structure: X-ray
Registration Date: 2023-06-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 463 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8760326.252086 |
---|---|
FMO2-HF: Nuclear repulsion | 8579843.611446 |
FMO2-HF: Total energy | -180482.640641 |
FMO2-MP2: Total energy | -181006.392152 |
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:3:ASP)
Summations of interaction energy for
fragment #1(A:3:ASP)
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. |
151.254 | 154.703 | 7.487 | -5.013 | -5.923 | 0.069 |
Interaction energy analysis for fragmet #1(A:3:ASP)
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 | A | 5 | THR | 0 | -0.005 | -0.004 | 3.506 | 0.427 | 2.002 | -0.005 | -0.634 | -0.936 | 0.004 |
4 | A | 6 | ALA | 0 | 0.029 | 0.011 | 5.840 | -2.411 | -2.411 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 7 | GLN | 0 | -0.068 | -0.021 | 9.615 | 0.729 | 0.729 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | VAL | 0 | 0.017 | -0.003 | 11.864 | -0.700 | -0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | THR | 0 | -0.059 | -0.037 | 15.162 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | SER | 0 | -0.043 | -0.024 | 18.257 | -0.688 | -0.688 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | ASP | -1 | -0.840 | -0.908 | 20.010 | 13.230 | 13.230 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | LEU | 0 | -0.023 | -0.004 | 22.202 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | LEU | 0 | -0.044 | -0.006 | 23.183 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | HIS | 0 | 0.009 | -0.004 | 26.249 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | PHE | 0 | -0.004 | 0.010 | 27.311 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | PRO | 0 | -0.027 | -0.019 | 31.103 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | GLU | -1 | -0.898 | -0.948 | 34.687 | 8.320 | 8.320 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | VAL | 0 | 0.018 | 0.006 | 35.908 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | THR | 0 | -0.063 | -0.046 | 32.919 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | ILE | 0 | -0.027 | -0.013 | 30.603 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | GLU | -1 | -0.929 | -0.965 | 33.936 | 7.840 | 7.840 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | ALA | 0 | -0.042 | -0.024 | 37.455 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | LEU | 0 | -0.056 | -0.041 | 31.688 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | GLY | 0 | 0.053 | 0.039 | 34.973 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | GLU | -1 | -0.964 | -0.973 | 35.719 | 7.373 | 7.373 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | ASP | -1 | -0.904 | -0.978 | 34.984 | 8.957 | 8.957 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | GLU | -1 | -0.930 | -0.972 | 36.454 | 8.459 | 8.459 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | ILE | 0 | -0.066 | -0.024 | 38.866 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | THR | 0 | -0.102 | -0.046 | 38.879 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | LEU | 0 | 0.004 | 0.040 | 36.869 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | GLU | -1 | -0.979 | -0.986 | 35.131 | 8.605 | 8.605 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | SER | 0 | -0.025 | -0.051 | 35.014 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | VAL | 0 | 0.005 | 0.012 | 29.030 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | LEU | 0 | 0.033 | 0.014 | 28.741 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | ARG | 1 | 0.865 | 0.933 | 28.471 | -9.139 | -9.139 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | GLY | 0 | 0.046 | 0.006 | 27.749 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | LYS | 1 | 0.786 | 0.888 | 23.378 | -12.709 | -12.709 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | PHE | 0 | 0.002 | -0.001 | 21.831 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | ALA | 0 | -0.043 | -0.017 | 26.777 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | ALA | 0 | 0.005 | -0.004 | 28.121 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | GLY | 0 | -0.013 | 0.012 | 29.200 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | LYS | 1 | 0.830 | 0.896 | 27.963 | -10.355 | -10.355 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | ASN | 0 | -0.084 | -0.053 | 32.197 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | GLY | 0 | 0.023 | 0.029 | 29.796 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | LEU | 0 | 0.010 | 0.020 | 30.506 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | ALA | 0 | 0.018 | 0.014 | 27.542 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | CYS | 0 | -0.060 | -0.018 | 29.491 | -0.509 | -0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | LEU | 0 | 0.024 | 0.007 | 28.099 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | ALA | 0 | -0.020 | -0.011 | 31.524 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | CYS | 0 | -0.007 | 0.004 | 32.913 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | GLY | 0 | 0.134 | 0.082 | 35.214 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | PRO | 0 | 0.004 | 0.020 | 38.416 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | GLN | 0 | -0.026 | -0.009 | 37.201 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | LEU | 0 | -0.003 | -0.009 | 35.348 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | GLU | -1 | -0.733 | -0.816 | 34.017 | 8.119 | 8.119 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | VAL | 0 | -0.012 | -0.020 | 33.633 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | VAL | 0 | 0.021 | 0.012 | 29.653 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | ASN | 0 | -0.002 | -0.010 | 30.460 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | SER | 0 | -0.034 | -0.033 | 26.418 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | LEU | 0 | -0.001 | -0.016 | 25.135 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | THR | 0 | -0.070 | -0.073 | 26.524 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | GLY | 0 | 0.061 | 0.047 | 28.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | GLU | -1 | -0.854 | -0.902 | 29.603 | 8.854 | 8.854 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | ARG | 1 | 0.857 | 0.893 | 33.328 | -8.021 | -8.021 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | LEU | 0 | -0.030 | -0.012 | 34.208 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | SER | 0 | -0.021 | -0.024 | 37.142 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | ALA | 0 | -0.036 | 0.001 | 37.658 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | TYR | 0 | -0.073 | -0.062 | 39.891 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | ARG | 1 | 0.853 | 0.926 | 39.953 | -7.485 | -7.485 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | PHE | 0 | -0.009 | -0.007 | 40.035 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | SER | 0 | -0.018 | -0.017 | 44.414 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | GLY | 0 | 0.044 | 0.022 | 47.847 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | VAL | 0 | -0.032 | -0.020 | 48.370 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | ASN | 0 | -0.087 | -0.055 | 50.719 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | GLU | -1 | -0.959 | -0.974 | 51.980 | 5.727 | 5.727 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | GLN | 0 | -0.062 | -0.033 | 47.602 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | PRO | 0 | -0.021 | -0.007 | 43.726 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | PRO | 0 | 0.011 | 0.027 | 43.548 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | VAL | 0 | -0.011 | -0.016 | 37.481 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | VAL | 0 | -0.009 | -0.009 | 36.141 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | LEU | 0 | -0.032 | 0.006 | 34.381 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | ALA | 0 | -0.016 | -0.006 | 34.237 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | VAL | 0 | 0.024 | 0.003 | 33.140 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | LYS | 1 | 0.814 | 0.887 | 31.145 | -9.374 | -9.374 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | GLU | -1 | -0.744 | -0.857 | 32.406 | 9.178 | 9.178 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | PHE | 0 | -0.011 | -0.009 | 35.127 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | SER | 0 | 0.038 | 0.011 | 38.578 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | TRP | 0 | 0.027 | 0.016 | 40.615 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | HIS | 0 | -0.023 | -0.024 | 44.154 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | LYS | 1 | 0.846 | 0.912 | 45.577 | -6.591 | -6.591 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | ARG | 1 | 0.911 | 0.966 | 44.562 | -6.567 | -6.567 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | THR | 0 | 0.029 | 0.003 | 38.223 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | GLY | 0 | 0.027 | 0.015 | 39.735 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | LEU | 0 | -0.015 | 0.003 | 35.351 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | LEU | 0 | 0.000 | 0.009 | 38.294 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | ILE | 0 | 0.007 | -0.011 | 37.559 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | GLY | 0 | 0.002 | 0.001 | 38.461 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | LEU | 0 | -0.011 | -0.007 | 39.187 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | GLU | -1 | -0.881 | -0.944 | 38.322 | 8.185 | 8.185 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | GLU | -1 | -0.868 | -0.965 | 41.806 | 6.872 | 6.872 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | ALA | 0 | 0.006 | 0.003 | 45.349 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | ASP | -1 | -0.873 | -0.916 | 47.438 | 6.209 | 6.209 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | GLY | 0 | -0.019 | -0.028 | 46.351 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | SER | 0 | -0.019 | -0.003 | 43.143 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | VAL | 0 | 0.032 | 0.024 | 44.543 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | LEU | 0 | -0.047 | -0.003 | 41.649 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | CYS | 0 | -0.004 | 0.001 | 43.023 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | LEU | 0 | -0.019 | -0.004 | 42.600 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | TYR | 0 | 0.022 | 0.004 | 39.906 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | ASP | -1 | -0.811 | -0.908 | 41.948 | 7.098 | 7.098 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | LEU | 0 | 0.004 | -0.021 | 37.323 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | GLY | 0 | -0.035 | -0.003 | 41.708 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | ILE | 0 | -0.068 | -0.041 | 44.632 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | SER | 0 | -0.019 | 0.000 | 42.209 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | ARG | 1 | 0.900 | 0.949 | 44.196 | -6.748 | -6.748 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | VAL | 0 | 0.004 | 0.019 | 44.725 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | VAL | 0 | -0.060 | -0.024 | 46.662 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | LYS | 1 | 0.835 | 0.912 | 47.850 | -6.234 | -6.234 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | ALA | 0 | 0.000 | 0.000 | 47.326 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | VAL | 0 | -0.012 | -0.002 | 47.245 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | VAL | 0 | 0.070 | 0.034 | 47.867 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | LEU | 0 | -0.039 | -0.021 | 43.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | PRO | 0 | -0.032 | -0.008 | 47.750 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | GLY | 0 | 0.010 | -0.006 | 45.711 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | ARG | 1 | 0.854 | 0.926 | 41.692 | -7.334 | -7.334 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | VAL | 0 | -0.004 | -0.014 | 38.891 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | THR | 0 | -0.022 | -0.030 | 35.636 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | ALA | 0 | -0.010 | 0.000 | 34.136 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | ILE | 0 | 0.017 | 0.002 | 35.558 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | GLU | -1 | -0.757 | -0.851 | 33.277 | 9.876 | 9.876 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | PRO | 0 | -0.015 | 0.014 | 35.883 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | ILE | 0 | -0.026 | -0.016 | 37.844 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | ILE | 0 | -0.050 | -0.032 | 40.232 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | ASN | 0 | 0.037 | 0.016 | 41.391 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | HIS | 0 | 0.008 | 0.010 | 43.390 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | GLY | 0 | 0.064 | 0.033 | 46.894 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | GLY | 0 | 0.043 | 0.034 | 49.675 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | ALA | 0 | -0.046 | -0.026 | 51.597 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | SER | 0 | -0.008 | -0.009 | 48.462 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | ALA | 0 | 0.042 | -0.002 | 47.901 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | SER | 0 | -0.036 | -0.032 | 44.747 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | THR | 0 | 0.089 | 0.053 | 44.805 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | GLN | 0 | -0.054 | -0.028 | 47.037 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | HIS | 0 | 0.022 | 0.024 | 41.383 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | LEU | 0 | 0.056 | 0.043 | 42.823 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | HIS | 0 | 0.070 | 0.034 | 46.027 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | PRO | 0 | -0.044 | -0.039 | 48.758 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | SER | 0 | -0.011 | -0.026 | 51.915 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | LEU | 0 | 0.048 | 0.016 | 45.564 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | ARG | 1 | 0.820 | 0.920 | 49.166 | -6.257 | -6.257 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | TRP | 0 | -0.034 | -0.018 | 50.804 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | LEU | 0 | -0.028 | 0.007 | 48.749 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | PHE | 0 | -0.052 | -0.041 | 49.741 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | GLY | 0 | 0.002 | 0.025 | 45.533 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | VAL | 0 | -0.019 | -0.018 | 44.146 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | ALA | 0 | 0.035 | 0.024 | 41.248 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | ALA | 0 | -0.004 | 0.002 | 39.206 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | VAL | 0 | 0.012 | 0.000 | 39.771 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | VAL | 0 | -0.025 | -0.005 | 36.870 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | THR | 0 | 0.036 | -0.004 | 39.998 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | ASP | -1 | -0.729 | -0.861 | 39.249 | 7.721 | 7.721 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | VAL | 0 | -0.017 | -0.003 | 40.295 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | GLY | 0 | 0.038 | 0.023 | 40.807 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | GLN | 0 | -0.043 | -0.011 | 41.861 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | ILE | 0 | 0.017 | -0.001 | 40.681 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | LEU | 0 | -0.006 | 0.002 | 43.106 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | LEU | 0 | 0.005 | -0.003 | 42.717 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | ILE | 0 | 0.038 | 0.017 | 44.977 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | ASP | -1 | -0.705 | -0.844 | 46.297 | 6.364 | 6.364 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | LEU | 0 | 0.009 | 0.006 | 43.315 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | CYS | 0 | -0.040 | -0.021 | 47.987 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | LEU | 0 | 0.021 | 0.006 | 45.734 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | ASP | -1 | -0.806 | -0.870 | 50.407 | 5.883 | 5.883 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | ASP | -1 | -0.747 | -0.853 | 53.780 | 5.613 | 5.613 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | LEU | 0 | -0.096 | -0.046 | 52.717 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | SER | 0 | -0.105 | -0.059 | 55.236 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | CYS | 0 | -0.006 | 0.001 | 54.949 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | SER | 0 | -0.016 | -0.012 | 52.832 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | GLN | 0 | -0.048 | -0.032 | 51.456 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | ASN | 0 | -0.011 | -0.034 | 49.720 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | GLU | -1 | -0.699 | -0.856 | 46.673 | 6.775 | 6.775 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | VAL | 0 | -0.028 | -0.008 | 48.785 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | GLU | -1 | -0.905 | -0.936 | 51.921 | 5.741 | 5.741 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | ALA | 0 | -0.033 | 0.002 | 50.102 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | SER | 0 | 0.023 | 0.027 | 51.987 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | ASP | -1 | -0.785 | -0.876 | 52.531 | 5.865 | 5.865 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | LEU | 0 | -0.030 | -0.019 | 48.493 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | GLU | -1 | -0.806 | -0.872 | 53.204 | 5.397 | 5.397 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | VAL | 0 | -0.024 | -0.021 | 50.805 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | ILE | 0 | -0.022 | -0.008 | 53.236 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | THR | 0 | 0.001 | -0.005 | 51.772 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | GLY | 0 | -0.025 | -0.009 | 50.998 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | ILE | 0 | -0.021 | -0.018 | 48.199 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | PRO | 0 | 0.000 | 0.027 | 52.225 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | ALA | 0 | 0.017 | 0.006 | 55.503 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | GLU | -1 | -0.909 | -0.980 | 58.193 | 5.021 | 5.021 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | VAL | 0 | 0.008 | 0.017 | 54.340 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | PRO | 0 | -0.013 | -0.003 | 57.635 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | HIS | 0 | 0.025 | 0.015 | 59.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | ILE | 0 | -0.038 | -0.008 | 57.679 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | ARG | 1 | 0.755 | 0.829 | 52.823 | -5.911 | -5.911 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | GLU | -1 | -0.819 | -0.881 | 58.136 | 5.082 | 5.082 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | ARG | 1 | 0.691 | 0.820 | 60.639 | -5.301 | -5.301 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | VAL | 0 | -0.019 | -0.012 | 56.238 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | MET | 0 | 0.029 | 0.013 | 55.776 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | ARG | 1 | 0.814 | 0.893 | 58.872 | -5.002 | -5.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | GLU | -1 | -0.920 | -0.948 | 61.630 | 5.024 | 5.024 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | GLY | 0 | -0.002 | 0.010 | 59.219 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | ARG | 1 | 0.780 | 0.873 | 56.101 | -5.495 | -5.495 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | HIS | 0 | 0.012 | -0.005 | 50.238 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | LEU | 0 | -0.030 | -0.020 | 53.019 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | CYS | 0 | -0.049 | -0.026 | 48.130 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | PHE | 0 | -0.021 | -0.013 | 48.785 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | GLN | 0 | 0.074 | 0.038 | 47.328 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | LEU | 0 | -0.010 | -0.009 | 43.261 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | VAL | 0 | -0.018 | -0.020 | 47.152 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | SER | 0 | 0.017 | 0.008 | 43.381 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | PRO | 0 | -0.053 | -0.028 | 43.864 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | LEU | 0 | 0.000 | 0.010 | 44.227 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | GLY | 0 | -0.030 | -0.019 | 44.091 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | VAL | 0 | -0.049 | -0.018 | 37.687 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | ALA | 0 | 0.034 | 0.040 | 36.845 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | ILE | 0 | -0.022 | 0.000 | 35.797 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | SER | 0 | 0.009 | -0.013 | 31.057 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | THR | 0 | -0.006 | 0.003 | 29.156 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | LEU | 0 | -0.026 | -0.009 | 31.786 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | SER | 0 | -0.044 | -0.028 | 30.911 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | TYR | 0 | -0.048 | -0.045 | 32.942 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | ILE | 0 | 0.036 | 0.029 | 30.240 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | ASN | 0 | -0.019 | -0.019 | 33.349 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | ARG | 1 | 0.827 | 0.890 | 31.675 | -9.676 | -9.676 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | THR | 0 | 0.034 | 0.003 | 33.302 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | ASN | 0 | -0.015 | 0.001 | 36.091 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | GLN | 0 | 0.020 | 0.019 | 35.062 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | LEU | 0 | -0.003 | -0.009 | 35.733 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | ALA | 0 | 0.014 | 0.008 | 32.386 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | VAL | 0 | -0.018 | -0.021 | 34.423 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | GLY | 0 | 0.032 | 0.015 | 32.023 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | PHE | 0 | -0.025 | -0.012 | 33.098 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | SER | 0 | 0.051 | 0.009 | 32.488 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | ASP | -1 | -0.798 | -0.911 | 32.824 | 9.014 | 9.014 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 242 | GLY | 0 | 0.074 | 0.043 | 30.801 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 243 | TYR | 0 | -0.097 | -0.045 | 31.670 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 244 | LEU | 0 | 0.035 | 0.016 | 29.897 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 245 | ALA | 0 | -0.052 | -0.032 | 33.585 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 246 | LEU | 0 | 0.016 | 0.019 | 32.994 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 247 | TRP | 0 | 0.011 | -0.014 | 37.016 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 248 | ASN | 0 | 0.011 | 0.013 | 39.953 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 249 | MET | 0 | 0.032 | 0.010 | 40.416 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 250 | LYS | 1 | 0.828 | 0.907 | 42.994 | -6.790 | -6.790 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 251 | SER | 0 | -0.036 | -0.034 | 45.023 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 252 | MET | 0 | -0.039 | -0.006 | 44.722 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 253 | LYS | 1 | 0.888 | 0.946 | 44.943 | -6.607 | -6.607 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 254 | ARG | 1 | 0.939 | 0.983 | 40.479 | -7.613 | -7.613 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 255 | GLU | -1 | -0.842 | -0.900 | 39.449 | 7.858 | 7.858 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 256 | TYR | 0 | 0.035 | 0.006 | 33.103 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 257 | TYR | 0 | -0.028 | -0.037 | 37.345 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 258 | THR | 0 | -0.020 | 0.019 | 33.971 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 259 | GLN | 0 | -0.048 | -0.024 | 32.143 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 260 | LEU | 0 | 0.014 | 0.020 | 27.369 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 261 | GLU | -1 | -0.897 | -0.960 | 26.881 | 11.486 | 11.486 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 262 | GLY | 0 | -0.022 | -0.002 | 26.113 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 263 | GLY | 0 | -0.028 | -0.001 | 26.723 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 264 | ARG | 1 | 0.782 | 0.869 | 30.401 | -8.961 | -8.961 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 265 | VAL | 0 | 0.034 | 0.022 | 25.938 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 266 | PRO | 0 | 0.035 | 0.023 | 28.717 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 267 | VAL | 0 | -0.039 | -0.006 | 27.676 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 268 | HIS | 0 | -0.007 | 0.013 | 24.814 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 269 | ALA | 0 | 0.009 | 0.001 | 23.823 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 270 | VAL | 0 | -0.028 | -0.025 | 25.918 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 271 | ALA | 0 | -0.006 | -0.001 | 23.070 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 272 | PHE | 0 | 0.036 | 0.010 | 25.112 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 273 | GLN | 0 | 0.030 | 0.040 | 20.583 | 0.924 | 0.924 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 274 | GLU | -1 | -0.772 | -0.855 | 25.634 | 9.345 | 9.345 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 275 | PRO | 0 | 0.013 | 0.015 | 25.635 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 276 | GLU | -1 | -0.913 | -0.972 | 26.054 | 11.031 | 11.031 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 277 | ASN | 0 | -0.074 | -0.037 | 27.860 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 278 | ASP | -1 | -0.681 | -0.811 | 29.074 | 10.363 | 10.363 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 279 | PRO | 0 | -0.059 | -0.019 | 31.517 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 280 | ARG | 1 | 0.808 | 0.883 | 34.242 | -8.855 | -8.855 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 281 | ASN | 0 | 0.000 | 0.012 | 34.353 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 282 | CYS | 0 | -0.030 | -0.028 | 30.280 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 283 | CYS | 0 | -0.087 | -0.021 | 29.283 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 284 | TYR | 0 | 0.028 | -0.010 | 25.568 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 285 | LEU | 0 | -0.024 | -0.010 | 27.080 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 286 | TRP | 0 | 0.024 | 0.019 | 18.446 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 287 | ALA | 0 | -0.013 | -0.007 | 24.356 | -0.469 | -0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 288 | VAL | 0 | -0.006 | -0.005 | 21.410 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 289 | GLN | 0 | -0.038 | -0.022 | 23.515 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 290 | SER | 0 | 0.010 | -0.023 | 22.676 | 0.825 | 0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 291 | THR | 0 | 0.025 | -0.015 | 23.942 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 292 | GLN | 0 | -0.013 | 0.017 | 22.289 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 293 | ASP | -1 | -0.900 | -0.943 | 24.228 | 11.589 | 11.589 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 294 | SER | 0 | -0.124 | -0.094 | 27.358 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 295 | GLU | -1 | -0.880 | -0.904 | 26.155 | 10.726 | 10.726 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 296 | GLY | 0 | -0.043 | -0.016 | 22.699 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 297 | ASP | -1 | -0.849 | -0.912 | 20.943 | 13.748 | 13.748 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 298 | VAL | 0 | -0.026 | -0.012 | 21.125 | 0.562 | 0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 299 | LEU | 0 | -0.037 | -0.015 | 17.074 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 300 | SER | 0 | 0.062 | 0.043 | 18.907 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 301 | LEU | 0 | -0.024 | -0.007 | 16.417 | -0.804 | -0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 302 | HIS | 1 | 0.819 | 0.882 | 20.648 | -13.233 | -13.233 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 303 | LEU | 0 | 0.000 | 0.016 | 21.476 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 304 | LEU | 0 | 0.018 | 0.004 | 23.841 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 305 | GLN | 0 | 0.023 | 0.003 | 27.563 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 306 | LEU | 0 | -0.010 | -0.018 | 29.051 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 307 | ALA | 0 | 0.024 | 0.033 | 32.326 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 308 | PHE | 0 | -0.005 | -0.021 | 33.791 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 309 | GLY | 0 | 0.032 | 0.022 | 37.901 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 310 | ASP | -1 | -0.920 | -0.953 | 40.729 | 7.269 | 7.269 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 311 | ARG | 1 | 0.815 | 0.898 | 33.340 | -8.862 | -8.862 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 312 | LYS | 1 | 0.847 | 0.912 | 39.690 | -7.078 | -7.078 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 313 | CYS | 0 | -0.004 | 0.001 | 41.237 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 314 | LEU | 0 | -0.020 | -0.007 | 41.100 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 315 | ALA | 0 | 0.013 | -0.003 | 44.152 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 316 | SER | 0 | -0.050 | -0.032 | 42.541 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 317 | GLY | 0 | 0.003 | 0.002 | 42.127 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 318 | GLN | 0 | -0.003 | 0.018 | 35.545 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 319 | ILE | 0 | 0.013 | 0.002 | 36.095 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 320 | LEU | 0 | -0.044 | -0.020 | 37.093 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 321 | TYR | 0 | -0.053 | -0.045 | 32.183 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 322 | GLU | -1 | -0.844 | -0.910 | 37.509 | 7.073 | 7.073 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 323 | GLY | 0 | 0.004 | -0.005 | 40.676 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 324 | LEU | 0 | -0.018 | 0.003 | 35.291 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 325 | GLU | -1 | -0.893 | -0.932 | 38.295 | 7.966 | 7.966 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 326 | TYR | 0 | -0.068 | -0.054 | 32.398 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 327 | CYS | 0 | -0.004 | -0.009 | 32.549 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 328 | GLU | -1 | -0.903 | -0.930 | 30.551 | 9.947 | 9.947 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 329 | GLU | -1 | -0.743 | -0.836 | 25.313 | 12.839 | 12.839 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 330 | ARG | 1 | 0.851 | 0.902 | 26.005 | -11.383 | -11.383 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 331 | TYR | 0 | -0.024 | -0.005 | 15.729 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 332 | THR | 0 | -0.012 | -0.008 | 21.488 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 333 | LEU | 0 | -0.050 | -0.028 | 14.018 | 0.687 | 0.687 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 334 | ASP | -1 | -0.817 | -0.880 | 18.162 | 15.368 | 15.368 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 335 | LEU | 0 | -0.088 | -0.049 | 13.443 | 1.403 | 1.403 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 336 | ALA | 0 | -0.047 | -0.024 | 14.837 | 1.079 | 1.079 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 337 | GLY | 0 | -0.015 | -0.023 | 17.527 | -0.951 | -0.951 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 346 | THR | 0 | 0.056 | 0.024 | 20.547 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 347 | SER | 0 | -0.082 | -0.070 | 17.137 | 1.230 | 1.230 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 348 | ASN | 0 | 0.019 | 0.034 | 18.711 | -1.052 | -1.052 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 349 | THR | 0 | -0.019 | -0.015 | 16.303 | 1.313 | 1.313 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 350 | LYS | 1 | 0.923 | 0.977 | 18.041 | -15.899 | -15.899 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 351 | LEU | 0 | 0.014 | 0.004 | 18.068 | 1.159 | 1.159 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 352 | LEU | 0 | -0.042 | -0.021 | 16.454 | -0.717 | -0.717 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 353 | GLY | 0 | 0.040 | -0.002 | 18.930 | -1.028 | -1.028 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 354 | CYS | 0 | -0.026 | -0.009 | 18.837 | 0.924 | 0.924 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 355 | GLN | 0 | -0.001 | 0.007 | 19.686 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 356 | SER | 0 | 0.027 | -0.015 | 19.874 | 0.855 | 0.855 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 357 | ILE | 0 | -0.058 | -0.023 | 18.949 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 358 | GLU | -1 | -0.803 | -0.873 | 21.980 | 12.012 | 12.012 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 359 | ARG | 1 | 0.756 | 0.879 | 21.003 | -13.310 | -13.310 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 360 | PHE | 0 | 0.011 | 0.016 | 26.219 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 361 | PRO | 0 | -0.020 | 0.005 | 29.291 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 374 | LEU | 0 | -0.030 | -0.031 | 34.234 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 375 | SER | 0 | 0.006 | 0.002 | 29.769 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 376 | PRO | 0 | -0.036 | -0.006 | 26.091 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 377 | ASP | -1 | -0.774 | -0.887 | 25.085 | 11.860 | 11.860 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 378 | THR | 0 | -0.083 | -0.054 | 20.279 | 0.751 | 0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 379 | SER | 0 | -0.011 | -0.033 | 21.870 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 380 | VAL | 0 | -0.006 | -0.017 | 17.183 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 381 | SER | 0 | -0.021 | -0.025 | 17.797 | -0.504 | -0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 382 | VAL | 0 | -0.012 | 0.006 | 14.689 | 1.142 | 1.142 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 383 | PHE | 0 | 0.026 | 0.005 | 14.921 | -1.183 | -1.183 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 384 | THR | 0 | 0.024 | 0.003 | 14.078 | 1.967 | 1.967 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 385 | TRP | 0 | 0.012 | 0.009 | 10.987 | -1.297 | -1.297 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 386 | GLN | 0 | 0.005 | -0.007 | 13.902 | 1.191 | 1.191 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 387 | VAL | 0 | 0.038 | 0.015 | 12.742 | -0.940 | -0.940 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 388 | ASN | 0 | 0.019 | 0.013 | 14.236 | 1.001 | 1.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 389 | ILE | 0 | 0.034 | 0.025 | 12.844 | -0.480 | -0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 390 | TYR | 0 | 0.001 | -0.005 | 17.074 | -0.595 | -0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 391 | GLY | 0 | 0.003 | -0.004 | 20.419 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 392 | GLN | 0 | -0.055 | -0.022 | 12.817 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 393 | GLY | 0 | -0.020 | -0.014 | 18.406 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 394 | LYS | 1 | 0.864 | 0.918 | 15.091 | -17.487 | -17.487 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 395 | PRO | 0 | -0.010 | 0.013 | 14.693 | 0.626 | 0.626 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 396 | SER | 0 | 0.005 | -0.009 | 9.262 | 0.699 | 0.699 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 397 | VAL | 0 | -0.046 | -0.038 | 10.780 | -2.116 | -2.116 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 398 | TYR | 0 | -0.014 | -0.002 | 6.069 | 3.654 | 3.654 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 399 | LEU | 0 | 0.011 | 0.009 | 9.860 | -2.721 | -2.721 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 400 | GLY | 0 | 0.018 | 0.005 | 9.781 | 2.512 | 2.512 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 401 | LEU | 0 | -0.035 | -0.012 | 11.106 | -2.121 | -2.121 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 402 | PHE | 0 | 0.036 | 0.022 | 12.578 | 1.244 | 1.244 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 403 | ASP | -1 | -0.816 | -0.924 | 15.267 | 15.361 | 15.361 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 404 | ILE | 0 | 0.016 | 0.015 | 17.583 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 405 | ASN | 0 | 0.054 | 0.038 | 21.025 | -0.561 | -0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 406 | ARG | 1 | 0.775 | 0.863 | 16.624 | -16.761 | -16.761 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 407 | TRP | 0 | -0.013 | -0.008 | 18.982 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 408 | TYR | 0 | -0.005 | -0.030 | 19.903 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 409 | HIS | 0 | -0.032 | -0.006 | 20.154 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 410 | ALA | 0 | -0.067 | -0.027 | 18.310 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 411 | GLN | 0 | -0.111 | -0.064 | 20.340 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 412 | MET | 0 | -0.067 | -0.013 | 23.068 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 413 | PRO | 0 | -0.046 | -0.004 | 19.018 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 414 | ASP | -1 | -0.743 | -0.844 | 21.564 | 14.249 | 14.249 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 415 | SER | 0 | -0.013 | -0.034 | 19.641 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 416 | LEU | 0 | -0.038 | -0.009 | 13.238 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 417 | ARG | 1 | 0.859 | 0.912 | 16.792 | -16.187 | -16.187 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 418 | SER | 0 | -0.003 | -0.011 | 16.305 | 1.386 | 1.386 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 419 | GLY | 0 | -0.007 | -0.004 | 14.000 | -0.496 | -0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 420 | GLU | -1 | -0.818 | -0.883 | 12.194 | 23.311 | 23.311 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 421 | SER | 0 | 0.021 | 0.000 | 7.536 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 422 | LEU | 0 | 0.047 | 0.022 | 8.656 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 423 | HIS | 0 | -0.046 | -0.018 | 1.995 | -31.730 | -29.868 | 7.493 | -4.375 | -4.980 | 0.065 |
402 | A | 424 | ASN | 0 | -0.099 | -0.053 | 5.527 | 1.017 | 1.017 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 425 | CYS | 0 | -0.012 | 0.015 | 8.232 | -3.611 | -3.611 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 426 | SER | 0 | -0.013 | -0.016 | 11.113 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 427 | TYR | 0 | -0.012 | -0.039 | 13.842 | -1.040 | -1.040 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 428 | PHE | 0 | 0.048 | 0.007 | 9.922 | -1.036 | -1.036 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 429 | ALA | 0 | -0.023 | 0.002 | 8.222 | 1.651 | 1.651 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 430 | LEU | 0 | 0.007 | 0.007 | 5.546 | -3.216 | -3.216 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 431 | TRP | 0 | 0.028 | 0.013 | 5.141 | 5.619 | 5.631 | -0.001 | -0.004 | -0.007 | 0.000 |
410 | A | 432 | SER | 0 | -0.017 | 0.000 | 5.033 | -2.728 | -2.728 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 433 | LEU | 0 | 0.046 | -0.006 | 6.826 | -1.502 | -1.502 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 434 | ASP | -1 | -0.737 | -0.847 | 8.359 | 28.843 | 28.843 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 435 | SER | 0 | -0.029 | -0.012 | 9.301 | -1.449 | -1.449 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 436 | VAL | 0 | 0.038 | 0.016 | 11.143 | -1.688 | -1.688 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 437 | VAL | 0 | 0.026 | 0.042 | 13.235 | -1.460 | -1.460 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 438 | SER | 0 | -0.082 | -0.038 | 12.402 | -1.366 | -1.366 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 439 | ARG | 1 | 0.808 | 0.897 | 15.049 | -15.040 | -15.040 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 440 | THR | 0 | 0.001 | -0.021 | 17.209 | -0.929 | -0.929 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 441 | SER | 0 | 0.003 | 0.013 | 17.721 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 442 | PRO | 0 | -0.039 | -0.026 | 20.113 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 443 | HIS | 0 | -0.015 | -0.003 | 21.841 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 444 | HIS | 0 | -0.066 | -0.035 | 20.634 | 0.805 | 0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 445 | ILE | 0 | 0.005 | -0.005 | 15.847 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 446 | LEU | 0 | -0.044 | -0.022 | 20.102 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 447 | ASP | -1 | -0.787 | -0.893 | 21.271 | 13.466 | 13.466 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 448 | ILE | 0 | -0.041 | -0.029 | 15.422 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 449 | LEU | 0 | -0.006 | 0.030 | 19.519 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 450 | VAL | 0 | 0.020 | 0.004 | 16.096 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 451 | HIS | 0 | -0.010 | -0.011 | 18.997 | -1.095 | -1.095 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 452 | GLU | -1 | -0.857 | -0.939 | 21.138 | 11.562 | 11.562 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 453 | ARG | 1 | 0.917 | 0.944 | 22.275 | -11.083 | -11.083 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 454 | SER | 0 | -0.029 | 0.001 | 19.289 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 455 | LEU | 0 | 0.014 | 0.024 | 16.630 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 456 | ASN | 0 | 0.029 | 0.010 | 17.752 | -0.967 | -0.967 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 457 | ARG | 1 | 0.835 | 0.925 | 15.029 | -17.421 | -17.421 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 466 | PRO | 0 | 0.034 | -0.013 | 17.625 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 467 | GLU | -1 | -0.810 | -0.885 | 18.068 | 15.321 | 15.321 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 468 | GLN | 0 | 0.019 | -0.001 | 13.600 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 469 | PHE | 0 | -0.003 | 0.010 | 13.917 | 1.262 | 1.262 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 470 | PHE | 0 | 0.016 | 0.017 | 15.284 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 471 | ASN | 0 | 0.054 | 0.037 | 12.531 | -1.674 | -1.674 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 472 | PRO | 0 | -0.001 | 0.006 | 11.851 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 473 | SER | 0 | 0.011 | 0.000 | 7.836 | -0.824 | -0.824 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 474 | THR | 0 | -0.036 | -0.014 | 9.477 | 0.763 | 0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 475 | PHE | 0 | -0.043 | -0.001 | 12.207 | -1.883 | -1.883 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 476 | ASN | 0 | -0.020 | -0.015 | 12.293 | 2.015 | 2.015 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 477 | PHE | 0 | -0.009 | -0.023 | 11.344 | -1.052 | -1.052 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 478 | ASP | -1 | -0.822 | -0.892 | 15.131 | 16.307 | 16.307 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 479 | ALA | 0 | -0.020 | -0.027 | 16.286 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 480 | THR | 0 | -0.009 | -0.001 | 18.194 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 481 | CYS | 0 | -0.035 | -0.003 | 16.764 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 482 | LEU | 0 | 0.002 | 0.007 | 19.468 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 483 | LEU | 0 | -0.026 | -0.022 | 19.687 | 0.639 | 0.639 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 484 | ASP | -1 | -0.754 | -0.891 | 23.429 | 11.870 | 11.870 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 485 | SER | 0 | 0.006 | -0.003 | 25.843 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 486 | GLY | 0 | 0.068 | 0.012 | 26.085 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 487 | VAL | 0 | -0.030 | 0.003 | 23.231 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 488 | ILE | 0 | -0.027 | -0.014 | 18.148 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 489 | HIS | 0 | -0.008 | 0.017 | 19.381 | 0.829 | 0.829 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 490 | VAL | 0 | 0.009 | -0.008 | 13.810 | 0.561 | 0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 491 | THR | 0 | -0.017 | -0.023 | 14.360 | -0.828 | -0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 492 | CYS | 0 | -0.059 | -0.011 | 10.681 | 1.634 | 1.634 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 493 | ALA | 0 | 0.048 | 0.025 | 9.194 | -0.931 | -0.931 | 0.000 | 0.000 | 0.000 | 0.000 |