FMODB ID: 9YVV2
Calculation Name: 6YOR-EHL-EM133
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 6YOR
Chain ID: EHL
UniProt ID: P0DTC2
Base Structure: ElectronMicroscopy
Registration Date: 2020-06-09
Reference: K. Watanabe, K. Kato Y. Handa, Y. Kawashima, K. Fukuzawa, C. Watanabe, T. Honma, , To be published
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHLRSolv |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 626 |
LigandCharge | None |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12771549.369878 |
---|---|
FMO2-HF: Nuclear repulsion | 12527648.663412 |
FMO2-HF: Total energy | -243900.706466 |
FMO2-MP2: Total energy | -244610.931781 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-191 : frag 192-626)
"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. |
-496.6496 | -461.9461 | 216.4527 | -101.8179 | -149.3383 | -0.2088 |
Interactive mode: IFIE and PIEDA for fragment #1(E:334:ASN )
Summations of interaction energy for
fragment #1(E:334:ASN )
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. |
18.44 | 22.425 | 7.03 | -4.769 | -6.246 | -0.04 |
Interaction energy analysis for fragmet #1(E:334:ASN )
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 | E | 361 | CYS | 0 | -0.084 | -0.013 | 2.004 | -26.879 | -23.914 | 6.966 | -4.970 | -4.962 | -0.040 |
4 | E | 337 | PRO | 0 | 0.023 | 0.030 | 5.928 | 3.235 | 3.235 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | E | 338 | PHE | 0 | 0.032 | -0.003 | 8.052 | 3.086 | 3.086 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | E | 339 | GLY | 0 | 0.021 | 0.012 | 10.412 | 2.228 | 2.228 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | E | 340 | GLU | -1 | -0.866 | -0.930 | 9.985 | -26.037 | -26.037 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | E | 341 | VAL | 0 | -0.023 | -0.008 | 12.964 | 1.180 | 1.180 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | E | 342 | PHE | 0 | 0.000 | -0.018 | 14.839 | 1.311 | 1.311 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | E | 343 | ASN | 0 | -0.011 | -0.008 | 15.817 | 1.516 | 1.516 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | E | 344 | ALA | 0 | 0.008 | 0.025 | 17.495 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | E | 345 | THR | 0 | 0.029 | -0.001 | 18.425 | 0.753 | 0.753 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | E | 346 | ARG | 1 | 0.935 | 0.974 | 21.581 | 12.440 | 12.440 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | E | 347 | PHE | 0 | 0.034 | 0.026 | 19.914 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | E | 348 | ALA | 0 | 0.000 | -0.001 | 23.489 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | E | 349 | SER | 0 | 0.027 | 0.008 | 25.408 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | E | 350 | VAL | 0 | -0.004 | 0.011 | 27.788 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | E | 351 | TYR | 0 | 0.022 | 0.008 | 28.583 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | E | 352 | ALA | 0 | -0.047 | -0.010 | 27.552 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | E | 353 | TRP | 0 | -0.045 | 0.005 | 21.773 | -0.772 | -0.772 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | E | 354 | ASN | 0 | 0.011 | 0.004 | 19.066 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | E | 355 | ARG | 1 | 0.832 | 0.900 | 17.557 | 14.984 | 14.984 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | E | 356 | LYS | 1 | 0.865 | 0.930 | 10.578 | 25.964 | 25.964 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | E | 357 | ARG | 1 | 0.881 | 0.929 | 11.932 | 21.262 | 21.262 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | E | 358 | ILE | 0 | -0.042 | -0.016 | 8.323 | -1.944 | -1.944 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | E | 359 | SER | 0 | 0.049 | 0.001 | 7.553 | 2.916 | 2.916 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | E | 360 | ASN | 0 | 0.012 | -0.001 | 4.047 | -0.799 | -0.458 | -0.001 | -0.153 | -0.187 | -0.001 |
28 | E | 362 | VAL | 0 | 0.051 | 0.040 | 3.270 | 7.884 | 8.618 | 0.066 | 0.365 | -1.165 | 0.001 |
29 | E | 363 | ALA | 0 | 0.024 | -0.006 | 5.382 | -2.919 | -2.974 | -0.001 | -0.011 | 0.068 | 0.000 |
30 | E | 364 | ASP | -1 | -0.767 | -0.869 | 8.790 | -21.737 | -21.737 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | E | 365 | TYR | 0 | 0.027 | -0.001 | 10.678 | 0.579 | 0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | E | 366 | SER | 0 | -0.050 | -0.049 | 13.776 | 2.006 | 2.006 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | E | 367 | VAL | 0 | -0.012 | -0.011 | 11.479 | 1.358 | 1.358 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | E | 368 | LEU | 0 | -0.034 | -0.007 | 13.897 | 1.035 | 1.035 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | E | 369 | TYR | 0 | 0.019 | -0.001 | 17.021 | 0.820 | 0.820 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | E | 370 | ASN | 0 | -0.020 | -0.023 | 17.291 | 1.727 | 1.727 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | E | 371 | SER | 0 | -0.018 | 0.021 | 18.868 | 0.667 | 0.667 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | E | 372 | ALA | 0 | -0.002 | -0.007 | 20.571 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | E | 373 | SER | 0 | -0.038 | -0.023 | 21.944 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | E | 374 | PHE | 0 | -0.019 | -0.001 | 18.719 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | E | 375 | SER | 0 | -0.035 | -0.030 | 24.817 | 0.376 | 0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | E | 376 | THR | 0 | -0.036 | -0.022 | 26.721 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | E | 377 | PHE | 0 | 0.028 | -0.002 | 19.015 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | E | 378 | LYS | 1 | 0.822 | 0.906 | 24.982 | 10.250 | 10.250 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | E | 432 | CYS | 0 | -0.115 | -0.030 | 19.949 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | E | 380 | TYR | 0 | 0.039 | 0.006 | 24.253 | 0.627 | 0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | E | 381 | GLY | 0 | 0.094 | 0.041 | 24.118 | -0.498 | -0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | E | 382 | VAL | 0 | -0.003 | 0.011 | 19.183 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | E | 383 | SER | 0 | 0.017 | 0.006 | 21.682 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | E | 384 | PRO | 0 | -0.003 | -0.006 | 18.774 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | E | 385 | THR | 0 | -0.059 | -0.052 | 18.196 | -0.838 | -0.838 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | E | 386 | LYS | 1 | 0.818 | 0.912 | 19.477 | 12.681 | 12.681 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | E | 387 | LEU | 0 | 0.033 | 0.024 | 14.745 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | E | 388 | ASN | 0 | -0.079 | -0.041 | 13.095 | -1.483 | -1.483 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | E | 389 | ASP | -1 | -0.865 | -0.939 | 12.816 | -18.651 | -18.651 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | E | 390 | LEU | 0 | -0.017 | 0.009 | 13.455 | 0.869 | 0.869 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | E | 525 | CYS | 0 | -0.013 | -0.009 | 6.862 | 1.704 | 1.704 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | E | 392 | PHE | 0 | 0.037 | 0.010 | 11.237 | 1.860 | 1.860 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | E | 393 | THR | 0 | -0.033 | -0.033 | 11.211 | -1.653 | -1.653 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | E | 394 | ASN | 0 | -0.027 | -0.025 | 11.190 | -3.020 | -3.020 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | E | 395 | VAL | 0 | 0.021 | 0.019 | 11.689 | 1.015 | 1.015 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | E | 396 | TYR | 0 | -0.073 | -0.056 | 12.956 | -1.195 | -1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | E | 397 | ALA | 0 | 0.028 | 0.006 | 14.488 | 0.562 | 0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | E | 398 | ASP | -1 | -0.721 | -0.794 | 16.311 | -15.148 | -15.148 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | E | 399 | SER | 0 | -0.013 | -0.003 | 19.277 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | E | 400 | PHE | 0 | -0.016 | -0.022 | 21.120 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | E | 401 | VAL | 0 | 0.011 | 0.012 | 24.789 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | E | 402 | ILE | 0 | -0.015 | 0.005 | 27.762 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | E | 403 | ARG | 1 | 0.829 | 0.905 | 31.026 | 8.320 | 8.320 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | E | 404 | GLY | 0 | 0.020 | 0.007 | 32.900 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | E | 405 | ASP | -1 | -0.829 | -0.904 | 33.928 | -8.233 | -8.233 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | E | 406 | GLU | -1 | -0.835 | -0.890 | 33.672 | -8.771 | -8.771 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | E | 407 | VAL | 0 | 0.014 | 0.011 | 28.939 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | E | 408 | ARG | 1 | 0.860 | 0.913 | 30.694 | 8.340 | 8.340 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | E | 409 | GLN | 0 | 0.062 | 0.022 | 33.052 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | E | 410 | ILE | 0 | -0.053 | -0.006 | 26.251 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | E | 411 | ALA | 0 | 0.033 | 0.001 | 28.461 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | E | 412 | PRO | 0 | -0.012 | 0.008 | 28.419 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | E | 413 | GLY | 0 | 0.000 | -0.013 | 30.990 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | E | 414 | GLN | 0 | -0.122 | -0.033 | 33.225 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | E | 415 | THR | 0 | 0.039 | 0.013 | 35.440 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | E | 416 | GLY | 0 | -0.040 | -0.029 | 37.721 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | E | 417 | LYS | 1 | 0.877 | 0.940 | 37.156 | 7.550 | 7.550 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | E | 418 | ILE | 0 | 0.000 | 0.009 | 31.292 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | E | 419 | ALA | 0 | 0.038 | 0.026 | 32.457 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | E | 420 | ASP | -1 | -0.790 | -0.881 | 33.468 | -8.509 | -8.509 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | E | 421 | TYR | 0 | -0.058 | -0.039 | 35.356 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | E | 422 | ASN | 0 | -0.039 | -0.025 | 31.146 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | E | 423 | TYR | 0 | 0.015 | -0.044 | 22.662 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | E | 424 | LYS | 1 | 0.889 | 0.971 | 29.227 | 9.829 | 9.829 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | E | 425 | LEU | 0 | 0.018 | 0.018 | 24.686 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | E | 426 | PRO | 0 | -0.011 | -0.003 | 25.556 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | E | 427 | ASP | -1 | -0.802 | -0.931 | 28.672 | -9.793 | -9.793 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | E | 428 | ASP | -1 | -0.856 | -0.928 | 27.083 | -11.192 | -11.192 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | E | 429 | PHE | 0 | -0.045 | -0.023 | 22.298 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | E | 430 | THR | 0 | 0.011 | 0.003 | 21.545 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | E | 431 | GLY | 0 | 0.024 | -0.011 | 20.110 | -0.786 | -0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | E | 433 | VAL | 0 | 0.028 | 0.021 | 21.248 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | E | 434 | ILE | 0 | -0.035 | -0.007 | 19.098 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | E | 435 | ALA | 0 | 0.015 | 0.004 | 23.046 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | E | 436 | TRP | 0 | 0.015 | 0.001 | 20.107 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | E | 437 | ASN | 0 | -0.029 | -0.009 | 26.405 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | E | 438 | SER | 0 | 0.025 | -0.016 | 26.603 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | E | 439 | ASN | 0 | 0.017 | 0.018 | 28.481 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | E | 440 | ASN | 0 | -0.001 | -0.007 | 27.241 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | E | 441 | LEU | 0 | -0.044 | -0.013 | 24.477 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | E | 442 | ASP | -1 | -0.754 | -0.804 | 27.366 | -11.694 | -11.694 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | E | 443 | SER | 0 | 0.022 | -0.010 | 30.213 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | E | 444 | LYS | 1 | 0.890 | 0.950 | 32.641 | 9.406 | 9.406 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | E | 445 | VAL | 0 | 0.044 | 0.009 | 36.366 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | E | 446 | GLY | 0 | 0.025 | 0.027 | 39.911 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | E | 447 | GLY | 0 | 0.008 | 0.004 | 38.732 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | E | 448 | ASN | 0 | -0.101 | -0.069 | 31.230 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | E | 449 | TYR | 0 | 0.021 | 0.012 | 35.058 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | E | 450 | ASN | 0 | -0.069 | -0.050 | 31.663 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | E | 451 | TYR | 0 | -0.051 | -0.034 | 26.893 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | E | 452 | LEU | 0 | 0.024 | 0.007 | 32.142 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | E | 453 | TYR | 0 | -0.013 | -0.014 | 32.447 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | E | 454 | ARG | 1 | 0.807 | 0.879 | 33.667 | 9.226 | 9.226 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | E | 455 | LEU | 0 | -0.002 | 0.007 | 36.400 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | E | 456 | PHE | 0 | 0.010 | -0.011 | 39.905 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | E | 457 | ARG | 1 | 0.811 | 0.882 | 34.390 | 8.769 | 8.769 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | E | 458 | LYS | 1 | 0.908 | 0.955 | 40.190 | 6.990 | 6.990 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | E | 459 | SER | 0 | 0.008 | 0.007 | 39.084 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | E | 460 | ASN | 0 | 0.005 | -0.007 | 36.819 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | E | 461 | LEU | 0 | -0.083 | -0.014 | 30.866 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | E | 462 | LYS | 1 | 0.864 | 0.911 | 31.232 | 9.451 | 9.451 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | E | 463 | PRO | 0 | 0.017 | -0.015 | 28.042 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | E | 464 | PHE | 0 | -0.017 | -0.008 | 22.777 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | E | 465 | GLU | -1 | -0.773 | -0.848 | 25.883 | -9.695 | -9.695 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | E | 466 | ARG | 1 | 0.857 | 0.906 | 24.679 | 12.351 | 12.351 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | E | 467 | ASP | -1 | -0.760 | -0.837 | 28.350 | -9.036 | -9.036 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | E | 468 | ILE | 0 | 0.018 | 0.001 | 28.597 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | E | 469 | SER | 0 | -0.024 | -0.013 | 31.902 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | E | 470 | THR | 0 | 0.010 | -0.006 | 35.491 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | E | 471 | GLU | -1 | -0.908 | -0.949 | 38.175 | -7.578 | -7.578 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | E | 472 | ILE | 0 | -0.026 | -0.010 | 41.185 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | E | 473 | TYR | 0 | -0.020 | -0.016 | 42.946 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | E | 474 | GLN | 0 | 0.023 | 0.010 | 44.748 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | E | 475 | ALA | 0 | -0.019 | -0.013 | 47.996 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | E | 476 | GLY | 0 | 0.030 | 0.014 | 49.649 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | E | 477 | SER | 0 | 0.002 | -0.009 | 52.779 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | E | 478 | THR | 0 | -0.002 | 0.013 | 54.641 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | E | 479 | PRO | 0 | 0.001 | -0.006 | 51.653 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | E | 488 | CYS | 0 | -0.004 | 0.029 | 48.545 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | E | 481 | ASN | 0 | -0.021 | -0.012 | 49.167 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | E | 482 | GLY | 0 | 0.022 | 0.013 | 46.354 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | E | 483 | VAL | 0 | -0.036 | -0.008 | 47.002 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | E | 484 | GLU | -1 | -0.847 | -0.927 | 46.547 | -6.979 | -6.979 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | E | 485 | GLY | 0 | 0.007 | -0.018 | 49.061 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | E | 486 | PHE | 0 | -0.014 | -0.005 | 51.782 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | E | 487 | ASN | 0 | -0.052 | -0.036 | 51.663 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | E | 489 | TYR | 0 | 0.060 | 0.030 | 45.631 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | E | 490 | PHE | 0 | 0.063 | 0.022 | 38.813 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | E | 491 | PRO | 0 | -0.053 | -0.013 | 38.852 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | E | 492 | LEU | 0 | -0.028 | -0.012 | 34.814 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | E | 493 | GLN | 0 | 0.032 | 0.014 | 38.024 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | E | 494 | SER | 0 | 0.010 | -0.006 | 36.845 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | E | 495 | TYR | 0 | -0.043 | -0.039 | 32.618 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | E | 496 | GLY | 0 | 0.016 | 0.005 | 36.989 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | E | 497 | PHE | 0 | -0.001 | -0.001 | 32.212 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | E | 498 | GLN | 0 | 0.036 | 0.024 | 36.615 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | E | 499 | PRO | 0 | -0.001 | -0.004 | 36.403 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | E | 500 | THR | 0 | 0.022 | 0.016 | 37.795 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | E | 501 | ASN | 0 | 0.001 | 0.020 | 38.358 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | E | 502 | GLY | 0 | 0.083 | 0.045 | 39.485 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | E | 503 | VAL | 0 | 0.031 | -0.002 | 35.799 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | E | 504 | GLY | 0 | -0.002 | 0.010 | 36.313 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | E | 505 | TYR | 0 | 0.007 | -0.025 | 37.106 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | E | 506 | GLN | 0 | -0.010 | 0.003 | 34.203 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | E | 507 | PRO | 0 | 0.006 | 0.011 | 30.287 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | E | 508 | TYR | 0 | -0.004 | -0.012 | 28.614 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | E | 509 | ARG | 1 | 0.766 | 0.874 | 22.283 | 13.090 | 13.090 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | E | 510 | VAL | 0 | -0.006 | -0.011 | 24.135 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | E | 511 | VAL | 0 | 0.010 | -0.010 | 17.447 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | E | 512 | VAL | 0 | -0.013 | -0.004 | 20.635 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | E | 513 | LEU | 0 | -0.019 | 0.002 | 14.946 | -0.673 | -0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | E | 514 | SER | 0 | 0.000 | -0.006 | 17.498 | 1.015 | 1.015 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | E | 515 | PHE | 0 | 0.004 | -0.002 | 14.354 | -1.070 | -1.070 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | E | 516 | GLU | -1 | -0.772 | -0.816 | 15.413 | -16.799 | -16.799 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | E | 517 | LEU | 0 | 0.000 | -0.012 | 15.785 | -1.107 | -1.107 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | E | 518 | LEU | 0 | 0.007 | 0.012 | 17.172 | 0.996 | 0.996 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | E | 519 | HIS | 0 | 0.019 | 0.005 | 18.154 | -0.605 | -0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | E | 520 | ALA | 0 | -0.016 | -0.009 | 15.930 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | E | 521 | PRO | 0 | 0.014 | -0.004 | 12.167 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | E | 522 | ALA | 0 | 0.014 | 0.014 | 11.084 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | E | 523 | THR | 0 | -0.057 | -0.027 | 6.919 | -2.390 | -2.390 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | E | 524 | VAL | 0 | -0.019 | -0.003 | 5.931 | -5.429 | -5.429 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | E | 526 | GLY | 0 | 0.041 | 0.028 | 7.900 | -3.252 | -3.252 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | E | 527 | PRO | 0 | -0.076 | -0.045 | 8.661 | -1.352 | -1.352 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | E | 528 | LYS | 0 | 0.018 | 0.030 | 9.635 | -1.991 | -1.991 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 0 | THR | 1 | 0.838 | 0.907 | 26.003 | 11.668 | 11.668 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 1 | GLN | 0 | 0.112 | 0.059 | 20.577 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 2 | MET | 0 | -0.007 | 0.022 | 25.174 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 3 | GLN | 0 | 0.007 | 0.004 | 28.621 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 4 | LEU | 0 | 0.012 | 0.008 | 32.330 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 5 | VAL | 0 | 0.001 | 0.005 | 35.330 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 6 | GLN | 0 | 0.039 | -0.012 | 38.454 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 7 | SER | 0 | 0.021 | 0.024 | 41.703 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 8 | GLY | 0 | 0.025 | 0.014 | 45.105 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 9 | THR | 0 | -0.051 | -0.030 | 47.985 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 10 | GLU | -1 | -0.872 | -0.935 | 50.501 | -6.242 | -6.242 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 11 | VAL | 0 | -0.038 | -0.031 | 53.057 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 12 | LYS | 1 | 0.869 | 0.937 | 54.784 | 5.856 | 5.856 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 13 | LYS | 1 | 0.859 | 0.917 | 58.200 | 5.369 | 5.369 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 14 | PRO | 0 | -0.003 | -0.015 | 60.367 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 15 | GLY | 0 | 0.016 | 0.020 | 60.733 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 16 | GLU | -1 | -0.832 | -0.898 | 58.371 | -5.539 | -5.539 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 17 | SER | 0 | 0.015 | 0.015 | 54.567 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 18 | LEU | 0 | -0.022 | -0.018 | 50.716 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 19 | LYS | 1 | 0.861 | 0.939 | 45.212 | 7.086 | 7.086 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 20 | ILE | 0 | 0.027 | 0.039 | 45.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 21 | SER | 0 | -0.001 | -0.021 | 42.076 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 96 | CYS | 0 | -0.057 | -0.011 | 37.841 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 23 | LYS | 1 | 0.919 | 0.982 | 35.745 | 8.569 | 8.569 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 24 | GLY | 0 | 0.014 | 0.005 | 32.567 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | H | 25 | SER | 0 | -0.043 | -0.027 | 31.955 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | H | 26 | GLY | 0 | 0.037 | -0.008 | 27.910 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | H | 27 | TYR | 0 | 0.019 | 0.015 | 23.078 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | H | 28 | GLY | 0 | 0.081 | 0.035 | 23.243 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | H | 29 | PHE | 0 | 0.022 | 0.009 | 23.821 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | H | 30 | ILE | 0 | 0.023 | 0.023 | 24.156 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | H | 31 | THR | 0 | 0.008 | 0.007 | 22.280 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | H | 32 | TYR | 0 | -0.070 | -0.035 | 25.523 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | H | 33 | TRP | 0 | -0.035 | -0.001 | 28.436 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | H | 34 | ILE | 0 | 0.004 | -0.007 | 31.785 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | H | 35 | GLY | 0 | -0.005 | -0.006 | 34.921 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | H | 36 | TRP | 0 | -0.010 | -0.008 | 37.287 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | H | 37 | VAL | 0 | -0.003 | -0.007 | 39.179 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | H | 38 | ARG | 1 | 0.828 | 0.879 | 42.108 | 6.485 | 6.485 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | H | 39 | GLN | 0 | 0.025 | 0.026 | 45.440 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | H | 40 | MET | 0 | 0.003 | 0.003 | 47.244 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | H | 41 | PRO | 0 | 0.016 | -0.006 | 50.704 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | H | 42 | GLY | 0 | 0.023 | 0.017 | 51.733 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | H | 43 | LYS | 1 | 0.878 | 0.948 | 50.325 | 5.929 | 5.929 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | H | 44 | GLY | 0 | 0.084 | 0.042 | 46.425 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | H | 45 | LEU | 0 | -0.043 | -0.009 | 40.369 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | H | 46 | GLU | -1 | -0.754 | -0.849 | 43.872 | -6.606 | -6.606 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | H | 47 | TRP | 0 | 0.023 | 0.009 | 36.953 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | H | 48 | MET | 0 | -0.049 | -0.013 | 41.765 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | H | 49 | GLY | 0 | 0.030 | -0.001 | 40.677 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | H | 50 | ILE | 0 | -0.056 | -0.028 | 33.239 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | H | 51 | ILE | 0 | 0.006 | 0.011 | 36.716 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | H | 52 | TYR | 0 | 0.016 | 0.011 | 27.659 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | H | 53 | PRO | 0 | 0.018 | -0.008 | 32.200 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | H | 54 | GLY | 0 | 0.025 | 0.015 | 30.891 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | H | 55 | ASP | -1 | -0.845 | -0.922 | 31.909 | -9.736 | -9.736 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | H | 56 | SER | 0 | -0.013 | -0.001 | 34.410 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | H | 57 | GLU | -1 | -0.759 | -0.842 | 33.442 | -9.388 | -9.388 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | H | 58 | THR | 0 | -0.033 | -0.030 | 36.474 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | H | 59 | ARG | 1 | 0.807 | 0.888 | 32.676 | 9.486 | 9.486 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | H | 60 | TYR | 0 | 0.064 | 0.033 | 39.863 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | H | 61 | SER | 0 | 0.017 | 0.016 | 42.634 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | H | 62 | PRO | 0 | 0.031 | -0.001 | 43.998 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | H | 63 | SER | 0 | -0.025 | -0.003 | 47.113 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | H | 64 | PHE | 0 | -0.005 | -0.019 | 46.246 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | H | 65 | GLN | 0 | 0.029 | 0.023 | 46.310 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | H | 66 | GLY | 0 | -0.014 | -0.007 | 48.286 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | H | 67 | GLN | 0 | -0.044 | -0.013 | 50.431 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | H | 68 | VAL | 0 | -0.031 | -0.012 | 46.684 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | H | 69 | THR | 0 | -0.051 | -0.024 | 46.075 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | H | 70 | ILE | 0 | 0.014 | 0.008 | 40.535 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | H | 71 | SER | 0 | 0.013 | 0.004 | 41.803 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | H | 72 | ALA | 0 | -0.007 | -0.018 | 37.201 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | H | 73 | ASP | -1 | -0.815 | -0.872 | 38.482 | -8.212 | -8.212 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | H | 74 | LYS | 1 | 0.868 | 0.921 | 32.413 | 9.614 | 9.614 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | H | 75 | SER | 0 | -0.062 | -0.044 | 33.493 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | H | 76 | ILE | 0 | -0.010 | -0.002 | 35.215 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | H | 77 | ASN | 0 | -0.017 | 0.000 | 30.239 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | H | 78 | THR | 0 | -0.019 | -0.014 | 34.120 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | H | 79 | ALA | 0 | 0.029 | 0.020 | 37.144 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | H | 80 | TYR | 0 | -0.009 | -0.035 | 38.854 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | H | 81 | LEU | 0 | 0.004 | 0.016 | 42.645 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | H | 82 | GLN | 0 | 0.002 | -0.009 | 45.206 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | H | 83 | TRP | 0 | 0.064 | 0.031 | 48.386 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | H | 84 | SER | 0 | -0.001 | -0.012 | 52.234 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | H | 85 | SER | 0 | -0.005 | -0.013 | 54.996 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | H | 86 | LEU | 0 | -0.039 | 0.003 | 53.631 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | H | 87 | LYS | 1 | 0.895 | 0.931 | 54.974 | 6.012 | 6.012 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | H | 88 | ALA | 0 | 0.074 | 0.027 | 57.623 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | H | 89 | SER | 0 | -0.016 | -0.017 | 56.309 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | H | 90 | ASP | -1 | -0.798 | -0.882 | 53.365 | -6.046 | -6.046 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | H | 91 | THR | 0 | -0.016 | 0.012 | 52.889 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | H | 92 | ALA | 0 | -0.021 | -0.012 | 49.807 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | H | 93 | ILE | 0 | -0.027 | 0.007 | 45.892 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | H | 94 | TYR | 0 | -0.003 | -0.039 | 45.271 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | H | 95 | TYR | 0 | 0.039 | 0.022 | 40.262 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | H | 97 | ALA | 0 | 0.040 | 0.009 | 35.140 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | H | 98 | GLY | 0 | -0.003 | -0.007 | 32.119 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | H | 99 | GLY | 0 | 0.060 | 0.028 | 28.597 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | H | 100 | SER | 0 | 0.010 | 0.028 | 24.161 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | H | 101 | GLY | 0 | 0.046 | 0.036 | 25.081 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | H | 102 | ILE | 0 | -0.057 | -0.017 | 26.692 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | H | 103 | SER | 0 | -0.001 | -0.017 | 27.960 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | H | 104 | THR | 0 | -0.040 | -0.029 | 25.161 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | H | 105 | PRO | 0 | 0.018 | 0.003 | 26.500 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | H | 106 | MET | 0 | -0.014 | 0.004 | 29.041 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | H | 107 | ASP | -1 | -0.810 | -0.909 | 26.457 | -11.485 | -11.485 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | H | 108 | VAL | 0 | -0.051 | -0.007 | 29.793 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | H | 109 | TRP | 0 | 0.023 | -0.014 | 31.842 | 0.341 | 0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | H | 110 | GLY | 0 | 0.030 | 0.027 | 35.685 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | H | 111 | GLN | 0 | -0.067 | -0.049 | 38.515 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | H | 112 | GLY | 0 | 0.018 | 0.015 | 41.416 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | H | 113 | THR | 0 | -0.043 | -0.023 | 43.691 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | H | 114 | THR | 0 | -0.020 | -0.010 | 46.604 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | H | 115 | VAL | 0 | 0.030 | 0.012 | 49.834 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | H | 116 | THR | 0 | 0.004 | -0.004 | 52.406 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | H | 117 | VAL | 0 | -0.021 | -0.003 | 55.998 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | H | 118 | ALA | 0 | 0.025 | 0.014 | 58.602 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | H | 119 | SER | 0 | -0.005 | 0.015 | 61.988 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | H | 120 | THR | 0 | -0.041 | -0.047 | 63.707 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | H | 121 | LYS | 1 | 0.852 | 0.924 | 66.442 | 4.605 | 4.605 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | H | 122 | GLY | 0 | 0.060 | 0.033 | 67.936 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | H | 123 | PRO | 0 | -0.051 | -0.012 | 67.581 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | H | 124 | SER | 0 | -0.004 | 0.001 | 70.186 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | H | 125 | VAL | 0 | -0.002 | -0.001 | 70.426 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | H | 126 | PHE | 0 | 0.021 | 0.002 | 73.034 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | H | 127 | PRO | 0 | 0.023 | 0.015 | 74.078 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | H | 128 | LEU | 0 | -0.034 | -0.014 | 71.497 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | H | 129 | ALA | 0 | 0.038 | 0.017 | 75.156 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | H | 130 | PRO | 0 | 0.024 | 0.020 | 76.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | H | 131 | SER | 0 | 0.020 | 0.005 | 77.866 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | H | 132 | SER | 0 | 0.024 | 0.003 | 80.225 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | H | 133 | LYS | 1 | 0.929 | 0.957 | 79.473 | 4.023 | 4.023 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | H | 134 | SER | 0 | -0.004 | 0.001 | 76.955 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | H | 135 | THR | 0 | 0.028 | 0.011 | 79.314 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | H | 136 | SER | 0 | -0.027 | -0.026 | 80.931 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | H | 137 | GLY | 0 | 0.004 | 0.028 | 80.067 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | H | 138 | GLY | 0 | 0.015 | 0.013 | 76.010 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | H | 139 | THR | 0 | -0.018 | -0.006 | 70.904 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | H | 140 | ALA | 0 | 0.001 | 0.003 | 74.122 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | H | 141 | ALA | 0 | -0.005 | 0.004 | 71.270 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | H | 142 | LEU | 0 | -0.008 | 0.003 | 71.757 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | H | 143 | GLY | 0 | 0.053 | 0.007 | 70.524 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | H | 200 | CYS | 0 | -0.079 | -0.005 | 68.703 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | H | 145 | LEU | 0 | 0.024 | 0.033 | 69.524 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | H | 146 | VAL | 0 | -0.018 | -0.014 | 66.700 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | H | 147 | LYS | 1 | 0.895 | 0.913 | 68.373 | 4.360 | 4.360 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | H | 148 | ASP | -1 | -0.811 | -0.878 | 70.065 | -4.437 | -4.437 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | H | 149 | TYR | 0 | -0.018 | -0.027 | 62.585 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | H | 150 | PHE | 0 | 0.030 | 0.021 | 62.084 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | H | 151 | PRO | 0 | 0.013 | 0.011 | 60.080 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | H | 152 | GLU | -1 | -0.778 | -0.873 | 58.430 | -5.344 | -5.344 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | H | 153 | PRO | 0 | -0.050 | -0.024 | 56.577 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | H | 154 | VAL | 0 | 0.004 | -0.007 | 59.419 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | H | 155 | THR | 0 | -0.044 | -0.015 | 58.465 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | H | 156 | VAL | 0 | 0.000 | -0.010 | 61.202 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | H | 157 | SER | 0 | -0.028 | -0.001 | 62.166 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | H | 158 | TRP | 0 | 0.055 | 0.022 | 63.901 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | H | 159 | ASN | 0 | -0.002 | -0.019 | 66.037 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | H | 160 | SER | 0 | -0.011 | -0.013 | 65.308 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | H | 161 | GLY | 0 | -0.006 | 0.004 | 62.519 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | H | 162 | ALA | 0 | -0.045 | -0.013 | 62.513 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | H | 163 | LEU | 0 | -0.028 | -0.011 | 64.940 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | H | 164 | THR | 0 | 0.023 | 0.000 | 59.468 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | H | 165 | SER | 0 | -0.016 | -0.009 | 61.424 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | H | 166 | GLY | 0 | 0.057 | 0.023 | 62.178 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | H | 167 | VAL | 0 | -0.033 | -0.013 | 62.241 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | H | 168 | HIS | 0 | -0.011 | 0.000 | 60.382 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | H | 169 | THR | 0 | 0.000 | -0.004 | 60.858 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | H | 170 | PHE | 0 | -0.026 | 0.000 | 60.580 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | H | 171 | PRO | 0 | 0.014 | 0.007 | 57.817 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | H | 172 | ALA | 0 | 0.012 | 0.030 | 60.017 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | H | 173 | VAL | 0 | -0.016 | -0.004 | 61.288 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | H | 174 | LEU | 0 | -0.035 | -0.014 | 62.605 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | H | 175 | GLN | 0 | 0.011 | 0.004 | 64.863 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | H | 176 | SER | 0 | 0.006 | -0.008 | 68.267 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | H | 177 | SER | 0 | 0.000 | 0.000 | 70.339 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | H | 178 | GLY | 0 | 0.011 | 0.009 | 67.118 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | H | 179 | LEU | 0 | -0.050 | -0.014 | 66.625 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | H | 180 | TYR | 0 | 0.009 | 0.001 | 59.825 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | H | 181 | SER | 0 | -0.009 | -0.005 | 65.991 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | H | 182 | LEU | 0 | 0.014 | 0.019 | 62.334 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | H | 183 | SER | 0 | 0.034 | 0.012 | 65.803 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | H | 184 | SER | 0 | -0.025 | -0.016 | 64.398 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | H | 185 | VAL | 0 | 0.028 | 0.001 | 66.037 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | H | 186 | VAL | 0 | 0.015 | 0.011 | 66.115 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | H | 187 | THR | 0 | -0.027 | -0.004 | 67.479 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | H | 188 | VAL | 0 | 0.014 | 0.007 | 68.661 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | H | 189 | PRO | 0 | 0.057 | 0.014 | 70.815 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | H | 190 | SER | 0 | -0.009 | -0.004 | 73.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | H | 191 | SER | 0 | 0.010 | 0.011 | 77.256 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | H | 192 | SER | 0 | -0.012 | -0.034 | 74.635 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | H | 193 | LEU | 0 | -0.032 | -0.015 | 76.144 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | H | 194 | GLY | 0 | 0.009 | 0.023 | 78.803 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | H | 195 | THR | 0 | -0.046 | -0.028 | 78.584 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | H | 196 | GLN | 0 | -0.001 | 0.012 | 71.336 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | H | 197 | THR | 0 | -0.006 | 0.003 | 74.890 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | H | 198 | TYR | 0 | -0.002 | 0.000 | 71.050 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | H | 199 | ILE | 0 | 0.018 | 0.001 | 71.021 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | H | 201 | ASN | 0 | -0.025 | -0.034 | 66.227 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | H | 202 | VAL | 0 | 0.034 | 0.014 | 65.799 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | H | 203 | ASN | 0 | -0.004 | -0.010 | 62.803 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | H | 204 | HIS | 0 | 0.029 | 0.029 | 63.350 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | H | 205 | LYS | 1 | 0.993 | 0.987 | 56.018 | 5.779 | 5.779 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | H | 206 | PRO | 0 | -0.001 | 0.003 | 60.437 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | H | 207 | SER | 0 | 0.003 | -0.014 | 62.729 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | H | 208 | ASN | 0 | -0.036 | -0.012 | 64.952 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | H | 209 | THR | 0 | 0.011 | 0.006 | 66.149 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | H | 210 | LYS | 1 | 0.848 | 0.898 | 66.534 | 4.665 | 4.665 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | H | 211 | VAL | 0 | -0.017 | -0.004 | 68.537 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | H | 212 | ASP | -1 | -0.793 | -0.862 | 69.769 | -4.736 | -4.736 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | H | 213 | LYS | 1 | 0.814 | 0.875 | 71.975 | 4.328 | 4.328 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | H | 214 | LYS | 1 | 0.882 | 0.946 | 73.689 | 4.057 | 4.057 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | H | 215 | VAL | 0 | -0.023 | -0.017 | 73.480 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | H | 216 | GLU | -1 | -0.865 | -0.942 | 76.515 | -4.031 | -4.031 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | H | 217 | PRO | 0 | -0.017 | -0.009 | 79.327 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | H | 218 | LYS | 1 | 0.842 | 0.907 | 81.469 | 3.803 | 3.803 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | H | 219 | SER | -1 | -0.906 | -0.940 | 84.154 | -3.657 | -3.657 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 1 | ASP | 0 | -0.054 | -0.039 | 40.914 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 2 | ILE | 0 | 0.044 | 0.031 | 36.663 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 3 | GLN | 0 | 0.007 | 0.015 | 40.861 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 4 | LEU | 0 | 0.004 | -0.009 | 38.006 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 5 | THR | 0 | -0.006 | 0.001 | 42.242 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 6 | GLN | 0 | -0.005 | -0.028 | 41.707 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 7 | SER | 0 | 0.001 | 0.025 | 44.106 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 8 | PRO | 0 | 0.032 | 0.009 | 44.590 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 9 | ASP | -1 | -0.801 | -0.897 | 46.756 | -6.453 | -6.453 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 10 | SER | 0 | -0.045 | -0.020 | 48.784 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 11 | LEU | 0 | 0.003 | 0.004 | 44.441 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 12 | ALA | 0 | 0.055 | 0.042 | 48.293 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 13 | VAL | 0 | -0.014 | -0.012 | 45.070 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 14 | SER | 0 | 0.052 | 0.023 | 48.338 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 15 | LEU | 0 | 0.034 | 0.010 | 46.176 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 16 | GLY | 0 | -0.017 | -0.005 | 43.479 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | L | 17 | GLU | -1 | -0.897 | -0.947 | 43.653 | -6.724 | -6.724 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | L | 18 | ARG | 1 | 0.902 | 0.956 | 37.310 | 7.661 | 7.661 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | L | 19 | ALA | 0 | 0.005 | 0.010 | 41.653 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | L | 20 | THR | 0 | -0.041 | -0.030 | 39.905 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | L | 21 | ILE | 0 | -0.013 | 0.002 | 40.258 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | L | 22 | ASN | 0 | 0.027 | 0.029 | 39.767 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | L | 94 | CYS | 0 | -0.057 | -0.019 | 36.985 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | L | 24 | LYS | 1 | 0.894 | 0.939 | 39.436 | 7.107 | 7.107 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | L | 25 | SER | 0 | 0.002 | -0.020 | 37.932 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | L | 26 | SER | 0 | -0.013 | -0.003 | 40.307 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | L | 27 | GLN | 0 | -0.023 | -0.020 | 36.438 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | L | 28 | SER | 0 | 0.019 | 0.023 | 34.226 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | L | 29 | VAL | 0 | 0.026 | 0.014 | 32.577 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | L | 30 | LEU | 0 | -0.031 | 0.001 | 27.973 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | L | 31 | TYR | 0 | -0.032 | -0.020 | 25.887 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | L | 32 | SER | 0 | -0.010 | -0.012 | 26.308 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | L | 33 | SER | 0 | -0.028 | 0.015 | 22.206 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | L | 34 | ILE | 0 | 0.012 | -0.004 | 19.196 | -0.785 | -0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | L | 35 | ASN | 0 | -0.002 | 0.007 | 21.966 | 0.700 | 0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | L | 36 | LYS | 1 | 0.873 | 0.939 | 22.760 | 12.170 | 12.170 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | L | 37 | ASN | 0 | 0.040 | 0.012 | 25.690 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | L | 38 | TYR | 0 | -0.077 | -0.047 | 24.235 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | L | 39 | LEU | 0 | -0.019 | -0.004 | 29.850 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | L | 40 | ALA | 0 | -0.003 | -0.007 | 30.690 | -0.365 | -0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | L | 41 | TRP | 0 | 0.013 | 0.001 | 32.256 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | L | 42 | TYR | 0 | -0.013 | -0.027 | 32.543 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | L | 43 | GLN | 0 | 0.023 | 0.014 | 36.256 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | L | 44 | GLN | 0 | -0.031 | -0.024 | 38.646 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | L | 45 | LYS | 1 | 0.898 | 0.952 | 39.988 | 7.861 | 7.861 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | L | 46 | PRO | 0 | 0.060 | 0.013 | 44.159 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | L | 47 | GLY | 0 | -0.008 | 0.000 | 46.589 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | L | 48 | GLN | 0 | -0.022 | -0.001 | 41.401 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | L | 49 | PRO | 0 | 0.030 | 0.020 | 38.592 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | L | 50 | PRO | 0 | -0.040 | -0.022 | 37.671 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | L | 51 | LYS | 1 | 0.872 | 0.961 | 30.807 | 9.625 | 9.625 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | L | 52 | LEU | 0 | -0.010 | 0.003 | 28.633 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | L | 53 | LEU | 0 | -0.045 | -0.030 | 31.785 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | L | 54 | ILE | 0 | 0.001 | -0.001 | 29.058 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | L | 55 | TYR | 0 | 0.052 | 0.028 | 22.016 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | L | 56 | TRP | 0 | 0.004 | 0.002 | 20.067 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | L | 57 | ALA | 0 | 0.039 | 0.022 | 26.970 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | L | 58 | SER | 0 | -0.044 | -0.024 | 26.157 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | L | 59 | THR | 0 | -0.019 | -0.016 | 22.551 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | L | 60 | ARG | 1 | 0.823 | 0.908 | 25.708 | 10.671 | 10.671 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | L | 61 | GLU | -1 | -0.794 | -0.860 | 25.298 | -12.430 | -12.430 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | L | 62 | SER | 0 | -0.016 | -0.039 | 25.047 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | L | 63 | GLY | 0 | 0.012 | -0.004 | 26.784 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | L | 64 | VAL | 0 | -0.053 | -0.017 | 29.405 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | L | 65 | PRO | 0 | 0.032 | 0.013 | 30.157 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | L | 66 | ASP | -1 | -0.823 | -0.918 | 28.287 | -10.456 | -10.456 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | L | 67 | ARG | 1 | 0.750 | 0.845 | 31.122 | 8.101 | 8.101 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | L | 68 | PHE | 0 | 0.001 | 0.013 | 32.794 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | L | 69 | SER | 0 | -0.006 | -0.008 | 31.205 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | L | 70 | GLY | 0 | 0.034 | 0.023 | 30.824 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | L | 71 | SER | 0 | -0.028 | -0.017 | 30.765 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | L | 72 | GLY | 0 | 0.071 | 0.032 | 32.550 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | L | 73 | SER | 0 | -0.014 | -0.028 | 31.642 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | L | 74 | GLY | 0 | 0.025 | 0.024 | 33.133 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | L | 75 | THR | 0 | -0.005 | -0.027 | 35.125 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | L | 76 | ASP | -1 | -0.853 | -0.878 | 37.314 | -7.320 | -7.320 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | L | 77 | PHE | 0 | -0.010 | -0.007 | 32.231 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | L | 78 | THR | 0 | -0.001 | -0.013 | 35.686 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | L | 79 | LEU | 0 | -0.038 | 0.000 | 34.727 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | L | 80 | THR | 0 | -0.003 | -0.024 | 35.664 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | L | 81 | ILE | 0 | -0.015 | 0.004 | 35.962 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | L | 82 | SER | 0 | -0.028 | -0.021 | 36.122 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | L | 83 | SER | 0 | 0.021 | 0.002 | 38.679 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | L | 84 | LEU | 0 | -0.020 | 0.013 | 40.789 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | L | 85 | GLN | 0 | 0.001 | -0.025 | 40.273 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | L | 86 | ALA | 0 | 0.047 | 0.014 | 43.035 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | L | 87 | GLU | -1 | -0.864 | -0.912 | 38.950 | -7.991 | -7.991 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | L | 88 | ASP | -1 | -0.772 | -0.852 | 39.443 | -8.039 | -8.039 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | L | 89 | VAL | 0 | 0.000 | 0.025 | 41.947 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | L | 90 | ALA | 0 | -0.024 | -0.016 | 42.267 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | L | 91 | VAL | 0 | -0.020 | -0.002 | 43.951 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | L | 92 | TYR | 0 | -0.015 | -0.027 | 38.243 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | L | 93 | TYR | 0 | 0.021 | 0.019 | 39.529 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | L | 95 | GLN | 0 | 0.021 | -0.008 | 33.773 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | L | 96 | GLN | 0 | 0.016 | 0.011 | 34.243 | -0.514 | -0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | L | 97 | TYR | 0 | 0.000 | -0.004 | 26.706 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | L | 98 | TYR | 0 | 0.042 | 0.024 | 31.090 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | L | 99 | SER | 0 | 0.025 | 0.018 | 31.816 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | L | 100 | THR | 0 | -0.046 | 0.005 | 34.459 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | L | 101 | PRO | 0 | 0.015 | 0.001 | 36.930 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | L | 102 | TYR | 0 | -0.005 | -0.006 | 31.261 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | L | 103 | THR | 0 | -0.037 | -0.033 | 37.744 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | L | 104 | PHE | 0 | 0.021 | -0.002 | 37.835 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | L | 105 | GLY | 0 | 0.017 | 0.021 | 40.726 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | L | 106 | GLN | 0 | -0.031 | -0.038 | 42.673 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | L | 107 | GLY | 0 | -0.009 | 0.000 | 43.816 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | L | 108 | THR | 0 | -0.036 | -0.026 | 43.524 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | L | 109 | LYS | 1 | 0.856 | 0.937 | 44.635 | 6.228 | 6.228 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | L | 110 | VAL | 0 | 0.001 | -0.005 | 43.163 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | L | 111 | GLU | -1 | -0.816 | -0.902 | 46.424 | -6.089 | -6.089 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | L | 112 | ILE | 0 | 0.024 | 0.008 | 46.426 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | L | 113 | LYS | 1 | 0.849 | 0.923 | 49.927 | 6.233 | 6.233 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | L | 114 | ARG | 1 | 0.842 | 0.911 | 52.592 | 5.374 | 5.374 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | L | 115 | THR | 0 | 0.022 | 0.005 | 55.437 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | L | 116 | VAL | 0 | 0.003 | 0.018 | 59.100 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | L | 117 | ALA | 0 | -0.016 | -0.010 | 62.166 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | L | 118 | ALA | 0 | 0.037 | 0.017 | 64.055 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | L | 119 | PRO | 0 | -0.022 | 0.013 | 66.978 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | L | 120 | SER | 0 | 0.001 | 0.000 | 67.917 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | L | 121 | VAL | 0 | -0.010 | -0.005 | 70.044 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | L | 122 | PHE | 0 | -0.024 | -0.026 | 70.366 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | L | 123 | ILE | 0 | -0.020 | -0.014 | 73.863 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | L | 124 | PHE | 0 | -0.033 | -0.010 | 72.152 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | L | 125 | PRO | 0 | 0.026 | 0.021 | 77.197 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | L | 126 | PRO | 0 | -0.001 | 0.006 | 78.776 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | L | 127 | SER | 0 | 0.036 | 0.017 | 78.968 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | L | 128 | ASP | -1 | -0.774 | -0.897 | 80.796 | -3.817 | -3.817 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | L | 129 | GLU | -1 | -0.902 | -0.936 | 78.961 | -4.117 | -4.117 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | L | 130 | GLN | 0 | 0.000 | -0.006 | 76.804 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | L | 131 | LEU | 0 | 0.043 | 0.041 | 80.455 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | L | 132 | LYS | 1 | 0.932 | 0.965 | 83.839 | 3.879 | 3.879 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | L | 133 | SER | 0 | -0.087 | -0.053 | 80.354 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | L | 134 | GLY | 0 | 0.028 | 0.015 | 82.152 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | L | 135 | THR | 0 | -0.050 | -0.017 | 78.241 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | L | 136 | ALA | 0 | 0.030 | 0.013 | 80.155 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | L | 137 | SER | 0 | -0.028 | -0.011 | 74.717 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | L | 138 | VAL | 0 | -0.018 | 0.007 | 76.827 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | L | 139 | VAL | 0 | 0.020 | 0.017 | 71.147 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | L | 200 | CYS | 0 | -0.078 | -0.030 | 72.416 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | L | 141 | LEU | 0 | -0.022 | 0.004 | 67.011 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | L | 142 | LEU | 0 | 0.015 | 0.005 | 67.179 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | L | 143 | ASN | 0 | 0.020 | -0.014 | 65.722 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | L | 144 | ASN | 0 | 0.014 | -0.003 | 61.334 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | L | 145 | PHE | 0 | -0.017 | 0.002 | 62.673 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | L | 146 | TYR | 0 | 0.058 | 0.023 | 54.341 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | L | 147 | PRO | 0 | 0.019 | 0.015 | 59.286 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | L | 148 | ARG | 1 | 0.996 | 0.993 | 57.421 | 5.472 | 5.472 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | L | 149 | GLU | -1 | -0.916 | -0.965 | 59.619 | -5.256 | -5.256 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | L | 150 | ALA | 0 | 0.015 | 0.003 | 62.975 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | L | 151 | LYS | 1 | 0.885 | 0.961 | 66.527 | 4.303 | 4.303 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | L | 152 | VAL | 0 | 0.041 | 0.013 | 68.952 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | L | 153 | GLN | 0 | -0.003 | -0.002 | 71.549 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | L | 154 | TRP | 0 | 0.017 | -0.005 | 72.922 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | L | 155 | LYS | 1 | 0.825 | 0.915 | 77.186 | 4.028 | 4.028 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | L | 156 | VAL | 0 | 0.017 | 0.009 | 80.972 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | L | 157 | ASP | -1 | -0.759 | -0.874 | 83.762 | -3.626 | -3.626 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | L | 158 | ASN | 0 | -0.057 | -0.036 | 84.654 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | L | 159 | ALA | 0 | 0.035 | 0.038 | 84.554 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | L | 160 | LEU | 0 | -0.020 | -0.019 | 79.151 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | L | 161 | GLN | 0 | -0.034 | -0.011 | 77.855 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | L | 162 | SER | 0 | -0.005 | -0.019 | 75.481 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | L | 163 | GLY | 0 | 0.002 | 0.008 | 73.460 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | L | 164 | ASN | 0 | 0.014 | 0.004 | 74.504 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | L | 165 | SER | 0 | 0.030 | 0.009 | 71.940 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | L | 166 | GLN | 0 | -0.080 | -0.042 | 66.889 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | L | 167 | GLU | -1 | -0.812 | -0.882 | 65.385 | -4.670 | -4.670 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | L | 168 | SER | 0 | -0.042 | -0.033 | 62.427 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | L | 169 | VAL | 0 | -0.039 | -0.027 | 59.460 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | L | 170 | THR | 0 | -0.021 | -0.011 | 58.553 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | L | 171 | GLU | -1 | -0.920 | -0.965 | 52.006 | -6.158 | -6.158 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | L | 172 | GLN | 0 | -0.047 | -0.013 | 51.904 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | L | 173 | ASP | -1 | -0.793 | -0.896 | 53.613 | -5.797 | -5.797 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | L | 174 | SER | 0 | -0.064 | -0.040 | 50.930 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | L | 175 | LYS | 1 | 0.885 | 0.941 | 51.956 | 5.784 | 5.784 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | L | 176 | ASP | -1 | -0.771 | -0.853 | 54.624 | -5.398 | -5.398 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | L | 177 | SER | 0 | -0.053 | -0.016 | 53.181 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | L | 178 | THR | 0 | -0.098 | -0.066 | 55.230 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | L | 179 | TYR | 0 | -0.021 | -0.035 | 54.385 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | L | 180 | SER | 0 | 0.059 | 0.032 | 59.686 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | L | 181 | LEU | 0 | -0.048 | -0.015 | 62.204 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | L | 182 | SER | 0 | -0.012 | -0.010 | 64.822 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | L | 183 | SER | 0 | 0.007 | -0.011 | 67.244 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | L | 184 | THR | 0 | -0.007 | -0.017 | 69.749 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | L | 185 | LEU | 0 | -0.008 | 0.011 | 72.025 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | L | 186 | THR | 0 | 0.002 | -0.013 | 74.121 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | L | 187 | LEU | 0 | -0.033 | -0.006 | 76.607 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | L | 188 | SER | 0 | 0.010 | -0.024 | 80.168 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | L | 189 | LYS | 1 | 0.868 | 0.907 | 82.856 | 3.687 | 3.687 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | L | 190 | ALA | 0 | 0.050 | 0.022 | 85.200 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | L | 191 | ASP | -1 | -0.832 | -0.885 | 84.311 | -3.756 | -3.756 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | L | 192 | TYR | 0 | 0.022 | 0.005 | 83.090 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | L | 193 | GLU | -1 | -0.853 | -0.918 | 85.368 | -3.641 | -3.641 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | L | 194 | LYS | 1 | 0.836 | 0.920 | 88.161 | 3.710 | 3.710 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | L | 195 | HIS | 0 | -0.010 | 0.011 | 86.349 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | L | 196 | LYS | 1 | 0.839 | 0.917 | 88.720 | 3.530 | 3.530 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | L | 197 | VAL | 0 | 0.012 | 0.007 | 85.020 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | L | 198 | TYR | 0 | 0.005 | -0.003 | 81.355 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | L | 199 | ALA | 0 | 0.009 | -0.017 | 80.534 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | L | 201 | GLU | -1 | -0.860 | -0.927 | 76.059 | -4.080 | -4.080 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | L | 202 | VAL | 0 | 0.032 | 0.005 | 70.284 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | L | 203 | THR | 0 | -0.021 | -0.011 | 71.133 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | L | 204 | HIS | 0 | 0.022 | -0.006 | 63.670 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | L | 205 | GLN | 0 | 0.051 | 0.026 | 62.668 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | L | 206 | GLY | 0 | -0.002 | -0.011 | 66.894 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | L | 207 | LEU | 0 | -0.078 | -0.033 | 67.702 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | L | 208 | SER | 0 | 0.001 | 0.000 | 71.414 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | L | 209 | SER | 0 | 0.035 | 0.011 | 73.690 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | L | 210 | PRO | 0 | -0.028 | -0.011 | 74.631 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | L | 211 | VAL | 0 | 0.006 | 0.018 | 74.234 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | L | 212 | THR | 0 | 0.023 | 0.006 | 75.753 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | L | 213 | LYS | 1 | 0.864 | 0.945 | 75.794 | 4.215 | 4.215 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | L | 214 | SER | 0 | 0.021 | -0.003 | 78.789 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | L | 215 | PHE | 0 | -0.048 | -0.027 | 79.881 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | L | 216 | ASN | 0 | -0.008 | -0.005 | 83.870 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | L | 217 | ARG | 1 | 0.795 | 0.886 | 86.459 | 3.618 | 3.618 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | L | 218 | GLY | 0 | -0.046 | -0.020 | 87.157 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | L | 219 | GLU | -2 | -1.712 | -1.826 | 87.029 | -7.241 | -7.241 | 0.000 | 0.000 | 0.000 | 0.000 |