FMODB ID: 6GGLZ
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 | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 487 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9512693.571434 |
---|---|
FMO2-HF: Nuclear repulsion | 9322539.93316 |
FMO2-HF: Total energy | -190153.638274 |
FMO2-MP2: Total energy | -190708.017875 |
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. |
33.906 | 22.22 | 27.968 | -9.624 | -6.66 | 0.075 |
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 | 0.014 | 0.005 | 3.676 | -2.463 | -0.897 | -0.017 | -0.595 | -0.955 | 0.002 |
4 | A | 244 | VAL | 0 | -0.051 | -0.031 | 6.040 | -2.449 | -2.449 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 245 | ALA | 0 | 0.002 | 0.000 | 9.736 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 246 | SER | 0 | 0.011 | -0.007 | 12.661 | -0.760 | -0.760 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 247 | PRO | 0 | 0.105 | 0.036 | 14.356 | 1.071 | 1.071 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 248 | ALA | 0 | 0.027 | 0.028 | 16.121 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 249 | GLU | -1 | -0.918 | -0.974 | 13.665 | 19.362 | 19.362 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 250 | PHE | 0 | -0.004 | -0.009 | 10.656 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 251 | VAL | 0 | 0.010 | 0.013 | 13.458 | 0.515 | 0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 252 | THR | 0 | -0.014 | 0.016 | 16.570 | -0.423 | -0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 253 | ARG | 1 | 0.884 | 0.941 | 11.035 | -23.883 | -23.883 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 254 | PHE | 0 | -0.057 | -0.030 | 7.571 | 1.453 | 1.453 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 255 | GLY | 0 | -0.025 | -0.011 | 13.650 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 256 | GLY | 0 | -0.005 | 0.010 | 17.340 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 257 | ASP | -1 | -0.896 | -0.960 | 18.950 | 13.096 | 13.096 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 258 | ARG | 1 | 0.894 | 0.946 | 21.267 | -12.499 | -12.499 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 259 | VAL | 0 | 0.005 | 0.002 | 19.721 | 0.646 | 0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 260 | ILE | 0 | -0.021 | -0.014 | 19.982 | -0.822 | -0.822 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 261 | GLU | -1 | -0.922 | -0.971 | 19.470 | 14.894 | 14.894 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 262 | LYS | 1 | 0.884 | 0.949 | 20.882 | -11.321 | -11.321 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 263 | VAL | 0 | 0.026 | 0.022 | 21.890 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 264 | LEU | 0 | -0.040 | -0.016 | 24.847 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 265 | ILE | 0 | -0.012 | -0.012 | 24.619 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 266 | ALA | 0 | -0.002 | -0.011 | 28.426 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 267 | ASN | 0 | -0.057 | -0.054 | 30.166 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 268 | ASN | 0 | -0.038 | -0.022 | 31.699 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 269 | GLY | 0 | 0.039 | 0.014 | 31.039 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 270 | ILE | 0 | 0.024 | 0.006 | 26.803 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 271 | ALA | 0 | 0.015 | 0.027 | 26.992 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 272 | ALA | 0 | 0.011 | 0.006 | 26.044 | 0.539 | 0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 273 | VAL | 0 | 0.020 | 0.003 | 24.680 | 0.515 | 0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 274 | LYS | 1 | 0.757 | 0.857 | 20.010 | -14.409 | -14.409 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 275 | CYS | 0 | -0.006 | 0.004 | 21.295 | 1.003 | 1.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 276 | MET | 0 | -0.006 | 0.003 | 20.482 | 0.748 | 0.748 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 277 | ARG | 1 | 0.838 | 0.898 | 19.354 | -12.172 | -12.172 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 278 | SER | 0 | -0.017 | 0.002 | 16.917 | 1.033 | 1.033 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 279 | ILE | 0 | 0.054 | 0.037 | 15.502 | 1.410 | 1.410 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 280 | ARG | 1 | 0.823 | 0.903 | 15.001 | -12.863 | -12.863 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 281 | ARG | 1 | 0.956 | 0.995 | 11.986 | -18.994 | -18.994 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 282 | TRP | 0 | 0.074 | 0.037 | 10.066 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 283 | ALA | 0 | -0.008 | -0.003 | 10.273 | 2.129 | 2.129 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 284 | TYR | 0 | -0.017 | -0.023 | 10.617 | 1.526 | 1.526 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 285 | GLU | -1 | -0.970 | -0.984 | 6.619 | 31.314 | 31.314 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 286 | MET | 0 | -0.022 | 0.010 | 6.140 | 4.555 | 4.555 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 287 | PHE | 0 | 0.008 | -0.007 | 8.018 | 0.596 | 0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 288 | ARG | 1 | 0.845 | 0.938 | 6.385 | -32.223 | -32.223 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 289 | ASN | 0 | 0.017 | -0.002 | 10.170 | -2.225 | -2.225 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 290 | GLU | -1 | -0.818 | -0.903 | 13.883 | 15.999 | 15.999 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 291 | ARG | 1 | 0.794 | 0.879 | 15.443 | -14.203 | -14.203 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 292 | ALA | 0 | -0.044 | -0.013 | 15.016 | -0.804 | -0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 293 | ILE | 0 | 0.006 | 0.018 | 16.114 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 294 | ARG | 1 | 0.850 | 0.937 | 18.700 | -13.589 | -13.589 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 295 | PHE | 0 | 0.059 | 0.003 | 19.699 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 296 | VAL | 0 | -0.019 | -0.010 | 24.636 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 297 | VAL | 0 | 0.012 | 0.012 | 27.989 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 298 | MET | 0 | 0.021 | 0.014 | 30.359 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 299 | VAL | 0 | 0.033 | 0.019 | 33.803 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 300 | THR | 0 | 0.036 | 0.033 | 36.101 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 301 | PRO | 0 | -0.011 | -0.011 | 39.578 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 302 | GLU | -1 | -0.833 | -0.934 | 41.378 | 7.316 | 7.316 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 303 | ASP | -1 | -0.721 | -0.829 | 36.300 | 8.665 | 8.665 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 304 | LEU | 0 | -0.009 | -0.017 | 37.485 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 305 | LYS | 1 | 0.904 | 0.972 | 38.989 | -6.853 | -6.853 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 306 | ALA | 0 | -0.050 | -0.022 | 38.697 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 307 | ASN | 0 | -0.049 | -0.028 | 35.627 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 308 | ALA | 0 | 0.023 | 0.016 | 33.740 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 309 | GLU | -1 | -0.754 | -0.876 | 29.220 | 9.716 | 9.716 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 310 | TYR | 0 | -0.052 | -0.065 | 28.284 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 311 | ILE | 0 | -0.010 | -0.001 | 29.022 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 312 | LYS | 1 | 0.929 | 0.956 | 30.052 | -8.919 | -8.919 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 313 | MET | 0 | -0.032 | 0.019 | 24.323 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 314 | ALA | 0 | 0.048 | 0.031 | 25.112 | 0.617 | 0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 315 | ASP | -1 | -0.862 | -0.924 | 23.354 | 13.026 | 13.026 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 316 | HIS | 0 | -0.015 | -0.006 | 26.412 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 317 | TYR | 0 | 0.007 | 0.003 | 29.803 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 318 | VAL | 0 | -0.030 | -0.014 | 32.486 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 319 | PRO | 0 | -0.011 | -0.004 | 35.529 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 320 | VAL | 0 | -0.016 | 0.002 | 37.557 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 321 | PRO | 0 | 0.044 | 0.005 | 40.219 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 322 | GLY | 0 | 0.068 | 0.033 | 42.261 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 323 | GLY | 0 | -0.035 | -0.012 | 43.948 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 324 | PRO | 0 | -0.014 | -0.016 | 43.620 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 325 | ASN | 0 | 0.075 | 0.024 | 39.263 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 326 | ASN | 0 | 0.033 | 0.027 | 41.026 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 327 | ASN | 0 | -0.049 | -0.028 | 43.502 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 328 | ASN | 0 | -0.047 | -0.024 | 38.948 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 329 | TYR | 0 | 0.003 | -0.015 | 34.493 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 330 | ALA | 0 | -0.033 | -0.027 | 36.350 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 331 | ASN | 0 | -0.027 | 0.005 | 38.809 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 332 | VAL | 0 | 0.051 | 0.021 | 37.449 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 333 | GLU | -1 | -0.865 | -0.941 | 38.212 | 7.723 | 7.723 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 334 | LEU | 0 | -0.001 | 0.007 | 38.441 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 335 | ILE | 0 | -0.019 | -0.008 | 33.397 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 336 | VAL | 0 | 0.019 | 0.003 | 34.897 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 337 | ASP | -1 | -0.933 | -0.960 | 36.005 | 7.847 | 7.847 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 338 | ILE | 0 | -0.098 | -0.059 | 33.454 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 339 | ALA | 0 | 0.006 | -0.009 | 31.671 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 340 | LYS | 1 | 0.942 | 0.976 | 32.398 | -7.905 | -7.905 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 341 | ARG | 1 | 0.919 | 0.962 | 34.870 | -8.273 | -8.273 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 342 | ILE | 0 | -0.131 | -0.017 | 30.317 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 343 | PRO | 0 | 0.005 | 0.009 | 30.436 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 344 | VAL | 0 | -0.050 | -0.044 | 27.224 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 345 | GLN | 0 | 0.062 | 0.024 | 24.282 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 346 | ALA | 0 | 0.013 | 0.002 | 24.353 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 347 | VAL | 0 | 0.002 | 0.023 | 26.419 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 348 | TRP | 0 | -0.008 | 0.002 | 23.414 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 349 | ALA | 0 | 0.048 | 0.007 | 26.796 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 350 | GLY | 0 | -0.005 | 0.011 | 27.324 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 351 | TRP | 0 | 0.063 | 0.016 | 26.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 352 | GLY | 0 | 0.001 | 0.006 | 31.283 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 353 | HIS | 0 | 0.043 | 0.001 | 34.165 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 354 | ALA | 0 | 0.034 | 0.009 | 35.472 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 355 | SER | 0 | -0.061 | -0.009 | 31.587 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 356 | GLU | -1 | -0.818 | -0.894 | 32.942 | 9.067 | 9.067 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 357 | ASN | 0 | -0.020 | -0.006 | 35.562 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 358 | PRO | 0 | 0.111 | 0.045 | 36.173 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 359 | LYS | 1 | 1.019 | 0.982 | 36.858 | -7.283 | -7.283 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 360 | LEU | 0 | -0.027 | -0.003 | 32.585 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 361 | PRO | 0 | -0.015 | 0.009 | 31.705 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 362 | GLU | -1 | -0.858 | -0.925 | 33.228 | 8.011 | 8.011 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 363 | LEU | 0 | 0.004 | -0.014 | 36.311 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 364 | LEU | 0 | -0.042 | -0.024 | 30.603 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 365 | CYS | 0 | 0.022 | 0.019 | 32.472 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 366 | LYS | 1 | 0.927 | 0.969 | 33.434 | -7.619 | -7.619 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 367 | ASN | 0 | -0.089 | -0.061 | 35.517 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 368 | GLY | 0 | 0.013 | 0.018 | 32.302 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 369 | VAL | 0 | -0.075 | -0.031 | 29.049 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 370 | ALA | 0 | 0.011 | 0.003 | 25.600 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 371 | PHE | 0 | 0.037 | 0.004 | 27.500 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 372 | LEU | 0 | -0.031 | -0.012 | 21.476 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 373 | GLY | 0 | -0.052 | -0.036 | 24.938 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 374 | PRO | 0 | 0.003 | 0.018 | 27.105 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 375 | PRO | 0 | 0.028 | 0.003 | 28.958 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 376 | SER | 0 | 0.004 | -0.005 | 31.540 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 377 | GLU | -1 | -0.872 | -0.959 | 33.791 | 9.121 | 9.121 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 378 | ALA | 0 | -0.024 | 0.008 | 32.245 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 379 | MET | 0 | -0.049 | -0.025 | 32.881 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 380 | TRP | 0 | -0.037 | 0.000 | 35.308 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 381 | ALA | 0 | -0.005 | 0.001 | 37.397 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 382 | LEU | 0 | -0.068 | -0.018 | 33.143 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 383 | GLY | 0 | -0.014 | 0.010 | 37.289 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 384 | ASP | -1 | -0.758 | -0.862 | 40.258 | 7.144 | 7.144 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 385 | LYS | 1 | 0.923 | 0.950 | 42.498 | -7.478 | -7.478 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 386 | ILE | 0 | 0.000 | 0.036 | 43.851 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 387 | ALA | 0 | 0.060 | 0.023 | 43.494 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 388 | SER | 0 | 0.026 | 0.021 | 39.392 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 389 | THR | 0 | -0.010 | -0.038 | 40.888 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 390 | VAL | 0 | -0.013 | 0.002 | 43.126 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 391 | VAL | 0 | 0.003 | 0.003 | 38.577 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 392 | ALA | 0 | 0.039 | 0.008 | 39.178 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 393 | GLN | 0 | 0.014 | 0.033 | 40.191 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 394 | THR | 0 | -0.003 | -0.003 | 41.725 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 395 | LEU | 0 | -0.082 | -0.006 | 36.147 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 396 | GLN | 0 | -0.014 | -0.010 | 38.640 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 397 | VAL | 0 | -0.017 | -0.006 | 36.772 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 398 | PRO | 0 | -0.018 | 0.010 | 38.994 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 399 | THR | 0 | -0.003 | -0.013 | 41.291 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 400 | LEU | 0 | 0.015 | 0.004 | 43.886 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 401 | PRO | 0 | 0.001 | -0.008 | 46.663 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 402 | TRP | 0 | -0.017 | -0.040 | 47.289 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 403 | SER | 0 | -0.010 | -0.018 | 51.067 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 404 | GLY | 0 | 0.081 | 0.030 | 50.378 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 405 | SER | 0 | -0.023 | 0.000 | 49.340 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 406 | GLY | 0 | -0.039 | -0.014 | 49.069 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 407 | LEU | 0 | -0.046 | -0.004 | 49.066 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 408 | THR | 0 | -0.038 | -0.014 | 45.977 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 409 | VAL | 0 | 0.010 | -0.009 | 44.719 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 410 | GLU | -1 | -0.966 | -0.983 | 45.603 | 6.772 | 6.772 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 411 | TRP | 0 | -0.008 | -0.014 | 37.078 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 412 | THR | 0 | -0.050 | -0.040 | 40.664 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 413 | GLU | -1 | -0.840 | -0.895 | 40.931 | 7.328 | 7.328 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 414 | ASP | -1 | -0.916 | -0.949 | 37.090 | 8.488 | 8.488 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 415 | ASP | -1 | -0.940 | -0.952 | 32.301 | 9.701 | 9.701 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 416 | LEU | 0 | -0.016 | -0.024 | 34.112 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 417 | GLN | 0 | -0.018 | -0.018 | 34.168 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 418 | GLN | 0 | 0.037 | 0.015 | 30.951 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 419 | GLY | 0 | -0.068 | -0.033 | 34.221 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 420 | LYS | 1 | 0.792 | 0.869 | 37.037 | -7.726 | -7.726 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 421 | ARG | 1 | 0.884 | 0.957 | 31.510 | -9.688 | -9.688 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 422 | ILE | 0 | 0.008 | 0.024 | 37.166 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 423 | SER | 0 | -0.015 | -0.026 | 39.835 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 424 | VAL | 0 | -0.012 | 0.006 | 42.873 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 425 | PRO | 0 | 0.012 | 0.011 | 45.679 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 426 | GLU | -1 | -0.902 | -0.953 | 49.164 | 6.209 | 6.209 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 427 | ASP | -1 | -0.847 | -0.931 | 51.511 | 5.898 | 5.898 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 428 | VAL | 0 | -0.101 | -0.054 | 49.265 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 429 | TYR | 0 | -0.050 | -0.076 | 47.109 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 430 | ASP | -1 | -0.873 | -0.939 | 50.597 | 5.929 | 5.929 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 431 | LYS | 1 | 0.900 | 0.957 | 53.828 | -5.794 | -5.794 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 432 | GLY | 0 | 0.029 | 0.020 | 51.275 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 433 | CYS | 0 | -0.141 | -0.050 | 52.333 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 434 | VAL | 0 | -0.007 | 0.003 | 54.402 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 435 | LYS | 1 | 0.950 | 0.974 | 57.397 | -5.600 | -5.600 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 436 | ASP | -1 | -0.894 | -0.947 | 60.135 | 4.997 | 4.997 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 437 | VAL | 0 | -0.028 | -0.027 | 62.124 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 438 | ASP | -1 | -0.897 | -0.943 | 63.910 | 4.827 | 4.827 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 439 | GLU | -1 | -0.871 | -0.950 | 60.007 | 5.424 | 5.424 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 440 | GLY | 0 | 0.006 | -0.006 | 59.620 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 441 | LEU | 0 | -0.028 | -0.035 | 60.232 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 442 | GLU | -1 | -0.930 | -0.947 | 62.622 | 5.020 | 5.020 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 443 | ALA | 0 | -0.047 | -0.026 | 57.162 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 444 | ALA | 0 | -0.015 | -0.032 | 57.854 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 445 | GLU | -1 | -0.932 | -0.957 | 58.934 | 5.143 | 5.143 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 446 | ARG | 1 | 0.891 | 0.957 | 57.623 | -5.427 | -5.427 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 447 | ILE | 0 | -0.087 | -0.013 | 53.409 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 448 | GLY | 0 | -0.001 | -0.002 | 55.267 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 449 | PHE | 0 | -0.007 | 0.011 | 56.208 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 450 | PRO | 0 | -0.022 | -0.035 | 54.466 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 451 | LEU | 0 | -0.006 | -0.005 | 53.122 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 452 | MET | 0 | -0.081 | -0.032 | 49.568 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 453 | ILE | 0 | 0.028 | 0.019 | 52.695 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 454 | LYS | 1 | 0.840 | 0.911 | 46.294 | -6.886 | -6.886 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 455 | ALA | 0 | 0.057 | 0.039 | 51.716 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 456 | SER | 0 | -0.011 | -0.018 | 47.805 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 457 | GLU | -1 | -0.901 | -0.950 | 47.189 | 6.450 | 6.450 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 458 | GLY | 0 | 0.009 | 0.006 | 48.327 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 459 | GLY | 0 | -0.003 | 0.008 | 44.027 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 460 | GLY | 0 | 0.072 | 0.029 | 42.391 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 461 | GLY | 0 | -0.047 | -0.036 | 43.284 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 462 | LYS | 1 | 0.879 | 0.920 | 45.240 | -7.027 | -7.027 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 463 | GLY | 0 | 0.126 | 0.098 | 49.847 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 464 | ILE | 0 | -0.058 | -0.040 | 48.937 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 465 | ARG | 1 | 0.823 | 0.912 | 52.606 | -5.788 | -5.788 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 466 | LYS | 1 | 0.902 | 0.953 | 53.474 | -5.937 | -5.937 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 467 | ALA | 0 | 0.002 | -0.005 | 55.182 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 468 | GLU | -1 | -0.787 | -0.915 | 57.570 | 5.799 | 5.799 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 469 | SER | 0 | 0.002 | -0.001 | 59.694 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 470 | ALA | 0 | 0.057 | 0.018 | 62.488 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 471 | GLU | -1 | -0.944 | -0.972 | 64.358 | 4.726 | 4.726 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 472 | ASP | -1 | -0.899 | -0.954 | 62.476 | 5.109 | 5.109 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 473 | PHE | 0 | -0.043 | -0.008 | 58.227 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 474 | PRO | 0 | 0.045 | 0.009 | 62.145 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 475 | ILE | 0 | -0.054 | -0.024 | 63.845 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 476 | LEU | 0 | -0.002 | -0.005 | 58.905 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 477 | PHE | 0 | 0.040 | 0.021 | 58.193 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 478 | ARG | 1 | 0.994 | 0.990 | 60.189 | -4.822 | -4.822 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 479 | GLN | 0 | -0.030 | -0.002 | 60.011 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 480 | VAL | 0 | -0.010 | 0.007 | 55.065 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 481 | GLN | 0 | 0.020 | 0.002 | 57.334 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 482 | SER | 0 | -0.070 | -0.038 | 59.472 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 483 | GLU | -1 | -0.959 | -0.975 | 53.995 | 5.965 | 5.965 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 484 | ILE | 0 | -0.042 | -0.016 | 51.687 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 485 | PRO | 0 | 0.012 | 0.007 | 55.873 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 486 | GLY | 0 | -0.019 | -0.014 | 56.890 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 487 | SER | 0 | 0.020 | 0.029 | 52.273 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 488 | PRO | 0 | 0.000 | 0.011 | 51.267 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 489 | ILE | 0 | -0.004 | 0.003 | 52.621 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 490 | PHE | 0 | 0.040 | 0.021 | 47.351 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 491 | LEU | 0 | -0.011 | -0.007 | 52.570 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 492 | MET | 0 | 0.001 | 0.002 | 45.760 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 493 | LYS | 1 | 0.906 | 0.980 | 50.505 | -6.245 | -6.245 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 494 | LEU | 0 | -0.032 | -0.015 | 49.275 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 495 | ALA | 0 | 0.019 | 0.011 | 46.128 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 496 | GLN | 0 | -0.023 | -0.033 | 48.071 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 497 | HIS | 0 | 0.002 | 0.007 | 47.390 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 498 | ALA | 0 | 0.027 | 0.013 | 43.419 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 499 | ARG | 1 | 0.781 | 0.881 | 37.171 | -8.583 | -8.583 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 500 | HIS | 0 | -0.006 | -0.002 | 37.342 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 501 | LEU | 0 | -0.024 | -0.007 | 33.882 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 502 | GLU | -1 | -0.836 | -0.926 | 30.740 | 10.128 | 10.128 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 503 | VAL | 0 | 0.033 | 0.028 | 27.848 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 504 | GLN | 0 | -0.056 | -0.036 | 24.458 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 505 | ILE | 0 | -0.026 | -0.006 | 24.830 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 506 | LEU | 0 | -0.003 | -0.011 | 18.161 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 507 | ALA | 0 | 0.050 | 0.031 | 22.660 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 508 | ASP | -1 | -0.729 | -0.850 | 20.469 | 14.827 | 14.827 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 509 | GLN | 0 | -0.015 | -0.024 | 22.402 | -0.707 | -0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 510 | TYR | 0 | -0.111 | -0.101 | 20.886 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 511 | GLY | 0 | 0.047 | 0.044 | 25.224 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 512 | ASN | 0 | -0.091 | -0.055 | 21.657 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 513 | ALA | 0 | -0.006 | -0.036 | 23.679 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 514 | VAL | 0 | -0.027 | 0.002 | 19.533 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 515 | SER | 0 | 0.042 | 0.022 | 22.930 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 516 | LEU | 0 | -0.074 | -0.044 | 19.088 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 517 | PHE | 0 | 0.055 | 0.027 | 20.494 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 518 | GLY | 0 | 0.044 | -0.003 | 25.208 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 519 | ARG | 1 | 0.783 | 0.881 | 26.139 | -11.298 | -11.298 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 520 | ASP | -1 | -0.768 | -0.873 | 29.969 | 8.879 | 8.879 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 521 | CYS | 0 | -0.086 | -0.025 | 33.526 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 522 | SER | 0 | 0.044 | -0.018 | 35.638 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 523 | ILE | 0 | -0.003 | 0.011 | 37.677 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 524 | GLN | 0 | 0.097 | 0.046 | 39.181 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 525 | ARG | 1 | 0.872 | 0.904 | 41.466 | -7.331 | -7.331 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 526 | ARG | 1 | 0.914 | 0.952 | 40.713 | -7.517 | -7.517 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 527 | HIS | 0 | 0.023 | 0.013 | 44.370 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 528 | GLN | 0 | -0.021 | -0.002 | 39.763 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 529 | LYS | 1 | 0.940 | 0.984 | 32.909 | -9.872 | -9.872 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 530 | ILE | 0 | -0.125 | -0.051 | 37.499 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 531 | VAL | 0 | 0.020 | 0.007 | 34.265 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 532 | GLU | -1 | -0.801 | -0.887 | 30.670 | 10.086 | 10.086 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 533 | GLU | -1 | -0.760 | -0.823 | 30.335 | 9.796 | 9.796 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 534 | ALA | 0 | 0.010 | 0.035 | 25.884 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 535 | PRO | 0 | 0.080 | 0.028 | 25.847 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 536 | ALA | 0 | 0.008 | -0.014 | 27.696 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 537 | THR | 0 | -0.017 | -0.017 | 30.503 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 538 | ILE | 0 | -0.021 | 0.010 | 32.704 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 539 | ALA | 0 | -0.014 | 0.005 | 34.488 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 540 | PRO | 0 | 0.016 | 0.002 | 34.165 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 541 | LEU | 0 | 0.059 | 0.024 | 28.026 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 542 | ALA | 0 | 0.014 | 0.016 | 31.948 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 543 | ILE | 0 | -0.011 | -0.009 | 33.864 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 544 | PHE | 0 | 0.016 | -0.017 | 28.270 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 545 | GLU | -1 | -0.808 | -0.895 | 27.996 | 11.641 | 11.641 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 546 | PHE | 0 | -0.031 | -0.004 | 30.538 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 547 | MET | 0 | -0.045 | 0.003 | 33.084 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 548 | GLU | -1 | -0.835 | -0.940 | 26.771 | 12.414 | 12.414 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 549 | GLN | 0 | -0.014 | -0.004 | 29.738 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 550 | CYS | 0 | -0.060 | -0.030 | 30.804 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 551 | ALA | 0 | -0.001 | 0.006 | 30.041 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 552 | ILE | 0 | 0.025 | -0.007 | 25.920 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 553 | ARG | 1 | 0.881 | 0.937 | 29.303 | -9.105 | -9.105 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 554 | LEU | 0 | 0.025 | 0.023 | 32.310 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 555 | ALA | 0 | -0.002 | -0.006 | 28.697 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 556 | LYS | 1 | 0.903 | 0.951 | 26.497 | -11.906 | -11.906 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 557 | THR | 0 | -0.005 | 0.013 | 30.597 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 558 | VAL | 0 | 0.004 | 0.002 | 33.020 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 559 | GLY | 0 | 0.033 | 0.020 | 31.020 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 560 | TYR | 0 | -0.046 | -0.062 | 26.928 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 561 | VAL | 0 | 0.005 | 0.003 | 24.524 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 562 | SER | 0 | -0.002 | -0.002 | 22.947 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 563 | ALA | 0 | -0.010 | -0.008 | 22.697 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 564 | GLY | 0 | 0.025 | 0.043 | 24.421 | -0.440 | -0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 565 | THR | 0 | -0.039 | 0.008 | 27.249 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 566 | VAL | 0 | -0.007 | 0.010 | 29.812 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 567 | GLU | -1 | -0.848 | -0.943 | 32.490 | 9.563 | 9.563 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 568 | TYR | 0 | -0.004 | -0.021 | 33.040 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 569 | LEU | 0 | -0.052 | -0.026 | 37.393 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 570 | TYR | 0 | 0.070 | 0.031 | 38.194 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 571 | SER | 0 | 0.043 | 0.013 | 40.314 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 572 | GLN | 0 | -0.018 | -0.003 | 42.882 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 573 | ASP | -1 | -0.901 | -0.920 | 44.534 | 7.184 | 7.184 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 574 | GLY | 0 | 0.005 | 0.003 | 41.619 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 575 | SER | 0 | -0.101 | -0.068 | 41.283 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 576 | PHE | 0 | 0.011 | -0.019 | 37.229 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 577 | HIS | 0 | -0.032 | -0.023 | 40.467 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 578 | PHE | 0 | 0.010 | 0.007 | 36.112 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 579 | LEU | 0 | -0.072 | -0.036 | 38.579 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 580 | GLU | -1 | -0.919 | -0.975 | 36.512 | 8.254 | 8.254 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 581 | LEU | 0 | 0.009 | 0.016 | 30.799 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 582 | ASN | 0 | 0.013 | 0.009 | 32.435 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 583 | PRO | 0 | -0.006 | -0.006 | 31.079 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 584 | ARG | 1 | 0.853 | 0.918 | 28.745 | -9.654 | -9.654 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 585 | LEU | 0 | 0.002 | 0.013 | 23.097 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 586 | GLN | 0 | 0.071 | 0.019 | 26.882 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 587 | VAL | 0 | -0.025 | 0.012 | 27.197 | 0.465 | 0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 588 | GLU | -1 | -0.853 | -0.948 | 27.676 | 10.458 | 10.458 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 589 | HIS | 0 | -0.045 | -0.034 | 21.900 | 0.694 | 0.694 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 590 | PRO | 0 | 0.020 | -0.001 | 21.970 | 0.580 | 0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 591 | CYS | 0 | -0.001 | 0.012 | 22.234 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 592 | THR | 0 | 0.094 | 0.045 | 21.370 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 593 | GLU | -1 | -0.831 | -0.892 | 18.279 | 16.661 | 16.661 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 594 | MET | 0 | -0.042 | -0.010 | 17.950 | 1.172 | 1.172 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 595 | ILE | 0 | -0.007 | 0.009 | 18.971 | 0.819 | 0.819 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 596 | ALA | 0 | 0.013 | 0.004 | 18.522 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 597 | ASP | -1 | -0.972 | -0.975 | 12.538 | 25.951 | 25.951 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 598 | VAL | 0 | 0.001 | 0.010 | 13.644 | 1.340 | 1.340 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 599 | ASN | 0 | -0.044 | -0.031 | 13.442 | -2.582 | -2.582 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 600 | LEU | 0 | 0.050 | 0.001 | 15.545 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 601 | PRO | 0 | -0.046 | -0.021 | 18.653 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 602 | ALA | 0 | 0.027 | 0.008 | 14.062 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 603 | ALA | 0 | 0.021 | 0.024 | 15.698 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 604 | GLN | 0 | 0.045 | 0.020 | 16.530 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 605 | LEU | 0 | -0.022 | -0.016 | 16.455 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 606 | GLN | 0 | -0.015 | -0.019 | 12.113 | 0.899 | 0.899 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 607 | ILE | 0 | 0.016 | 0.015 | 16.629 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 608 | ALA | 0 | 0.006 | 0.016 | 19.539 | -0.565 | -0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 609 | MET | 0 | -0.114 | -0.051 | 16.621 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 610 | GLY | 0 | 0.094 | 0.059 | 20.241 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 611 | VAL | 0 | -0.053 | 0.007 | 14.161 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 612 | PRO | 0 | 0.001 | 0.003 | 16.824 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 613 | LEU | 0 | 0.048 | 0.027 | 16.298 | 1.394 | 1.394 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 614 | HIS | 0 | 0.003 | 0.017 | 15.439 | 0.996 | 0.996 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 615 | ARG | 1 | 0.839 | 0.927 | 11.259 | -22.294 | -22.294 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 616 | LEU | 0 | 0.002 | 0.008 | 11.616 | 1.869 | 1.869 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 617 | LYS | 1 | 0.974 | 0.995 | 5.723 | -41.564 | -41.564 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 618 | ASP | -1 | -0.850 | -0.937 | 9.365 | 28.164 | 28.164 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 619 | ILE | 0 | -0.004 | 0.003 | 11.509 | -1.093 | -1.093 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 620 | ARG | 1 | 0.804 | 0.889 | 9.674 | -27.414 | -27.414 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 621 | LEU | 0 | -0.036 | -0.018 | 7.542 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 622 | LEU | 0 | -0.018 | 0.018 | 11.327 | -1.184 | -1.184 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 623 | TYR | 0 | -0.016 | -0.034 | 14.636 | -1.568 | -1.568 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 624 | GLY | 0 | 0.010 | 0.024 | 13.611 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 625 | GLU | -1 | -0.939 | -0.962 | 12.219 | 21.188 | 21.188 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 626 | SER | 0 | -0.038 | -0.028 | 7.792 | 2.725 | 2.725 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 627 | PRO | 0 | 0.059 | 0.019 | 4.136 | -3.304 | -3.041 | 0.000 | -0.042 | -0.221 | 0.000 |
388 | A | 628 | TRP | 0 | -0.008 | -0.057 | 1.578 | -28.015 | -41.530 | 27.985 | -8.987 | -5.484 | 0.073 |
389 | A | 629 | GLY | 0 | -0.030 | 0.011 | 6.793 | -2.775 | -2.775 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 630 | VAL | 0 | 0.013 | -0.024 | 10.092 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 631 | THR | 0 | -0.022 | -0.005 | 13.253 | -0.859 | -0.859 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 632 | PRO | 0 | 0.025 | 0.004 | 15.576 | 0.902 | 0.902 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 633 | ILE | 0 | 0.036 | 0.022 | 14.134 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 634 | SER | 0 | -0.024 | -0.004 | 18.563 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 635 | PHE | 0 | -0.003 | -0.009 | 17.612 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 636 | GLU | -1 | -0.928 | -0.959 | 22.359 | 11.328 | 11.328 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 637 | THR | 0 | 0.006 | 0.000 | 24.570 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 638 | PRO | 0 | -0.026 | -0.039 | 20.519 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 639 | SER | 0 | -0.077 | -0.035 | 23.573 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 640 | ASN | 0 | 0.020 | 0.003 | 24.371 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 641 | PRO | 0 | 0.001 | 0.010 | 19.512 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 642 | PRO | 0 | -0.015 | 0.005 | 19.092 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 643 | LEU | 0 | 0.011 | 0.005 | 19.871 | -0.904 | -0.904 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 644 | ALA | 0 | -0.026 | -0.007 | 20.147 | 0.719 | 0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 645 | ARG | 1 | 0.890 | 0.936 | 14.651 | -20.092 | -20.092 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 646 | GLY | 0 | 0.010 | 0.011 | 20.363 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 647 | HIS | 0 | -0.018 | -0.010 | 23.545 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 648 | VAL | 0 | -0.018 | -0.012 | 23.803 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 649 | ILE | 0 | -0.016 | 0.009 | 26.849 | -0.319 | -0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 650 | ALA | 0 | 0.018 | -0.011 | 28.951 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 651 | ALA | 0 | 0.004 | 0.007 | 30.620 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 652 | ARG | 1 | 0.935 | 0.967 | 33.632 | -8.382 | -8.382 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 653 | ILE | 0 | -0.020 | -0.008 | 33.837 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 654 | THR | 0 | -0.025 | -0.016 | 37.107 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 667 | GLY | 0 | 0.010 | -0.015 | 34.851 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 668 | THR | 0 | -0.067 | -0.028 | 33.296 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 669 | VAL | 0 | -0.053 | -0.054 | 28.623 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 670 | GLN | 0 | 0.005 | 0.021 | 31.017 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 671 | GLU | -1 | -0.836 | -0.914 | 25.729 | 11.255 | 11.255 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 672 | LEU | 0 | -0.026 | -0.030 | 28.801 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 673 | ASN | 0 | -0.072 | -0.032 | 28.421 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 674 | PHE | 0 | 0.017 | 0.002 | 28.440 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 675 | ARG | 1 | 0.957 | 0.992 | 28.472 | -9.180 | -9.180 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 676 | SER | 0 | -0.059 | -0.049 | 30.351 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 677 | SER | 0 | 0.006 | 0.006 | 30.387 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 678 | LYS | 1 | 0.890 | 0.949 | 25.783 | -10.832 | -10.832 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 679 | ASN | 0 | 0.009 | 0.023 | 23.508 | 0.720 | 0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 680 | VAL | 0 | 0.037 | 0.013 | 25.131 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 681 | TRP | 0 | -0.028 | -0.009 | 22.932 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 682 | GLY | 0 | 0.062 | 0.019 | 26.340 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 683 | TYR | 0 | -0.077 | -0.025 | 28.076 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 684 | PHE | 0 | 0.015 | 0.001 | 30.108 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 685 | SER | 0 | 0.018 | 0.017 | 32.908 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 686 | VAL | 0 | -0.017 | 0.002 | 34.879 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 699 | GLN | 0 | -0.017 | -0.023 | 38.188 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 700 | PHE | 0 | -0.033 | -0.014 | 35.037 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 701 | GLY | 0 | 0.022 | 0.001 | 33.450 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 702 | HIS | 0 | 0.024 | 0.041 | 30.095 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 703 | CYS | 0 | -0.027 | 0.000 | 29.867 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 704 | PHE | 0 | -0.016 | -0.020 | 25.977 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 705 | SER | 0 | -0.025 | -0.019 | 27.119 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 706 | TRP | 0 | -0.005 | -0.009 | 21.395 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 707 | GLY | 0 | 0.027 | -0.003 | 25.339 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 708 | GLU | -1 | -0.921 | -0.959 | 22.781 | 14.049 | 14.049 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 709 | ASN | 0 | 0.007 | -0.001 | 25.337 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 710 | ARG | 1 | 0.840 | 0.886 | 28.360 | -9.288 | -9.288 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 711 | GLU | -1 | -0.940 | -0.954 | 31.095 | 9.126 | 9.126 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 712 | GLU | -1 | -0.811 | -0.917 | 26.985 | 11.951 | 11.951 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 713 | ALA | 0 | 0.014 | 0.014 | 28.668 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 714 | ILE | 0 | 0.021 | 0.014 | 29.905 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 715 | SER | 0 | 0.012 | 0.007 | 33.307 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 716 | ASN | 0 | -0.048 | -0.040 | 27.832 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 717 | MET | 0 | -0.017 | -0.006 | 30.872 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 718 | VAL | 0 | -0.014 | 0.000 | 32.729 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 719 | VAL | 0 | -0.031 | -0.020 | 33.305 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 720 | ALA | 0 | 0.013 | 0.012 | 31.406 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 721 | LEU | 0 | -0.025 | -0.023 | 33.509 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 722 | LYS | 1 | 0.995 | 0.992 | 36.443 | -8.155 | -8.155 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 723 | GLU | -1 | -0.786 | -0.844 | 33.013 | 9.484 | 9.484 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 724 | LEU | 0 | -0.079 | -0.058 | 34.859 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 725 | SER | 0 | -0.074 | -0.048 | 37.009 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 726 | ILE | 0 | -0.016 | 0.016 | 38.438 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 727 | ARG | 1 | 0.850 | 0.898 | 33.194 | -9.078 | -9.078 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 728 | GLY | 0 | 0.013 | 0.016 | 40.466 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 729 | ASP | -1 | -0.845 | -0.922 | 39.670 | 7.800 | 7.800 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 730 | PHE | 0 | -0.029 | -0.018 | 37.533 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 731 | ARG | 1 | 0.925 | 0.966 | 41.016 | -6.743 | -6.743 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 732 | THR | 0 | 0.068 | 0.026 | 43.803 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 733 | THR | 0 | -0.002 | -0.005 | 39.520 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 734 | VAL | 0 | 0.015 | 0.003 | 38.530 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 735 | GLU | -1 | -0.919 | -0.951 | 40.903 | 6.872 | 6.872 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 736 | TYR | 0 | -0.059 | -0.031 | 42.103 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 737 | LEU | 0 | -0.021 | -0.025 | 36.936 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 738 | ILE | 0 | 0.030 | 0.018 | 39.442 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 739 | ASN | 0 | -0.003 | 0.001 | 41.050 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 740 | LEU | 0 | -0.082 | -0.042 | 40.787 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 741 | LEU | 0 | -0.021 | -0.027 | 36.148 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 742 | GLU | -1 | -0.868 | -0.923 | 39.669 | 8.078 | 8.078 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 743 | THR | 0 | -0.094 | -0.034 | 42.067 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 744 | GLU | -1 | -0.875 | -0.961 | 42.817 | 7.500 | 7.500 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 745 | SER | 0 | -0.022 | 0.004 | 43.232 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 746 | PHE | 0 | 0.030 | 0.015 | 35.628 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 747 | GLN | 0 | -0.008 | -0.016 | 38.676 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 748 | ASN | 0 | -0.027 | -0.008 | 38.678 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 749 | ASN | 0 | -0.057 | -0.021 | 35.868 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 750 | ASP | -1 | -0.865 | -0.930 | 39.568 | 7.430 | 7.430 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 751 | ILE | 0 | -0.086 | -0.042 | 41.293 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |