FMODB ID: RYYN8
Calculation Name: 3GLK-A-Xray372
Preferred Name: Acetyl-CoA carboxylase 2
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 3GLK
Chain ID: A
ChEMBL ID: CHEMBL4829
UniProt ID: O00763
Base Structure: X-ray
Registration Date: 2023-09-27
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 | 487 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9524795.420068 |
---|---|
FMO2-HF: Nuclear repulsion | 9334638.028392 |
FMO2-HF: Total energy | -190157.391676 |
FMO2-MP2: Total energy | -190711.511711 |
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:241:ASP)
Summations of interaction energy for
fragment #1(A:241: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. |
41.667 | 37.943 | 16.325 | -6.77 | -5.83 | 0.068 |
Interaction energy analysis for fragmet #1(A:241: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 | 243 | THR | 0 | 0.003 | 0.007 | 3.861 | -0.731 | 0.880 | -0.016 | -0.746 | -0.849 | 0.002 |
4 | A | 244 | VAL | 0 | -0.055 | -0.029 | 6.609 | -2.262 | -2.262 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 245 | ALA | 0 | 0.009 | -0.001 | 10.426 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 246 | SER | 0 | -0.009 | -0.004 | 13.463 | -0.816 | -0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 247 | PRO | 0 | 0.082 | 0.032 | 14.765 | 1.027 | 1.027 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 248 | ALA | 0 | 0.042 | 0.024 | 16.342 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 249 | GLU | -1 | -0.829 | -0.897 | 13.803 | 21.121 | 21.121 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 250 | PHE | 0 | 0.028 | 0.002 | 11.070 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 251 | VAL | 0 | 0.015 | 0.007 | 13.760 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 252 | THR | 0 | -0.039 | -0.020 | 17.054 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 253 | ARG | 1 | 0.815 | 0.893 | 10.834 | -24.656 | -24.656 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 254 | PHE | 0 | -0.041 | -0.031 | 7.955 | 1.751 | 1.751 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 255 | GLY | 0 | -0.010 | 0.005 | 13.898 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 256 | GLY | 0 | -0.004 | 0.000 | 17.613 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 257 | ASP | -1 | -0.892 | -0.957 | 19.814 | 13.047 | 13.047 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 258 | ARG | 1 | 0.815 | 0.904 | 22.048 | -12.374 | -12.374 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 259 | VAL | 0 | 0.002 | 0.002 | 20.209 | 0.643 | 0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 260 | ILE | 0 | -0.049 | -0.027 | 20.188 | -0.841 | -0.841 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 261 | GLU | -1 | -0.906 | -0.967 | 19.556 | 15.124 | 15.124 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 262 | LYS | 1 | 0.811 | 0.913 | 21.023 | -10.937 | -10.937 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 263 | VAL | 0 | 0.014 | 0.014 | 22.018 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 264 | LEU | 0 | -0.020 | -0.002 | 25.130 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 265 | ILE | 0 | -0.035 | -0.016 | 24.785 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 266 | ALA | 0 | 0.012 | -0.008 | 28.859 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 267 | ASN | 0 | -0.055 | -0.047 | 30.151 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 268 | ASN | 0 | -0.005 | -0.018 | 31.670 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 269 | GLY | 0 | 0.073 | 0.034 | 31.211 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 270 | ILE | 0 | 0.010 | 0.001 | 27.190 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 271 | ALA | 0 | 0.012 | 0.028 | 27.160 | 0.519 | 0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 272 | ALA | 0 | 0.006 | 0.000 | 26.190 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 273 | VAL | 0 | 0.002 | -0.007 | 24.881 | 0.499 | 0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 274 | LYS | 1 | 0.766 | 0.862 | 20.022 | -14.471 | -14.471 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 275 | CYS | 0 | 0.007 | 0.027 | 21.421 | 1.027 | 1.027 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 276 | MET | 0 | -0.005 | 0.007 | 20.505 | 0.741 | 0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 277 | ARG | 1 | 0.813 | 0.869 | 19.453 | -12.051 | -12.051 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 278 | SER | 0 | -0.052 | -0.028 | 17.095 | 0.916 | 0.916 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 279 | ILE | 0 | 0.052 | 0.036 | 15.548 | 1.431 | 1.431 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 280 | ARG | 1 | 0.821 | 0.886 | 15.322 | -12.917 | -12.917 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 281 | ARG | 1 | 0.930 | 0.984 | 12.275 | -18.931 | -18.931 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 282 | TRP | 0 | 0.076 | 0.034 | 10.591 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 283 | ALA | 0 | -0.006 | -0.001 | 10.701 | 1.945 | 1.945 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 284 | TYR | 0 | -0.001 | -0.002 | 10.501 | 1.656 | 1.656 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 285 | GLU | -1 | -0.891 | -0.949 | 7.046 | 32.850 | 32.850 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 286 | MET | 0 | -0.012 | 0.014 | 6.446 | 2.784 | 2.784 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 287 | PHE | 0 | 0.016 | 0.005 | 8.377 | 0.521 | 0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 288 | ARG | 1 | 0.813 | 0.912 | 6.510 | -31.584 | -31.584 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 289 | ASN | 0 | 0.019 | 0.005 | 10.290 | -2.379 | -2.379 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 290 | GLU | -1 | -0.803 | -0.891 | 13.884 | 15.600 | 15.600 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 291 | ARG | 1 | 0.742 | 0.846 | 15.608 | -14.435 | -14.435 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 292 | ALA | 0 | -0.031 | -0.010 | 14.933 | -0.776 | -0.776 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 293 | ILE | 0 | 0.003 | 0.014 | 16.229 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 294 | ARG | 1 | 0.814 | 0.914 | 18.843 | -13.523 | -13.523 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 295 | PHE | 0 | 0.055 | 0.007 | 19.865 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 296 | VAL | 0 | 0.003 | 0.003 | 24.803 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 297 | VAL | 0 | 0.010 | 0.004 | 28.257 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 298 | MET | 0 | 0.023 | 0.024 | 30.623 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 299 | VAL | 0 | 0.019 | 0.005 | 33.998 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 300 | THR | 0 | 0.045 | 0.039 | 36.439 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 301 | PRO | 0 | 0.016 | -0.009 | 39.783 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 302 | GLU | -1 | -0.826 | -0.913 | 41.769 | 7.256 | 7.256 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 303 | ASP | -1 | -0.717 | -0.811 | 36.248 | 8.644 | 8.644 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 304 | LEU | 0 | -0.015 | -0.018 | 37.799 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 305 | LYS | 1 | 0.900 | 0.962 | 39.090 | -6.769 | -6.769 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 306 | ALA | 0 | -0.033 | -0.015 | 38.628 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 307 | ASN | 0 | -0.056 | -0.034 | 35.372 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 308 | ALA | 0 | 0.034 | 0.023 | 34.051 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 309 | GLU | -1 | -0.739 | -0.850 | 29.703 | 9.543 | 9.543 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 310 | TYR | 0 | -0.025 | -0.062 | 28.309 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 311 | ILE | 0 | -0.034 | -0.009 | 29.022 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 312 | LYS | 1 | 0.881 | 0.945 | 30.262 | -8.857 | -8.857 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 313 | MET | 0 | -0.020 | 0.026 | 24.263 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 314 | ALA | 0 | 0.040 | 0.028 | 24.991 | 0.643 | 0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 315 | ASP | -1 | -0.815 | -0.882 | 23.243 | 13.248 | 13.248 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 316 | HIS | 0 | 0.002 | 0.004 | 26.387 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 317 | TYR | 0 | 0.007 | -0.005 | 29.907 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 318 | VAL | 0 | -0.024 | -0.007 | 32.655 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 319 | PRO | 0 | -0.016 | 0.000 | 35.666 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 320 | VAL | 0 | -0.022 | -0.011 | 37.899 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 321 | PRO | 0 | 0.024 | 0.002 | 40.544 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 322 | GLY | 0 | 0.052 | 0.034 | 42.730 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 323 | GLY | 0 | -0.026 | -0.016 | 44.383 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 324 | PRO | 0 | -0.009 | -0.013 | 43.622 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 325 | ASN | 0 | 0.072 | 0.021 | 38.949 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 326 | ASN | 0 | 0.029 | 0.025 | 41.076 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 327 | ASN | 0 | -0.058 | -0.025 | 43.582 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 328 | ASN | 0 | -0.027 | -0.029 | 39.098 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 329 | TYR | 0 | -0.025 | -0.031 | 34.859 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 330 | ALA | 0 | 0.021 | -0.004 | 36.265 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 331 | ASN | 0 | -0.062 | -0.020 | 38.847 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 332 | VAL | 0 | 0.053 | 0.025 | 37.150 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 333 | GLU | -1 | -0.814 | -0.900 | 38.165 | 7.727 | 7.727 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 334 | LEU | 0 | -0.001 | 0.005 | 39.028 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 335 | ILE | 0 | -0.015 | -0.014 | 33.631 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 336 | VAL | 0 | 0.016 | 0.008 | 34.989 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 337 | ASP | -1 | -0.821 | -0.906 | 36.204 | 7.900 | 7.900 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 338 | ILE | 0 | -0.116 | -0.062 | 33.785 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 339 | ALA | 0 | 0.002 | -0.007 | 31.919 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 340 | LYS | 1 | 0.869 | 0.925 | 32.686 | -7.828 | -7.828 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 341 | ARG | 1 | 0.917 | 0.966 | 35.338 | -8.254 | -8.254 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 342 | ILE | 0 | -0.054 | -0.001 | 30.418 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 343 | PRO | 0 | -0.004 | 0.013 | 30.792 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 344 | VAL | 0 | -0.022 | -0.025 | 27.486 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 345 | GLN | 0 | 0.118 | 0.063 | 24.387 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 346 | ALA | 0 | 0.010 | 0.007 | 24.467 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 347 | VAL | 0 | -0.002 | 0.001 | 26.548 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 348 | TRP | 0 | 0.021 | 0.022 | 23.885 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 349 | ALA | 0 | 0.048 | 0.009 | 27.113 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 350 | GLY | 0 | -0.001 | 0.007 | 27.498 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 351 | TRP | 0 | 0.067 | 0.016 | 25.991 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 352 | GLY | 0 | 0.009 | 0.024 | 31.580 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 353 | HIS | 0 | 0.015 | 0.010 | 34.145 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 354 | ALA | 0 | 0.026 | 0.022 | 34.992 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 355 | SER | 0 | -0.080 | -0.057 | 31.522 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 356 | GLU | -1 | -0.786 | -0.866 | 32.994 | 9.060 | 9.060 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 357 | ASN | 0 | -0.010 | -0.002 | 35.691 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 358 | PRO | 0 | 0.089 | 0.028 | 36.436 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 359 | LYS | 1 | 0.920 | 0.944 | 37.058 | -7.302 | -7.302 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 360 | LEU | 0 | -0.034 | -0.012 | 32.395 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 361 | PRO | 0 | 0.012 | 0.006 | 31.671 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 362 | GLU | -1 | -0.829 | -0.890 | 33.300 | 7.935 | 7.935 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 363 | LEU | 0 | -0.012 | -0.025 | 36.598 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 364 | LEU | 0 | -0.022 | -0.002 | 30.941 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 365 | CYS | 0 | 0.033 | 0.031 | 32.605 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 366 | LYS | 1 | 0.841 | 0.917 | 33.526 | -7.761 | -7.761 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 367 | ASN | 0 | -0.083 | -0.062 | 35.649 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 368 | GLY | 0 | 0.027 | 0.025 | 32.893 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 369 | VAL | 0 | -0.071 | -0.018 | 29.368 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 370 | ALA | 0 | 0.054 | 0.022 | 26.117 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 371 | PHE | 0 | 0.028 | -0.007 | 27.911 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 372 | LEU | 0 | -0.025 | -0.008 | 21.830 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 373 | GLY | 0 | -0.021 | -0.012 | 25.145 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 374 | PRO | 0 | 0.040 | 0.044 | 27.395 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 375 | PRO | 0 | 0.025 | 0.005 | 29.321 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 376 | SER | 0 | -0.017 | -0.020 | 31.799 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 377 | GLU | -1 | -0.807 | -0.922 | 33.794 | 9.389 | 9.389 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 378 | ALA | 0 | 0.023 | 0.036 | 32.691 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 379 | MET | 0 | -0.051 | -0.029 | 33.487 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 380 | TRP | 0 | -0.083 | -0.050 | 35.806 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 381 | ALA | 0 | 0.052 | 0.040 | 37.460 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 382 | LEU | 0 | -0.072 | -0.028 | 32.744 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 383 | GLY | 0 | -0.025 | -0.007 | 37.096 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 384 | ASP | -1 | -0.742 | -0.842 | 40.567 | 7.065 | 7.065 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 385 | LYS | 1 | 0.842 | 0.909 | 41.948 | -7.626 | -7.626 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 386 | ILE | 0 | 0.003 | 0.036 | 44.006 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 387 | ALA | 0 | 0.034 | 0.003 | 43.595 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 388 | SER | 0 | 0.001 | -0.018 | 39.469 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 389 | THR | 0 | -0.005 | -0.023 | 40.751 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 390 | VAL | 0 | -0.006 | 0.007 | 42.998 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 391 | VAL | 0 | 0.017 | 0.020 | 38.298 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 392 | ALA | 0 | 0.013 | 0.001 | 38.938 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 393 | GLN | 0 | 0.005 | 0.001 | 39.962 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 394 | THR | 0 | -0.014 | -0.015 | 41.804 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 395 | LEU | 0 | -0.053 | -0.001 | 35.783 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 396 | GLN | 0 | -0.039 | -0.028 | 38.236 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 397 | VAL | 0 | -0.014 | 0.001 | 36.438 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 398 | PRO | 0 | -0.012 | 0.009 | 38.808 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 399 | THR | 0 | -0.017 | -0.020 | 41.070 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 400 | LEU | 0 | 0.020 | 0.014 | 43.735 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 401 | PRO | 0 | 0.005 | -0.003 | 46.441 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 402 | TRP | 0 | -0.006 | -0.025 | 47.140 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 403 | SER | 0 | -0.009 | -0.028 | 50.846 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 404 | GLY | 0 | 0.089 | 0.042 | 50.362 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 405 | SER | 0 | -0.020 | 0.004 | 49.019 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 406 | GLY | 0 | -0.030 | -0.007 | 48.568 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 407 | LEU | 0 | -0.063 | -0.008 | 49.213 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 408 | THR | 0 | -0.037 | -0.017 | 45.547 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 409 | VAL | 0 | -0.006 | -0.008 | 44.539 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 410 | GLU | -1 | -0.911 | -0.964 | 45.439 | 6.842 | 6.842 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 411 | TRP | 0 | 0.002 | -0.006 | 36.527 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 412 | THR | 0 | -0.063 | -0.039 | 40.865 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 413 | GLU | -1 | -0.813 | -0.879 | 40.657 | 7.458 | 7.458 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 414 | ASP | -1 | -0.897 | -0.947 | 36.556 | 8.513 | 8.513 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 415 | ASP | -1 | -0.951 | -0.970 | 31.957 | 9.960 | 9.960 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 416 | LEU | 0 | -0.013 | 0.000 | 33.727 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 417 | GLN | 0 | -0.020 | -0.018 | 34.335 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 418 | GLN | 0 | 0.060 | 0.024 | 31.330 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 419 | GLY | 0 | -0.056 | -0.023 | 34.687 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 420 | LYS | 1 | 0.734 | 0.839 | 37.745 | -7.755 | -7.755 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 421 | ARG | 1 | 0.826 | 0.913 | 31.848 | -9.698 | -9.698 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 422 | ILE | 0 | -0.006 | 0.014 | 37.440 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 423 | SER | 0 | -0.026 | -0.024 | 39.922 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 424 | VAL | 0 | -0.010 | 0.002 | 42.829 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 425 | PRO | 0 | 0.040 | 0.027 | 45.811 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 426 | GLU | -1 | -0.892 | -0.949 | 49.285 | 6.241 | 6.241 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 427 | ASP | -1 | -0.914 | -0.962 | 51.706 | 5.903 | 5.903 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 428 | VAL | 0 | -0.080 | -0.041 | 48.800 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 429 | TYR | 0 | -0.024 | -0.050 | 47.280 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 430 | ASP | -1 | -0.786 | -0.887 | 50.393 | 5.782 | 5.782 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 431 | LYS | 1 | 0.921 | 0.961 | 53.821 | -5.856 | -5.856 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 432 | GLY | 0 | 0.047 | 0.027 | 51.113 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 433 | CYS | 0 | -0.118 | -0.024 | 52.177 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 434 | VAL | 0 | -0.032 | -0.018 | 54.290 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 435 | LYS | 1 | 0.793 | 0.877 | 57.172 | -5.630 | -5.630 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 436 | ASP | -1 | -0.896 | -0.957 | 60.441 | 5.032 | 5.032 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 437 | VAL | 0 | -0.036 | -0.031 | 62.425 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 438 | ASP | -1 | -0.894 | -0.944 | 63.991 | 4.849 | 4.849 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 439 | GLU | -1 | -0.811 | -0.910 | 60.500 | 5.399 | 5.399 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 440 | GLY | 0 | 0.019 | 0.011 | 59.706 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 441 | LEU | 0 | -0.017 | -0.019 | 60.166 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 442 | GLU | -1 | -0.802 | -0.860 | 62.234 | 5.123 | 5.123 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 443 | ALA | 0 | -0.008 | 0.000 | 56.957 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 444 | ALA | 0 | -0.028 | -0.020 | 57.730 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 445 | GLU | -1 | -0.897 | -0.963 | 58.637 | 5.221 | 5.221 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 446 | ARG | 1 | 0.706 | 0.818 | 57.684 | -5.296 | -5.296 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 447 | ILE | 0 | -0.073 | -0.012 | 53.217 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 448 | GLY | 0 | 0.039 | 0.024 | 55.099 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 449 | PHE | 0 | -0.007 | 0.005 | 56.097 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 450 | PRO | 0 | -0.021 | -0.016 | 54.323 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 451 | LEU | 0 | -0.042 | -0.018 | 53.232 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 452 | MET | 0 | -0.035 | -0.002 | 49.823 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 453 | ILE | 0 | 0.039 | 0.025 | 52.873 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 454 | LYS | 1 | 0.825 | 0.902 | 47.109 | -6.778 | -6.778 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 455 | ALA | 0 | 0.091 | 0.060 | 51.900 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 456 | SER | 0 | -0.016 | -0.017 | 47.504 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 457 | GLU | -1 | -0.808 | -0.892 | 47.139 | 6.469 | 6.469 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 458 | GLY | 0 | -0.037 | -0.006 | 48.361 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 459 | GLY | 0 | 0.021 | 0.014 | 44.428 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 460 | GLY | 0 | 0.037 | 0.022 | 42.839 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 461 | GLY | 0 | -0.034 | -0.019 | 43.733 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 462 | LYS | 1 | 0.856 | 0.898 | 45.488 | -6.976 | -6.976 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 463 | GLY | 0 | 0.133 | 0.101 | 50.319 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 464 | ILE | 0 | -0.072 | -0.042 | 48.675 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 465 | ARG | 1 | 0.779 | 0.866 | 52.516 | -5.854 | -5.854 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 466 | LYS | 1 | 0.864 | 0.910 | 53.783 | -5.842 | -5.842 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 467 | ALA | 0 | -0.002 | -0.008 | 55.197 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 468 | GLU | -1 | -0.784 | -0.887 | 57.442 | 5.822 | 5.822 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 469 | SER | 0 | -0.012 | -0.033 | 59.668 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 470 | ALA | 0 | 0.060 | 0.013 | 62.402 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 471 | GLU | -1 | -0.943 | -0.968 | 64.151 | 4.695 | 4.695 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 472 | ASP | -1 | -0.879 | -0.917 | 62.126 | 5.158 | 5.158 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 473 | PHE | 0 | 0.007 | 0.009 | 58.214 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 474 | PRO | 0 | 0.027 | 0.015 | 62.312 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 475 | ILE | 0 | -0.064 | -0.021 | 64.324 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 476 | LEU | 0 | -0.012 | -0.014 | 59.155 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 477 | PHE | 0 | 0.019 | 0.011 | 58.053 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 478 | ARG | 1 | 0.977 | 0.983 | 60.271 | -4.823 | -4.823 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 479 | GLN | 0 | -0.023 | 0.011 | 59.792 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 480 | VAL | 0 | -0.017 | -0.002 | 54.892 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 481 | GLN | 0 | 0.018 | -0.002 | 57.358 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 482 | SER | 0 | -0.055 | -0.039 | 59.753 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 483 | GLU | -1 | -0.913 | -0.941 | 53.912 | 5.947 | 5.947 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 484 | ILE | 0 | -0.039 | -0.024 | 51.741 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 485 | PRO | 0 | 0.003 | 0.010 | 55.985 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 486 | GLY | 0 | -0.019 | -0.017 | 57.738 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 487 | SER | 0 | -0.065 | -0.035 | 52.125 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 488 | PRO | 0 | 0.033 | 0.011 | 51.353 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 489 | ILE | 0 | -0.024 | 0.000 | 52.445 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 490 | PHE | 0 | 0.030 | 0.009 | 47.301 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 491 | LEU | 0 | -0.025 | -0.012 | 52.895 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 492 | MET | 0 | 0.009 | 0.000 | 45.437 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 493 | LYS | 1 | 0.828 | 0.931 | 49.774 | -6.142 | -6.142 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 494 | LEU | 0 | -0.041 | -0.019 | 49.067 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 495 | ALA | 0 | 0.028 | 0.019 | 45.987 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 496 | GLN | 0 | -0.010 | -0.022 | 47.929 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 497 | HIS | 0 | 0.016 | 0.009 | 47.027 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 498 | ALA | 0 | 0.027 | 0.027 | 43.545 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 499 | ARG | 1 | 0.731 | 0.831 | 37.184 | -8.511 | -8.511 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 500 | HIS | 0 | -0.016 | -0.013 | 37.637 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 501 | LEU | 0 | -0.007 | 0.000 | 33.984 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 502 | GLU | -1 | -0.776 | -0.871 | 30.463 | 10.333 | 10.333 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 503 | VAL | 0 | 0.040 | 0.017 | 27.726 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 504 | GLN | 0 | -0.031 | -0.018 | 24.565 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 505 | ILE | 0 | -0.025 | -0.008 | 24.707 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 506 | LEU | 0 | -0.009 | -0.012 | 18.337 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 507 | ALA | 0 | 0.045 | 0.024 | 22.807 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 508 | ASP | -1 | -0.725 | -0.866 | 20.795 | 15.148 | 15.148 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 509 | GLN | 0 | -0.033 | -0.027 | 22.872 | -0.680 | -0.680 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 510 | TYR | 0 | -0.087 | -0.048 | 21.019 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 511 | GLY | 0 | 0.043 | 0.043 | 25.594 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 512 | ASN | 0 | -0.086 | -0.050 | 21.530 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 513 | ALA | 0 | -0.013 | -0.030 | 23.654 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 514 | VAL | 0 | -0.037 | -0.006 | 19.354 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 515 | SER | 0 | 0.017 | -0.024 | 22.767 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 516 | LEU | 0 | -0.069 | -0.044 | 18.880 | 0.876 | 0.876 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 517 | PHE | 0 | 0.036 | 0.025 | 20.266 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 518 | GLY | 0 | 0.009 | -0.009 | 24.797 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 519 | ARG | 1 | 0.752 | 0.857 | 26.272 | -11.250 | -11.250 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 520 | ASP | -1 | -0.754 | -0.866 | 29.954 | 8.911 | 8.911 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 521 | CYS | 0 | -0.100 | -0.027 | 33.428 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 522 | SER | 0 | 0.036 | -0.012 | 35.746 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 523 | ILE | 0 | -0.026 | -0.001 | 37.768 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 524 | GLN | 0 | 0.111 | 0.058 | 39.296 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 525 | ARG | 1 | 0.880 | 0.912 | 41.397 | -7.337 | -7.337 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 526 | ARG | 1 | 0.937 | 0.959 | 40.496 | -7.536 | -7.536 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 527 | HIS | 0 | -0.006 | -0.001 | 44.137 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 528 | GLN | 0 | 0.023 | 0.023 | 39.436 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 529 | LYS | 1 | 0.895 | 0.921 | 32.136 | -10.044 | -10.044 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 530 | ILE | 0 | -0.103 | -0.045 | 37.043 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 531 | VAL | 0 | 0.006 | 0.000 | 34.798 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 532 | GLU | -1 | -0.781 | -0.861 | 31.066 | 10.021 | 10.021 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 533 | GLU | -1 | -0.736 | -0.806 | 30.268 | 9.780 | 9.780 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 534 | ALA | 0 | 0.024 | 0.022 | 25.873 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 535 | PRO | 0 | 0.101 | 0.050 | 25.380 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 536 | ALA | 0 | 0.010 | 0.003 | 27.350 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 537 | THR | 0 | -0.030 | -0.039 | 30.261 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 538 | ILE | 0 | -0.012 | 0.022 | 32.326 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 539 | ALA | 0 | 0.011 | 0.012 | 33.633 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 540 | PRO | 0 | -0.007 | -0.011 | 33.552 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 541 | LEU | 0 | 0.038 | 0.027 | 27.664 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 542 | ALA | 0 | 0.046 | 0.029 | 31.605 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 543 | ILE | 0 | -0.032 | -0.017 | 33.325 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 544 | PHE | 0 | -0.010 | -0.002 | 27.969 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 545 | GLU | -1 | -0.800 | -0.902 | 27.940 | 11.478 | 11.478 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 546 | PHE | 0 | -0.005 | 0.001 | 30.091 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 547 | MET | 0 | 0.003 | 0.018 | 32.677 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 548 | GLU | -1 | -0.785 | -0.879 | 25.699 | 12.638 | 12.638 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 549 | GLN | 0 | -0.007 | 0.006 | 29.192 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 550 | CYS | 0 | -0.057 | -0.025 | 30.464 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 551 | ALA | 0 | 0.010 | 0.007 | 29.600 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 552 | ILE | 0 | -0.002 | -0.008 | 25.403 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 553 | ARG | 1 | 0.863 | 0.923 | 28.722 | -9.230 | -9.230 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 554 | LEU | 0 | 0.014 | 0.019 | 31.972 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 555 | ALA | 0 | -0.006 | -0.011 | 28.499 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 556 | LYS | 1 | 0.838 | 0.912 | 25.897 | -12.097 | -12.097 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 557 | THR | 0 | -0.002 | 0.007 | 30.300 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 558 | VAL | 0 | -0.001 | -0.005 | 32.653 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 559 | GLY | 0 | 0.042 | 0.029 | 30.614 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 560 | TYR | 0 | -0.042 | -0.050 | 26.886 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 561 | VAL | 0 | -0.020 | -0.009 | 24.711 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 562 | SER | 0 | -0.020 | -0.020 | 22.935 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 563 | ALA | 0 | 0.003 | -0.011 | 22.495 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 564 | GLY | 0 | 0.011 | 0.021 | 24.314 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 565 | THR | 0 | -0.044 | -0.017 | 27.205 | 0.576 | 0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 566 | VAL | 0 | -0.007 | 0.008 | 29.898 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 567 | GLU | -1 | -0.828 | -0.907 | 32.576 | 9.603 | 9.603 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 568 | TYR | 0 | -0.004 | -0.030 | 32.559 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 569 | LEU | 0 | -0.032 | -0.014 | 37.254 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 570 | TYR | 0 | 0.016 | -0.006 | 38.124 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 571 | SER | 0 | 0.013 | 0.002 | 40.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 572 | GLN | 0 | -0.012 | 0.002 | 42.553 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 573 | ASP | -1 | -0.885 | -0.919 | 44.402 | 7.194 | 7.194 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 574 | GLY | 0 | 0.007 | 0.008 | 41.326 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 575 | SER | 0 | -0.087 | -0.061 | 40.789 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 576 | PHE | 0 | 0.012 | -0.020 | 37.124 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 577 | HIS | 0 | -0.021 | -0.019 | 40.072 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 578 | PHE | 0 | 0.019 | 0.010 | 36.109 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 579 | LEU | 0 | -0.079 | -0.029 | 38.504 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 580 | GLU | -1 | -0.831 | -0.919 | 37.450 | 7.895 | 7.895 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 581 | LEU | 0 | 0.001 | 0.006 | 30.559 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 582 | ASN | 0 | -0.025 | -0.026 | 32.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 583 | PRO | 0 | 0.005 | 0.012 | 31.265 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 584 | ARG | 1 | 0.790 | 0.859 | 28.621 | -9.554 | -9.554 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 585 | LEU | 0 | 0.018 | 0.025 | 23.273 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 586 | GLN | 0 | 0.048 | 0.032 | 27.062 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 587 | VAL | 0 | -0.009 | 0.000 | 27.224 | 0.472 | 0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 588 | GLU | -1 | -0.779 | -0.893 | 27.513 | 10.378 | 10.378 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 589 | HIS | 0 | 0.030 | 0.013 | 21.673 | 0.778 | 0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 590 | PRO | 0 | 0.007 | 0.003 | 21.911 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 591 | CYS | 0 | -0.037 | -0.011 | 22.087 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 592 | THR | 0 | 0.055 | 0.019 | 21.888 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 593 | GLU | -1 | -0.838 | -0.904 | 18.120 | 16.651 | 16.651 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 594 | MET | 0 | -0.026 | -0.015 | 17.901 | 1.275 | 1.275 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 595 | ILE | 0 | -0.016 | 0.010 | 19.022 | 0.689 | 0.689 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 596 | ALA | 0 | 0.028 | 0.015 | 18.145 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 597 | ASP | -1 | -0.861 | -0.913 | 12.500 | 25.210 | 25.210 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 598 | VAL | 0 | -0.021 | 0.001 | 13.364 | 1.602 | 1.602 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 599 | ASN | 0 | -0.060 | -0.046 | 12.749 | -2.783 | -2.783 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 600 | LEU | 0 | 0.062 | 0.024 | 15.262 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 601 | PRO | 0 | -0.043 | -0.025 | 18.584 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 602 | ALA | 0 | 0.033 | 0.013 | 14.338 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 603 | ALA | 0 | 0.009 | 0.024 | 16.112 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 604 | GLN | 0 | 0.001 | 0.001 | 16.890 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 605 | LEU | 0 | -0.017 | -0.013 | 17.120 | -0.475 | -0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 606 | GLN | 0 | -0.014 | -0.031 | 12.293 | 1.275 | 1.275 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 607 | ILE | 0 | 0.018 | 0.023 | 16.898 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 608 | ALA | 0 | 0.002 | 0.008 | 19.790 | -0.529 | -0.529 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 609 | MET | 0 | -0.091 | -0.047 | 16.821 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 610 | GLY | 0 | 0.088 | 0.049 | 20.401 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 611 | VAL | 0 | -0.078 | -0.021 | 14.426 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 612 | PRO | 0 | 0.019 | 0.016 | 17.092 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 613 | LEU | 0 | 0.023 | -0.004 | 16.300 | 1.491 | 1.491 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 614 | HIS | 0 | -0.022 | 0.003 | 15.299 | 0.848 | 0.848 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 615 | ARG | 1 | 0.789 | 0.912 | 10.530 | -24.551 | -24.551 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 616 | LEU | 0 | -0.018 | 0.001 | 11.344 | 2.207 | 2.207 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 617 | LYS | 1 | 0.863 | 0.928 | 5.608 | -36.328 | -36.328 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 618 | ASP | -1 | -0.803 | -0.908 | 9.068 | 27.995 | 27.995 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 619 | ILE | 0 | 0.026 | 0.018 | 11.421 | -0.943 | -0.943 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 620 | ARG | 1 | 0.725 | 0.836 | 9.656 | -28.149 | -28.149 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 621 | LEU | 0 | -0.037 | -0.012 | 6.996 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 622 | LEU | 0 | -0.020 | 0.007 | 11.079 | -1.305 | -1.305 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 623 | TYR | 0 | 0.027 | -0.004 | 14.450 | -1.654 | -1.654 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 624 | GLY | 0 | -0.016 | 0.008 | 13.718 | -0.804 | -0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 625 | GLU | -1 | -0.797 | -0.882 | 12.002 | 26.084 | 26.084 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 626 | SER | 0 | -0.055 | -0.047 | 7.690 | 3.199 | 3.199 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 627 | PRO | 0 | 0.043 | 0.010 | 4.089 | -3.444 | -3.091 | 0.003 | -0.080 | -0.275 | 0.000 |
388 | A | 628 | TRP | 0 | 0.002 | -0.042 | 1.686 | -30.103 | -35.791 | 16.338 | -5.944 | -4.706 | 0.066 |
389 | A | 629 | GLY | 0 | 0.006 | 0.026 | 7.159 | -3.379 | -3.379 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 630 | VAL | 0 | 0.016 | -0.015 | 10.400 | -0.718 | -0.718 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 631 | THR | 0 | -0.005 | 0.007 | 13.835 | -0.990 | -0.990 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 632 | PRO | 0 | 0.035 | 0.018 | 15.752 | 0.908 | 0.908 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 633 | ILE | 0 | 0.031 | 0.019 | 13.875 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 634 | SER | 0 | 0.002 | 0.005 | 18.517 | -0.418 | -0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 635 | PHE | 0 | -0.009 | -0.021 | 17.273 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 636 | GLU | -1 | -0.848 | -0.901 | 22.065 | 11.519 | 11.519 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 637 | THR | 0 | -0.055 | -0.053 | 23.822 | -0.615 | -0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 638 | PRO | 0 | -0.010 | -0.017 | 20.676 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 639 | SER | 0 | -0.069 | -0.027 | 23.676 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 640 | ASN | 0 | -0.005 | -0.008 | 24.182 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 641 | PRO | 0 | 0.002 | 0.016 | 19.103 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 642 | PRO | 0 | -0.005 | 0.012 | 18.859 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 643 | LEU | 0 | -0.008 | -0.012 | 19.341 | -0.956 | -0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 644 | ALA | 0 | -0.011 | 0.006 | 19.671 | 0.745 | 0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 645 | ARG | 1 | 0.798 | 0.880 | 14.202 | -20.191 | -20.191 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 646 | GLY | 0 | 0.019 | 0.027 | 20.107 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 647 | HIS | 0 | -0.050 | -0.036 | 23.593 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 648 | VAL | 0 | -0.039 | -0.031 | 23.842 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 649 | ILE | 0 | -0.022 | 0.006 | 26.923 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 650 | ALA | 0 | 0.023 | -0.008 | 29.286 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 651 | ALA | 0 | 0.018 | 0.000 | 30.837 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 652 | ARG | 1 | 0.852 | 0.934 | 34.016 | -8.518 | -8.518 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 653 | ILE | 0 | -0.017 | 0.006 | 34.384 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 654 | THR | 0 | -0.078 | -0.070 | 37.353 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 667 | GLY | 0 | 0.004 | -0.011 | 35.496 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 668 | THR | 0 | -0.106 | -0.073 | 33.810 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 669 | VAL | 0 | -0.017 | -0.036 | 29.324 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 670 | GLN | 0 | -0.025 | -0.003 | 30.622 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 671 | GLU | -1 | -0.797 | -0.874 | 25.396 | 11.460 | 11.460 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 672 | LEU | 0 | -0.029 | -0.010 | 28.708 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 673 | ASN | 0 | -0.022 | -0.012 | 28.247 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 674 | PHE | 0 | 0.027 | 0.019 | 28.275 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 675 | ARG | 1 | 0.943 | 0.969 | 28.543 | -8.985 | -8.985 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 676 | SER | 0 | -0.111 | -0.061 | 30.219 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 677 | SER | 0 | 0.026 | -0.017 | 30.201 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 678 | LYS | 1 | 0.829 | 0.915 | 25.447 | -10.688 | -10.688 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 679 | ASN | 0 | 0.013 | 0.021 | 23.846 | 0.666 | 0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 680 | VAL | 0 | -0.003 | -0.006 | 25.082 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 681 | TRP | 0 | -0.008 | 0.002 | 23.427 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 682 | GLY | 0 | 0.049 | 0.010 | 26.230 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 683 | TYR | 0 | -0.093 | -0.050 | 27.963 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 684 | PHE | 0 | 0.036 | 0.014 | 30.199 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 685 | SER | 0 | 0.016 | 0.006 | 33.051 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 686 | VAL | 0 | -0.027 | -0.004 | 35.036 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 699 | GLN | 0 | 0.063 | 0.030 | 38.609 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 700 | PHE | 0 | -0.059 | -0.019 | 34.696 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 701 | GLY | 0 | 0.046 | 0.012 | 33.660 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 702 | HIS | 0 | -0.045 | -0.003 | 30.328 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 703 | CYS | 0 | 0.001 | 0.016 | 30.399 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 704 | PHE | 0 | -0.026 | -0.030 | 26.249 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 705 | SER | 0 | -0.006 | -0.017 | 27.261 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 706 | TRP | 0 | -0.030 | -0.020 | 21.600 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 707 | GLY | 0 | 0.041 | 0.005 | 25.554 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 708 | GLU | -1 | -0.897 | -0.955 | 22.979 | 14.176 | 14.176 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 709 | ASN | 0 | -0.025 | -0.018 | 25.592 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 710 | ARG | 1 | 0.815 | 0.865 | 28.455 | -9.203 | -9.203 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 711 | GLU | -1 | -0.914 | -0.944 | 31.196 | 9.073 | 9.073 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 712 | GLU | -1 | -0.792 | -0.880 | 27.238 | 11.868 | 11.868 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 713 | ALA | 0 | 0.005 | 0.015 | 28.368 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 714 | ILE | 0 | 0.048 | 0.029 | 29.743 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 715 | SER | 0 | -0.004 | 0.004 | 33.015 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 716 | ASN | 0 | -0.066 | -0.061 | 28.006 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 717 | MET | 0 | -0.014 | 0.004 | 30.829 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 718 | VAL | 0 | -0.006 | -0.002 | 32.736 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 719 | VAL | 0 | -0.030 | -0.013 | 33.480 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 720 | ALA | 0 | 0.024 | 0.017 | 31.483 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 721 | LEU | 0 | -0.022 | -0.016 | 33.561 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 722 | LYS | 1 | 0.843 | 0.899 | 36.636 | -8.100 | -8.100 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 723 | GLU | -1 | -0.715 | -0.810 | 32.695 | 9.459 | 9.459 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 724 | LEU | 0 | -0.021 | -0.022 | 34.254 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 725 | SER | 0 | -0.068 | -0.027 | 37.374 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 726 | ILE | 0 | -0.004 | 0.007 | 38.566 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 727 | ARG | 1 | 0.795 | 0.896 | 33.388 | -8.920 | -8.920 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 728 | GLY | 0 | 0.008 | -0.015 | 40.698 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 729 | ASP | -1 | -0.883 | -0.925 | 39.540 | 7.739 | 7.739 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 730 | PHE | 0 | -0.010 | -0.009 | 37.395 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 731 | ARG | 1 | 0.901 | 0.952 | 40.780 | -6.747 | -6.747 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 732 | THR | 0 | 0.065 | 0.032 | 43.499 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 733 | THR | 0 | -0.025 | -0.018 | 39.778 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 734 | VAL | 0 | 0.016 | 0.012 | 38.339 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 735 | GLU | -1 | -0.894 | -0.956 | 40.773 | 6.863 | 6.863 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 736 | TYR | 0 | -0.045 | -0.019 | 42.460 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 737 | LEU | 0 | -0.002 | -0.009 | 37.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 738 | ILE | 0 | 0.005 | 0.005 | 39.796 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 739 | ASN | 0 | -0.018 | -0.009 | 41.193 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 740 | LEU | 0 | -0.042 | -0.021 | 41.438 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 741 | LEU | 0 | -0.006 | -0.001 | 36.114 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 742 | GLU | -1 | -0.771 | -0.871 | 39.746 | 7.864 | 7.864 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 743 | THR | 0 | -0.078 | -0.037 | 42.139 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 744 | GLU | -1 | -0.810 | -0.913 | 42.867 | 7.649 | 7.649 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 745 | SER | 0 | -0.088 | -0.048 | 43.111 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 746 | PHE | 0 | 0.020 | 0.013 | 35.481 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 747 | GLN | 0 | -0.044 | -0.035 | 38.774 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 748 | ASN | 0 | -0.068 | -0.050 | 38.502 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 749 | ASN | 0 | -0.021 | 0.011 | 35.515 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 750 | ASP | -1 | -0.772 | -0.852 | 39.306 | 7.399 | 7.399 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 751 | ILE | 0 | -0.075 | -0.018 | 40.633 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |