FMODB ID: 2KQ6R
Calculation Name: 7C01-AHL-Xray184
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 7C01
Chain ID: AHL
UniProt ID: P0DTC2
Base Structure: X-ray
Registration Date: 2020-12-21
Reference: C. Watanabe, T. Honma et al., SARS-CoV-2 spike protein and antibody molecule recognition by FMO-based interaction energy analysis, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
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 | 620 |
LigandCharge | |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12723106.04407 |
---|---|
FMO2-HF: Nuclear repulsion | 12481656.278315 |
FMO2-HF: Total energy | -241449.765755 |
FMO2-MP2: Total energy | -242151.826051 |
3D Structure
Ligand structure
Ligand Interaction
SARS-CoV-2 S-protein and antibody binding energy (frag 1-191 : frag 192-620)
"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. |
-478.6395 | -426.0507 | 222.0327 | -107.9394 | -166.6821 | 0.0761 |
Interactive mode: IFIE and PIEDA for fragment #1(A:333:THR )
Summations of interaction energy for
fragment #1(A:333:THR )
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. |
-0.696 | 3.369 | 0.971 | -1.911 | -3.125 | 0.013 |
Interaction energy analysis for fragmet #1(A:333:THR )
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 | 335 | LEU | 0 | 0.066 | 0.034 | 2.806 | 0.159 | 2.944 | 0.046 | -1.190 | -1.642 | 0.006 |
4 | A | 361 | CYS | 0 | -0.072 | -0.009 | 4.872 | -0.241 | -0.166 | -0.002 | -0.007 | -0.065 | 0.000 |
5 | A | 337 | PRO | 0 | 0.057 | 0.038 | 8.426 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 338 | PHE | 0 | 0.024 | -0.013 | 10.947 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 339 | GLY | 0 | 0.007 | 0.004 | 12.505 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 340 | GLU | -1 | -0.851 | -0.930 | 14.365 | -0.627 | -0.627 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 341 | VAL | 0 | -0.032 | -0.011 | 16.087 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 342 | PHE | 0 | 0.013 | -0.003 | 15.922 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 343 | ASN | 0 | -0.018 | -0.009 | 17.751 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 344 | ALA | 0 | 0.028 | 0.040 | 19.615 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 345 | THR | 0 | 0.025 | -0.005 | 21.489 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 346 | ARG | 1 | 0.894 | 0.941 | 24.834 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 347 | PHE | 0 | 0.050 | 0.027 | 22.067 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 348 | ALA | 0 | -0.009 | 0.009 | 26.833 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 349 | SER | 0 | 0.036 | 0.004 | 28.890 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 350 | VAL | 0 | 0.004 | 0.011 | 30.966 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 351 | TYR | 0 | 0.033 | 0.008 | 31.964 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 352 | ALA | 0 | -0.054 | -0.013 | 32.035 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 353 | TRP | 0 | -0.044 | 0.005 | 25.660 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 354 | ASN | 0 | -0.002 | 0.002 | 23.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 355 | ARG | 1 | 0.862 | 0.913 | 21.962 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 356 | LYS | 1 | 0.842 | 0.928 | 15.568 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 357 | ARG | 1 | 0.904 | 0.947 | 15.299 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 358 | ILE | 0 | -0.039 | -0.016 | 11.694 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 359 | SER | 0 | 0.018 | -0.007 | 11.751 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 360 | ASN | 0 | -0.012 | -0.009 | 8.444 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 362 | VAL | 0 | -0.008 | 0.008 | 2.736 | -1.005 | 0.200 | 0.927 | -0.714 | -1.418 | 0.007 |
30 | A | 363 | ALA | 0 | 0.029 | 0.005 | 5.653 | -0.594 | -0.594 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 364 | ASP | -1 | -0.777 | -0.852 | 7.643 | 0.943 | 0.943 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 365 | TYR | 0 | 0.048 | -0.012 | 9.123 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 366 | SER | 0 | -0.029 | -0.023 | 12.109 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 367 | VAL | 0 | -0.016 | -0.014 | 10.590 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 368 | LEU | 0 | -0.052 | -0.014 | 13.640 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 369 | TYR | 0 | 0.005 | -0.002 | 16.080 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 370 | ASN | 0 | -0.030 | -0.019 | 15.417 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 371 | SER | 0 | 0.028 | 0.033 | 18.206 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 372 | ALA | 0 | -0.033 | -0.017 | 20.120 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 373 | SER | 0 | 0.022 | -0.003 | 21.176 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 374 | PHE | 0 | -0.074 | -0.030 | 18.630 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 375 | SER | 0 | 0.027 | 0.014 | 24.349 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 376 | THR | 0 | -0.109 | -0.060 | 26.484 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 377 | PHE | 0 | 0.088 | 0.030 | 18.029 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 378 | LYS | 1 | 0.933 | 0.981 | 24.178 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 432 | CYS | 0 | -0.080 | -0.012 | 20.063 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 380 | TYR | 0 | 0.027 | 0.003 | 24.080 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 381 | GLY | 0 | 0.055 | 0.049 | 24.527 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 382 | VAL | 0 | -0.014 | -0.015 | 18.981 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 383 | SER | 0 | -0.011 | -0.015 | 21.404 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 384 | PRO | 0 | -0.001 | -0.004 | 20.021 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 385 | THR | 0 | 0.009 | -0.015 | 18.822 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 386 | LYS | 1 | 0.784 | 0.890 | 17.590 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 387 | LEU | 0 | 0.084 | 0.039 | 15.567 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 388 | ASN | 0 | -0.097 | -0.051 | 10.778 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 389 | ASP | -1 | -0.829 | -0.898 | 11.556 | 0.763 | 0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 390 | LEU | 0 | -0.008 | 0.010 | 13.843 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 525 | CYS | 0 | -0.067 | -0.037 | 8.142 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 392 | PHE | 0 | 0.051 | 0.023 | 13.008 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 393 | THR | 0 | -0.011 | 0.000 | 13.428 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 394 | ASN | 0 | -0.045 | -0.036 | 14.346 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 395 | VAL | 0 | 0.029 | 0.030 | 14.079 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 396 | TYR | 0 | -0.104 | -0.070 | 16.090 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 397 | ALA | 0 | 0.025 | 0.012 | 17.228 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 398 | ASP | -1 | -0.712 | -0.807 | 19.343 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 399 | SER | 0 | -0.006 | 0.006 | 22.149 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 400 | PHE | 0 | -0.023 | -0.018 | 24.079 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 401 | VAL | 0 | 0.008 | 0.005 | 27.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 402 | ILE | 0 | -0.029 | -0.002 | 30.146 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 403 | ARG | 1 | 0.826 | 0.909 | 32.793 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 404 | GLY | 0 | 0.045 | 0.024 | 33.714 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 405 | ASP | -1 | -0.852 | -0.920 | 34.783 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 406 | GLU | -1 | -0.852 | -0.935 | 35.468 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 407 | VAL | 0 | 0.030 | 0.018 | 29.619 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 408 | ARG | 1 | 0.853 | 0.940 | 31.738 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 409 | GLN | 0 | -0.017 | -0.019 | 34.073 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 410 | ILE | 0 | -0.032 | 0.001 | 27.968 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 411 | ALA | 0 | 0.014 | -0.015 | 29.747 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 412 | PRO | 0 | 0.009 | 0.015 | 29.741 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 413 | GLY | 0 | 0.051 | 0.033 | 32.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 414 | GLN | 0 | -0.070 | -0.003 | 34.621 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 415 | THR | 0 | -0.006 | -0.013 | 36.995 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 416 | GLY | 0 | 0.004 | -0.016 | 39.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 417 | LYS | 1 | 0.882 | 0.944 | 39.559 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 418 | ILE | 0 | -0.021 | 0.007 | 33.705 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 419 | ALA | 0 | 0.042 | 0.029 | 34.898 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 420 | ASP | -1 | -0.800 | -0.881 | 35.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 421 | TYR | 0 | 0.016 | 0.006 | 38.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 422 | ASN | 0 | -0.041 | -0.014 | 34.375 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 423 | TYR | 0 | 0.002 | -0.050 | 25.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 424 | LYS | 1 | 0.929 | 0.995 | 32.233 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 425 | LEU | 0 | -0.008 | 0.000 | 26.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 426 | PRO | 0 | -0.028 | -0.017 | 28.555 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 427 | ASP | -1 | -0.884 | -0.960 | 31.231 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 428 | ASP | -1 | -0.947 | -0.968 | 30.222 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 429 | PHE | 0 | -0.048 | -0.020 | 23.678 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 430 | THR | 0 | 0.008 | -0.001 | 23.039 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 431 | GLY | 0 | 0.020 | -0.003 | 21.238 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 433 | VAL | 0 | 0.011 | 0.006 | 22.109 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 434 | ILE | 0 | -0.008 | -0.002 | 19.040 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 435 | ALA | 0 | 0.009 | 0.005 | 23.284 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 436 | TRP | 0 | 0.034 | 0.020 | 21.693 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 437 | ASN | 0 | -0.017 | 0.001 | 26.744 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 438 | SER | 0 | 0.010 | -0.025 | 28.015 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 439 | ASN | 0 | 0.023 | -0.004 | 29.759 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 440 | ASN | 0 | -0.018 | 0.002 | 28.478 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 441 | LEU | 0 | -0.002 | 0.007 | 26.548 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 442 | ASP | -1 | -0.759 | -0.807 | 29.735 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 443 | SER | 0 | -0.025 | -0.020 | 32.768 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 444 | LYS | 1 | 0.903 | 0.944 | 36.264 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 445 | VAL | 0 | 0.047 | 0.016 | 38.854 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 446 | GLY | 0 | -0.001 | 0.009 | 42.490 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 447 | GLY | 0 | -0.003 | 0.006 | 41.526 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 448 | ASN | 0 | -0.050 | -0.030 | 34.479 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 449 | TYR | 0 | 0.006 | 0.004 | 38.525 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 450 | ASN | 0 | 0.007 | 0.000 | 35.438 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 451 | TYR | 0 | -0.055 | -0.035 | 30.127 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 452 | LEU | 0 | -0.002 | -0.007 | 35.501 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 453 | TYR | 0 | 0.006 | -0.009 | 35.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 454 | ARG | 1 | 0.791 | 0.870 | 37.799 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 455 | LEU | 0 | 0.004 | 0.007 | 39.836 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 456 | PHE | 0 | -0.020 | -0.011 | 43.262 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 457 | ARG | 1 | 0.814 | 0.878 | 38.481 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 458 | LYS | 1 | 0.879 | 0.959 | 44.355 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 459 | SER | 0 | 0.000 | 0.010 | 42.778 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 460 | ASN | 0 | 0.039 | 0.004 | 39.930 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 461 | LEU | 0 | -0.089 | -0.022 | 34.598 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 462 | LYS | 1 | 0.942 | 0.967 | 34.983 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 463 | PRO | 0 | 0.021 | -0.013 | 31.148 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 464 | PHE | 0 | -0.020 | -0.009 | 25.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 465 | GLU | -1 | -0.817 | -0.885 | 29.609 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 466 | ARG | 1 | 0.865 | 0.908 | 29.147 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 467 | ASP | -1 | -0.785 | -0.873 | 32.644 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 468 | ILE | 0 | 0.010 | 0.004 | 33.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 469 | SER | 0 | 0.011 | 0.016 | 36.668 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 470 | THR | 0 | 0.010 | -0.006 | 40.388 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 471 | GLU | -1 | -0.976 | -0.968 | 42.818 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 472 | ILE | 0 | -0.009 | -0.009 | 46.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 473 | TYR | 0 | -0.025 | -0.026 | 46.963 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 474 | GLN | 0 | 0.016 | -0.010 | 49.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 475 | ALA | 0 | -0.017 | -0.006 | 52.575 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 476 | GLY | 0 | 0.055 | 0.020 | 53.813 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 477 | SER | 0 | 0.008 | 0.007 | 56.562 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 478 | THR | 0 | -0.027 | -0.004 | 59.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 479 | PRO | 0 | 0.017 | 0.015 | 56.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 488 | CYS | 0 | 0.063 | 0.034 | 53.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 481 | ASN | 0 | -0.033 | -0.018 | 54.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 482 | GLY | 0 | 0.005 | 0.008 | 51.226 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 483 | VAL | 0 | -0.013 | -0.001 | 52.147 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 484 | GLU | -1 | -0.864 | -0.937 | 50.051 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 485 | GLY | 0 | 0.003 | -0.011 | 53.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 486 | PHE | 0 | -0.029 | -0.013 | 55.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 487 | ASN | 0 | -0.027 | -0.019 | 55.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 489 | TYR | 0 | 0.055 | 0.028 | 50.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 490 | PHE | 0 | 0.073 | 0.035 | 43.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 491 | PRO | 0 | -0.040 | -0.005 | 43.187 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 492 | LEU | 0 | -0.018 | 0.003 | 38.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 493 | GLN | 0 | 0.059 | 0.040 | 41.539 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 494 | SER | 0 | -0.017 | -0.030 | 40.150 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 495 | TYR | 0 | -0.004 | -0.026 | 35.256 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 496 | GLY | 0 | 0.033 | 0.033 | 39.531 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 497 | PHE | 0 | -0.013 | -0.007 | 34.977 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 498 | GLN | 0 | 0.003 | -0.033 | 38.910 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 499 | PRO | 0 | 0.026 | 0.025 | 38.530 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 500 | THR | 0 | 0.018 | 0.006 | 39.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 501 | ASN | 0 | -0.032 | 0.015 | 39.923 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 502 | GLY | 0 | 0.060 | 0.029 | 40.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 503 | VAL | 0 | 0.039 | 0.008 | 35.824 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 504 | GLY | 0 | 0.073 | 0.047 | 36.804 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 505 | TYR | 0 | -0.081 | -0.067 | 37.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 506 | GLN | 0 | -0.006 | -0.005 | 35.222 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 507 | PRO | 0 | -0.034 | -0.005 | 32.321 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 508 | TYR | 0 | 0.028 | 0.008 | 29.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 509 | ARG | 1 | 0.771 | 0.882 | 24.720 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 510 | VAL | 0 | -0.008 | -0.012 | 25.451 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 511 | VAL | 0 | 0.007 | -0.017 | 19.038 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 512 | VAL | 0 | -0.032 | -0.015 | 22.332 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 513 | LEU | 0 | -0.003 | 0.007 | 16.177 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 514 | SER | 0 | -0.018 | -0.013 | 19.761 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 515 | PHE | 0 | 0.044 | 0.014 | 15.247 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 516 | GLU | -1 | -0.794 | -0.854 | 18.707 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 517 | LEU | 0 | 0.020 | -0.014 | 18.388 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 518 | LEU | 0 | -0.034 | -0.013 | 19.748 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 519 | HIS | 0 | 0.048 | 0.015 | 21.040 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 520 | ALA | 0 | -0.051 | -0.009 | 18.762 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 521 | PRO | 0 | 0.044 | 0.010 | 15.047 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 522 | ALA | 0 | 0.003 | 0.001 | 13.107 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 523 | THR | 0 | -0.031 | -0.021 | 10.514 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 524 | VAL | 0 | -0.029 | -0.015 | 8.574 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 526 | GLY | 0 | 0.015 | -0.005 | 6.778 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 527 | PRO | 0 | 0.018 | 0.023 | 5.437 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | H | 1 | GLU | -1 | -0.914 | -0.960 | 65.886 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | H | 2 | VAL | 0 | -0.047 | -0.036 | 61.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | H | 3 | GLN | 0 | -0.066 | -0.027 | 64.793 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | H | 4 | LEU | 0 | -0.006 | 0.001 | 60.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | H | 5 | VAL | 0 | 0.012 | 0.007 | 65.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | H | 6 | GLU | -1 | -0.806 | -0.928 | 64.502 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | H | 7 | SER | 0 | -0.037 | -0.036 | 67.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | H | 8 | GLY | 0 | 0.043 | 0.011 | 67.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | H | 9 | GLY | 0 | 0.007 | 0.010 | 69.005 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | H | 10 | GLY | 0 | 0.030 | 0.001 | 69.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | H | 11 | LEU | 0 | -0.065 | -0.016 | 71.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | H | 12 | VAL | 0 | -0.007 | 0.001 | 68.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | H | 13 | GLN | 0 | 0.051 | 0.031 | 71.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | H | 14 | PRO | 0 | -0.001 | -0.014 | 68.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | H | 15 | GLY | 0 | -0.010 | 0.002 | 65.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | H | 16 | GLY | 0 | -0.014 | 0.002 | 65.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | H | 17 | SER | 0 | -0.036 | -0.038 | 63.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | H | 18 | LEU | 0 | -0.029 | -0.006 | 64.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | H | 19 | ARG | 1 | 0.931 | 0.985 | 60.919 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | H | 20 | LEU | 0 | -0.007 | 0.016 | 62.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | H | 21 | SER | 0 | 0.004 | -0.019 | 62.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | H | 95 | CYS | 0 | -0.061 | 0.000 | 60.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | H | 23 | ALA | 0 | 0.030 | 0.032 | 62.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | H | 24 | ALA | 0 | 0.024 | 0.007 | 61.298 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | H | 25 | SER | 0 | 0.023 | 0.011 | 63.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | H | 26 | GLY | 0 | 0.098 | 0.058 | 63.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | H | 27 | PHE | 0 | -0.070 | -0.051 | 57.131 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | H | 28 | THR | 0 | 0.036 | 0.031 | 55.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | H | 29 | VAL | 0 | 0.021 | 0.017 | 55.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | H | 30 | SER | 0 | -0.061 | -0.044 | 52.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | H | 31 | SER | 0 | -0.037 | -0.010 | 50.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | H | 32 | ASN | 0 | -0.011 | -0.012 | 50.853 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | H | 33 | TYR | 0 | -0.006 | -0.002 | 45.027 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | H | 34 | MET | 0 | -0.013 | 0.022 | 51.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | H | 35 | SER | 0 | 0.003 | 0.004 | 53.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | H | 36 | TRP | 0 | 0.021 | 0.010 | 55.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | H | 37 | VAL | 0 | -0.018 | -0.021 | 57.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | H | 38 | ARG | 1 | 0.802 | 0.881 | 59.629 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | H | 39 | GLN | 0 | 0.048 | 0.023 | 62.419 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | H | 40 | ALA | 0 | 0.046 | 0.033 | 65.201 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | H | 41 | PRO | 0 | 0.008 | -0.007 | 67.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | H | 42 | GLY | 0 | -0.011 | -0.007 | 70.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | H | 43 | LYS | 1 | 0.885 | 0.944 | 65.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | H | 44 | GLY | 0 | 0.065 | 0.035 | 63.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | H | 45 | LEU | 0 | -0.054 | -0.020 | 60.987 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | H | 46 | GLU | -1 | -0.778 | -0.862 | 57.894 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | H | 47 | TRP | 0 | 0.007 | -0.002 | 49.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | H | 48 | VAL | 0 | 0.002 | 0.013 | 55.760 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | H | 49 | SER | 0 | 0.008 | -0.021 | 52.220 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | H | 50 | VAL | 0 | -0.009 | -0.003 | 49.110 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | H | 51 | ILE | 0 | -0.025 | -0.003 | 49.806 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | H | 52 | TYR | 0 | 0.019 | 0.001 | 43.211 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | H | 53 | SER | 0 | 0.019 | 0.001 | 46.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | H | 54 | GLY | 0 | 0.030 | 0.028 | 44.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | H | 55 | GLY | 0 | -0.008 | 0.000 | 45.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | H | 56 | SER | 0 | -0.060 | -0.056 | 42.449 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | H | 57 | THR | 0 | -0.028 | -0.007 | 45.508 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | H | 58 | PHE | 0 | 0.000 | -0.007 | 42.649 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | H | 59 | TYR | 0 | -0.006 | 0.002 | 48.361 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | H | 60 | ALA | 0 | 0.066 | 0.042 | 50.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | H | 61 | ASP | -1 | -0.868 | -0.948 | 49.353 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | H | 62 | SER | 0 | -0.068 | -0.026 | 52.157 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | H | 63 | VAL | 0 | -0.024 | -0.016 | 54.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | H | 64 | LYS | 1 | 0.984 | 1.001 | 46.564 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | H | 65 | GLY | 0 | -0.018 | -0.006 | 52.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | H | 66 | ARG | 1 | 0.725 | 0.843 | 53.338 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | H | 67 | PHE | 0 | 0.022 | -0.001 | 55.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | H | 68 | THR | 0 | -0.020 | -0.011 | 53.361 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | H | 69 | ILE | 0 | -0.016 | 0.014 | 52.406 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | H | 70 | SER | 0 | -0.008 | -0.015 | 53.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | H | 71 | ARG | 1 | 0.846 | 0.900 | 49.517 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | H | 72 | ASP | -1 | -0.824 | -0.887 | 55.999 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | H | 73 | ASN | 0 | 0.020 | 0.003 | 55.027 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | H | 74 | SER | 0 | -0.029 | -0.018 | 57.126 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | H | 75 | MET | 0 | -0.028 | -0.014 | 60.212 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | H | 76 | ASN | 0 | -0.023 | -0.002 | 59.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | H | 77 | THR | 0 | 0.005 | -0.010 | 60.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | H | 78 | LEU | 0 | -0.017 | 0.004 | 55.791 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | H | 79 | PHE | 0 | -0.020 | -0.035 | 58.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | H | 80 | LEU | 0 | 0.036 | 0.015 | 57.346 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | H | 81 | GLN | 0 | -0.047 | -0.038 | 58.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | H | 82 | MET | 0 | -0.016 | 0.006 | 58.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | H | 83 | ASN | 0 | 0.083 | 0.031 | 58.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | H | 84 | SER | 0 | 0.011 | -0.003 | 60.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | H | 85 | LEU | 0 | -0.032 | 0.001 | 62.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | H | 86 | ARG | 1 | 0.941 | 0.963 | 58.441 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | H | 87 | ALA | 0 | 0.056 | 0.028 | 65.533 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | H | 88 | GLU | -1 | -0.857 | -0.952 | 63.084 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | H | 89 | ASP | -1 | -0.767 | -0.829 | 61.826 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | H | 90 | THR | 0 | -0.015 | 0.009 | 64.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | H | 91 | ALA | 0 | -0.006 | -0.008 | 65.121 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | H | 92 | VAL | 0 | -0.030 | -0.013 | 67.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | H | 93 | TYR | 0 | -0.035 | -0.037 | 61.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | H | 94 | TYR | 0 | 0.005 | -0.002 | 62.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | H | 96 | ALA | 0 | 0.043 | 0.004 | 58.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | H | 97 | ARG | 1 | 0.761 | 0.840 | 55.104 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | H | 98 | VAL | 0 | -0.054 | -0.044 | 51.309 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | H | 99 | LEU | 0 | -0.014 | -0.004 | 52.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | H | 100 | PRO | 0 | -0.034 | -0.011 | 46.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | H | 101 | MET | 0 | 0.027 | 0.006 | 46.909 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | H | 102 | TYR | 0 | -0.034 | -0.031 | 47.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | H | 103 | GLY | 0 | 0.016 | 0.027 | 46.537 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | H | 104 | ASP | -1 | -0.811 | -0.894 | 47.489 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | H | 105 | TYR | 0 | 0.022 | 0.009 | 50.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | H | 106 | LEU | 0 | 0.026 | 0.024 | 54.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | H | 107 | ASP | -1 | -0.736 | -0.864 | 56.954 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | H | 108 | TYR | 0 | -0.042 | -0.026 | 59.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | H | 109 | TRP | 0 | 0.001 | -0.010 | 59.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | H | 110 | GLY | 0 | 0.061 | 0.035 | 63.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | H | 111 | GLN | 0 | -0.060 | -0.037 | 65.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | H | 112 | GLY | 0 | 0.027 | 0.027 | 67.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | H | 113 | THR | 0 | -0.080 | -0.032 | 67.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | H | 114 | LEU | 0 | -0.024 | -0.012 | 68.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | H | 115 | VAL | 0 | 0.002 | 0.009 | 66.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | H | 116 | THR | 0 | -0.036 | -0.030 | 69.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | H | 117 | VAL | 0 | 0.020 | 0.016 | 67.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | H | 118 | SER | 0 | -0.005 | -0.012 | 70.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | H | 119 | SER | 0 | 0.042 | 0.006 | 73.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | H | 120 | ALA | 0 | -0.041 | 0.005 | 75.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | H | 121 | SER | 0 | 0.018 | -0.002 | 77.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | H | 122 | THR | 0 | -0.032 | -0.023 | 79.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | H | 123 | LYS | 1 | 0.846 | 0.918 | 81.488 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | H | 124 | GLY | 0 | 0.055 | 0.041 | 84.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | H | 125 | PRO | 0 | -0.039 | -0.011 | 85.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | H | 126 | SER | 0 | -0.021 | -0.009 | 88.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | H | 127 | VAL | 0 | 0.001 | -0.002 | 90.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | H | 128 | PHE | 0 | 0.002 | -0.011 | 93.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | H | 129 | PRO | 0 | 0.029 | 0.021 | 95.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | H | 130 | LEU | 0 | -0.040 | -0.013 | 93.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | H | 131 | ALA | 0 | 0.047 | 0.011 | 98.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | H | 132 | PRO | 0 | 0.036 | 0.020 | 101.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | H | 133 | SER | 0 | 0.042 | 0.002 | 102.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | H | 134 | SER | 0 | -0.084 | -0.047 | 104.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | H | 135 | LYS | 1 | 0.995 | 0.998 | 106.735 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | H | 136 | SER | 0 | 0.085 | 0.056 | 106.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | H | 137 | THR | 0 | -0.064 | -0.016 | 103.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | H | 138 | SER | 0 | -0.042 | -0.037 | 105.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | H | 139 | GLY | 0 | 0.052 | 0.018 | 104.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | H | 140 | GLY | 0 | 0.019 | 0.023 | 103.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | H | 141 | THR | 0 | -0.038 | -0.006 | 98.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | H | 142 | ALA | 0 | -0.001 | -0.008 | 101.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | H | 143 | ALA | 0 | -0.010 | 0.002 | 96.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | H | 144 | LEU | 0 | 0.017 | 0.020 | 96.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | H | 145 | GLY | 0 | 0.056 | 0.004 | 94.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | H | 202 | CYS | 0 | -0.080 | -0.005 | 92.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | H | 147 | LEU | 0 | 0.006 | 0.008 | 91.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | H | 148 | VAL | 0 | -0.004 | 0.000 | 87.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | H | 149 | LYS | 1 | 0.877 | 0.926 | 88.184 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | H | 150 | ASP | -1 | -0.778 | -0.866 | 87.242 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | H | 151 | TYR | 0 | -0.003 | -0.026 | 81.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | H | 152 | PHE | 0 | 0.088 | 0.055 | 76.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | H | 153 | PRO | 0 | 0.004 | 0.005 | 76.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | H | 154 | GLU | -1 | -0.777 | -0.873 | 76.499 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | H | 155 | PRO | 0 | -0.016 | -0.012 | 75.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | H | 156 | VAL | 0 | 0.010 | -0.008 | 78.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | H | 157 | THR | 0 | -0.069 | -0.034 | 80.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | H | 158 | VAL | 0 | 0.042 | 0.000 | 83.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | H | 159 | SER | 0 | -0.043 | -0.004 | 86.426 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | H | 160 | TRP | 0 | 0.077 | 0.019 | 88.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | H | 161 | ASN | 0 | -0.002 | -0.017 | 91.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | H | 162 | SER | 0 | -0.018 | -0.020 | 90.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | H | 163 | GLY | 0 | -0.004 | -0.001 | 88.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | H | 164 | ALA | 0 | -0.044 | -0.009 | 89.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | H | 165 | LEU | 0 | -0.012 | -0.001 | 91.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | H | 166 | THR | 0 | 0.013 | -0.005 | 86.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | H | 167 | SER | 0 | -0.013 | -0.005 | 88.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | H | 168 | GLY | 0 | 0.045 | 0.016 | 89.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | H | 169 | VAL | 0 | -0.056 | -0.018 | 87.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | H | 170 | HIS | 0 | -0.004 | -0.001 | 87.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | H | 171 | THR | 0 | 0.015 | 0.003 | 84.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | H | 172 | PHE | 0 | -0.030 | -0.014 | 83.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | H | 173 | PRO | 0 | 0.015 | 0.006 | 79.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | H | 174 | ALA | 0 | 0.020 | 0.043 | 80.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | H | 175 | VAL | 0 | -0.022 | -0.002 | 80.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | H | 176 | LEU | 0 | -0.023 | -0.005 | 78.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | H | 177 | GLN | 0 | -0.015 | -0.012 | 81.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | H | 178 | SER | 0 | 0.006 | -0.007 | 83.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | H | 179 | SER | 0 | -0.009 | -0.008 | 84.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | H | 180 | GLY | 0 | 0.038 | 0.022 | 81.629 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | H | 181 | LEU | 0 | -0.090 | -0.034 | 81.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | H | 182 | TYR | 0 | 0.006 | -0.004 | 76.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | H | 183 | SER | 0 | 0.017 | 0.001 | 83.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | H | 184 | LEU | 0 | -0.026 | -0.006 | 83.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | H | 185 | SER | 0 | 0.010 | -0.001 | 86.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | H | 186 | SER | 0 | -0.030 | -0.020 | 87.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | H | 187 | VAL | 0 | 0.030 | 0.003 | 89.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | H | 188 | VAL | 0 | 0.030 | 0.022 | 91.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | H | 189 | THR | 0 | -0.054 | -0.019 | 93.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | H | 190 | VAL | 0 | 0.008 | 0.000 | 96.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | H | 191 | PRO | 0 | 0.058 | 0.024 | 98.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | H | 192 | SER | 0 | 0.016 | 0.005 | 102.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | H | 193 | SER | 0 | -0.037 | -0.036 | 105.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | H | 194 | SER | 0 | 0.003 | 0.003 | 102.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | H | 195 | LEU | 0 | -0.013 | 0.004 | 103.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | H | 196 | GLY | 0 | 0.038 | 0.034 | 105.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | H | 197 | THR | 0 | -0.022 | -0.016 | 105.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | H | 198 | GLN | 0 | -0.005 | 0.004 | 100.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | H | 199 | THR | 0 | -0.055 | -0.015 | 101.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | H | 200 | TYR | 0 | 0.043 | 0.005 | 97.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | H | 201 | ILE | 0 | -0.002 | -0.012 | 94.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | H | 203 | ASN | 0 | -0.032 | -0.027 | 89.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | H | 204 | VAL | 0 | 0.045 | 0.025 | 87.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | H | 205 | ASN | 0 | -0.051 | -0.034 | 83.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | H | 206 | HIS | 0 | 0.051 | 0.032 | 80.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | H | 207 | LYS | 1 | 0.985 | 0.990 | 78.836 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | H | 208 | PRO | 0 | -0.016 | 0.002 | 77.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | H | 209 | SER | 0 | -0.004 | -0.019 | 79.599 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | H | 210 | ASN | 0 | -0.065 | -0.023 | 81.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | H | 211 | THR | 0 | 0.030 | 0.019 | 84.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | H | 212 | LYS | 1 | 0.880 | 0.928 | 86.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | H | 213 | VAL | 0 | -0.019 | -0.012 | 88.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | H | 214 | ASP | -1 | -0.818 | -0.889 | 91.702 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | H | 215 | LYS | 1 | 0.840 | 0.899 | 94.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | H | 216 | ARG | 1 | 0.923 | 0.942 | 96.591 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | H | 217 | VAL | 0 | -0.041 | -0.013 | 97.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | H | 218 | GLU | -1 | -0.880 | -0.915 | 100.328 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | L | 1 | ASP | -1 | -0.908 | -0.945 | 46.737 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | L | 2 | ILE | 0 | -0.075 | -0.047 | 46.258 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 3 | VAL | 0 | -0.004 | -0.003 | 50.159 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 4 | MET | 0 | -0.027 | 0.000 | 53.349 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 5 | THR | 0 | -0.026 | -0.012 | 55.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 6 | GLN | 0 | 0.015 | -0.023 | 59.101 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 7 | SER | 0 | -0.075 | -0.006 | 61.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 8 | PRO | 0 | 0.097 | 0.049 | 64.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 9 | SER | 0 | 0.059 | 0.030 | 66.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 10 | SER | 0 | -0.037 | -0.014 | 68.247 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 11 | LEU | 0 | 0.004 | 0.008 | 69.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 12 | SER | 0 | 0.011 | -0.015 | 73.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 13 | ALA | 0 | -0.041 | -0.024 | 75.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 14 | SER | 0 | -0.032 | -0.014 | 77.070 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 15 | VAL | 0 | 0.003 | -0.010 | 78.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 16 | GLY | 0 | 0.002 | 0.014 | 77.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 17 | ASP | -1 | -0.802 | -0.865 | 75.795 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 18 | ARG | 1 | 0.926 | 0.968 | 66.106 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | L | 19 | VAL | 0 | -0.016 | -0.007 | 69.329 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | L | 20 | THR | 0 | -0.035 | -0.028 | 65.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | L | 21 | ILE | 0 | 0.006 | 0.016 | 63.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | L | 22 | THR | 0 | 0.017 | 0.019 | 60.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | L | 88 | CYS | 0 | -0.094 | -0.034 | 57.520 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | L | 24 | ARG | 1 | 0.955 | 0.974 | 55.927 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | L | 25 | ALA | 0 | 0.020 | 0.006 | 51.318 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | L | 26 | SER | 0 | 0.010 | 0.011 | 50.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | L | 27 | GLN | 0 | -0.002 | -0.003 | 44.744 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | L | 28 | SER | 0 | -0.017 | -0.012 | 45.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | L | 29 | ILE | 0 | 0.003 | -0.017 | 45.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | L | 30 | SER | 0 | 0.029 | 0.006 | 45.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | L | 31 | ARG | 1 | 0.942 | 0.985 | 47.253 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | L | 32 | TYR | 0 | -0.040 | -0.016 | 43.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | L | 33 | LEU | 0 | 0.010 | 0.008 | 49.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | L | 34 | ASN | 0 | -0.042 | -0.041 | 53.039 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | L | 35 | TRP | 0 | 0.015 | 0.006 | 56.056 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | L | 36 | TYR | 0 | -0.003 | -0.018 | 56.051 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | L | 37 | GLN | 0 | -0.006 | -0.011 | 62.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | L | 38 | GLN | 0 | 0.027 | 0.016 | 66.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | L | 39 | LYS | 1 | 0.826 | 0.922 | 67.958 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | L | 40 | PRO | 0 | 0.010 | -0.007 | 71.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | L | 41 | GLY | 0 | -0.004 | 0.006 | 73.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | L | 42 | LYS | 1 | 0.904 | 0.952 | 71.297 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | L | 43 | ALA | 0 | 0.054 | 0.038 | 66.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | L | 44 | PRO | 0 | -0.037 | -0.019 | 63.252 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | L | 45 | LYS | 1 | 0.912 | 0.969 | 62.979 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | L | 46 | LEU | 0 | -0.028 | -0.008 | 57.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | L | 47 | LEU | 0 | -0.031 | -0.010 | 61.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | L | 48 | ILE | 0 | -0.012 | -0.014 | 57.255 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | L | 49 | TYR | 0 | 0.043 | 0.024 | 52.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | L | 50 | ALA | 0 | 0.060 | 0.034 | 50.981 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | L | 51 | ALA | 0 | -0.018 | 0.004 | 52.414 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | L | 52 | SER | 0 | -0.039 | -0.025 | 54.221 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | L | 53 | SER | 0 | -0.048 | -0.008 | 54.643 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | L | 54 | LEU | 0 | 0.004 | 0.007 | 56.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | L | 55 | GLN | 0 | 0.033 | 0.023 | 59.279 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | L | 56 | SER | 0 | -0.002 | -0.018 | 60.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | L | 57 | GLY | 0 | -0.014 | -0.008 | 62.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | L | 58 | VAL | 0 | -0.035 | -0.002 | 63.818 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | L | 59 | PRO | 0 | 0.009 | -0.004 | 66.393 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | L | 60 | SER | 0 | 0.060 | 0.017 | 66.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | L | 61 | ARG | 1 | 0.726 | 0.846 | 67.053 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | L | 62 | PHE | 0 | -0.005 | 0.004 | 64.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | L | 63 | SER | 0 | 0.005 | -0.003 | 62.827 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | L | 64 | GLY | 0 | 0.017 | 0.004 | 59.207 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | L | 65 | SER | 0 | -0.020 | -0.012 | 57.391 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | L | 66 | GLY | 0 | 0.052 | 0.024 | 55.598 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | L | 67 | SER | 0 | -0.048 | -0.060 | 49.614 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | L | 68 | GLY | 0 | -0.005 | 0.015 | 48.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | L | 69 | THR | 0 | 0.004 | -0.015 | 49.741 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | L | 70 | ASP | -1 | -0.886 | -0.916 | 52.031 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | L | 71 | PHE | 0 | -0.010 | -0.009 | 51.027 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | L | 72 | THR | 0 | -0.052 | -0.042 | 57.033 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | L | 73 | LEU | 0 | -0.019 | 0.013 | 60.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | L | 74 | THR | 0 | -0.016 | -0.021 | 62.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | L | 75 | ILE | 0 | 0.009 | 0.014 | 65.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | L | 76 | SER | 0 | -0.033 | -0.027 | 69.002 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | L | 77 | SER | 0 | 0.067 | 0.015 | 70.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | L | 78 | LEU | 0 | -0.083 | -0.024 | 73.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | L | 79 | GLN | 0 | 0.046 | 0.023 | 74.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | L | 80 | PRO | 0 | 0.036 | 0.015 | 76.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | L | 81 | GLU | -1 | -0.786 | -0.893 | 74.569 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | L | 82 | ASP | -1 | -0.760 | -0.870 | 72.324 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | L | 83 | PHE | 0 | 0.020 | 0.036 | 72.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | L | 84 | ALA | 0 | -0.016 | -0.013 | 70.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | L | 85 | THR | 0 | -0.003 | 0.003 | 66.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | L | 86 | TYR | 0 | -0.022 | -0.014 | 64.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | L | 87 | TYR | 0 | 0.021 | 0.027 | 61.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | L | 89 | GLN | 0 | -0.002 | 0.003 | 52.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | L | 90 | GLN | 0 | 0.053 | 0.023 | 48.764 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | L | 91 | SER | 0 | -0.047 | -0.020 | 49.278 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | L | 92 | TYR | 0 | 0.046 | 0.011 | 42.613 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | L | 93 | SER | 0 | -0.030 | -0.040 | 44.125 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | L | 94 | THR | 0 | -0.051 | -0.016 | 39.607 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | L | 95 | PRO | 0 | -0.015 | -0.023 | 40.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | L | 96 | PRO | 0 | -0.005 | -0.006 | 43.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | L | 97 | GLU | -1 | -0.723 | -0.824 | 46.847 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | L | 98 | TYR | 0 | -0.106 | -0.072 | 49.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | L | 99 | THR | 0 | 0.011 | 0.023 | 51.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | L | 100 | PHE | 0 | 0.020 | -0.001 | 53.822 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | L | 101 | GLY | 0 | 0.052 | 0.034 | 57.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | L | 102 | GLN | 0 | -0.014 | -0.021 | 59.771 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | L | 103 | GLY | 0 | 0.012 | 0.005 | 63.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | L | 104 | THR | 0 | -0.069 | -0.063 | 64.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | L | 105 | LYS | 1 | 0.825 | 0.902 | 67.409 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | L | 106 | LEU | 0 | -0.016 | -0.010 | 70.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | L | 107 | GLU | -1 | -0.799 | -0.856 | 72.615 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | L | 108 | ILE | 0 | -0.012 | -0.013 | 76.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | L | 109 | LYS | 1 | 0.882 | 0.939 | 78.687 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | L | 110 | ARG | 1 | 0.854 | 0.916 | 81.176 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | L | 111 | THR | 0 | 0.021 | 0.007 | 84.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | L | 112 | VAL | 0 | -0.002 | 0.006 | 87.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | L | 113 | ALA | 0 | -0.019 | -0.009 | 89.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | L | 114 | ALA | 0 | 0.034 | 0.009 | 91.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | L | 115 | PRO | 0 | 0.001 | 0.020 | 92.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | L | 116 | SER | 0 | -0.021 | -0.004 | 94.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | L | 117 | VAL | 0 | -0.020 | -0.013 | 95.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | L | 118 | PHE | 0 | -0.034 | -0.027 | 96.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | L | 119 | ILE | 0 | -0.011 | -0.011 | 97.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | L | 120 | PHE | 0 | -0.025 | -0.006 | 96.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | L | 121 | PRO | 0 | 0.031 | 0.020 | 99.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | L | 122 | PRO | 0 | -0.002 | 0.001 | 100.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | L | 123 | SER | 0 | 0.040 | 0.022 | 99.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | L | 124 | ASP | -1 | -0.805 | -0.925 | 101.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | L | 125 | GLU | -1 | -0.850 | -0.908 | 99.792 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | L | 126 | GLN | 0 | 0.007 | -0.009 | 96.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | L | 127 | LEU | 0 | 0.002 | 0.023 | 100.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | L | 128 | LYS | 1 | 0.884 | 0.947 | 101.129 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | L | 129 | SER | 0 | -0.109 | -0.069 | 98.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | L | 130 | GLY | 0 | 0.036 | 0.017 | 99.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | L | 131 | THR | 0 | -0.058 | -0.031 | 95.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | L | 132 | ALA | 0 | -0.018 | -0.008 | 98.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | L | 133 | SER | 0 | -0.011 | -0.013 | 94.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | L | 134 | VAL | 0 | -0.023 | 0.007 | 96.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | L | 135 | VAL | 0 | 0.013 | 0.019 | 93.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | L | 196 | CYS | 0 | -0.057 | -0.007 | 94.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | L | 137 | LEU | 0 | -0.032 | -0.001 | 91.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | L | 138 | LEU | 0 | 0.012 | -0.001 | 91.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | L | 139 | ASN | 0 | 0.024 | -0.018 | 90.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | L | 140 | ASN | 0 | 0.034 | 0.024 | 89.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | L | 141 | PHE | 0 | -0.031 | 0.004 | 87.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | L | 142 | TYR | 0 | 0.026 | 0.007 | 81.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | L | 143 | PRO | 0 | 0.033 | 0.013 | 84.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | L | 144 | ARG | 1 | 1.014 | 0.996 | 80.381 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | L | 145 | GLU | -1 | -0.917 | -0.955 | 81.851 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | L | 146 | ALA | 0 | -0.002 | -0.005 | 85.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | L | 147 | LYS | 1 | 0.921 | 0.964 | 88.250 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | L | 148 | VAL | 0 | 0.045 | 0.020 | 90.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | L | 149 | GLN | 0 | -0.050 | -0.028 | 92.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | L | 150 | TRP | 0 | 0.027 | 0.016 | 93.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | L | 151 | LYS | 1 | 0.855 | 0.931 | 97.285 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | L | 152 | VAL | 0 | 0.028 | 0.010 | 100.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | L | 153 | ASP | -1 | -0.765 | -0.877 | 103.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | L | 154 | ASN | 0 | -0.052 | -0.027 | 104.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | L | 155 | ALA | 0 | 0.042 | 0.034 | 102.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | L | 156 | LEU | 0 | -0.018 | -0.016 | 97.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | L | 157 | GLN | 0 | -0.040 | -0.020 | 96.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | L | 158 | SER | 0 | 0.015 | -0.007 | 91.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | L | 159 | GLY | 0 | 0.032 | 0.026 | 90.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | L | 160 | ASN | 0 | -0.023 | -0.011 | 90.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | L | 161 | SER | 0 | 0.016 | -0.006 | 91.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | L | 162 | GLN | 0 | -0.064 | -0.030 | 83.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | L | 163 | GLU | -1 | -0.867 | -0.953 | 86.098 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | L | 164 | SER | 0 | -0.036 | -0.022 | 83.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | L | 165 | VAL | 0 | -0.009 | -0.014 | 82.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | L | 166 | THR | 0 | -0.005 | 0.000 | 82.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | L | 167 | GLU | -1 | -0.854 | -0.935 | 76.038 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | L | 168 | GLN | 0 | -0.005 | 0.004 | 78.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | L | 169 | ASP | -1 | -0.776 | -0.855 | 80.710 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | L | 170 | SER | 0 | -0.015 | -0.022 | 80.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | L | 171 | LYS | 1 | 0.767 | 0.855 | 81.298 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | L | 172 | ASP | -1 | -0.824 | -0.887 | 84.070 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | L | 173 | SER | 0 | -0.005 | 0.004 | 81.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | L | 174 | THR | 0 | -0.088 | -0.057 | 83.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | L | 175 | TYR | 0 | -0.053 | -0.056 | 80.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | L | 176 | SER | 0 | 0.068 | 0.028 | 85.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | L | 177 | LEU | 0 | -0.049 | -0.003 | 86.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | L | 178 | SER | 0 | 0.049 | 0.036 | 88.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | L | 179 | SER | 0 | 0.021 | 0.013 | 88.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | L | 180 | THR | 0 | -0.020 | -0.019 | 90.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | L | 181 | LEU | 0 | -0.010 | -0.004 | 92.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | L | 182 | THR | 0 | -0.015 | -0.007 | 92.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | L | 183 | LEU | 0 | -0.018 | -0.005 | 95.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | L | 184 | SER | 0 | 0.045 | 0.007 | 98.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | L | 185 | LYS | 1 | 0.886 | 0.923 | 99.870 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | L | 186 | ALA | 0 | 0.058 | 0.025 | 103.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | L | 187 | ASP | -1 | -0.835 | -0.908 | 101.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | L | 188 | TYR | 0 | 0.015 | 0.017 | 102.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | L | 189 | GLU | -1 | -0.840 | -0.923 | 103.991 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | L | 190 | LYS | 1 | 0.830 | 0.926 | 104.327 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | L | 191 | HIS | 1 | 0.851 | 0.939 | 104.097 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | L | 192 | LYS | 1 | 0.932 | 0.967 | 108.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | L | 193 | VAL | 0 | -0.008 | 0.012 | 106.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | L | 194 | TYR | 0 | -0.005 | -0.018 | 101.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | L | 195 | ALA | 0 | 0.011 | -0.013 | 102.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | L | 197 | GLU | -1 | -0.883 | -0.954 | 97.735 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | L | 198 | VAL | 0 | 0.049 | 0.015 | 93.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | L | 199 | THR | 0 | -0.061 | -0.033 | 93.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | L | 200 | HIS | 0 | 0.041 | 0.000 | 88.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | L | 201 | GLN | 0 | 0.055 | 0.029 | 87.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | L | 202 | GLY | 0 | -0.018 | -0.009 | 91.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | L | 203 | LEU | 0 | -0.043 | -0.022 | 93.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | L | 204 | SER | 0 | 0.016 | 0.008 | 96.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | L | 205 | SER | 0 | 0.023 | 0.005 | 99.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | L | 206 | PRO | 0 | -0.052 | -0.021 | 97.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | L | 207 | VAL | 0 | 0.034 | 0.037 | 98.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | L | 208 | THR | 0 | 0.015 | 0.003 | 99.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | L | 209 | LYS | 1 | 0.885 | 0.962 | 100.862 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | L | 210 | SER | 0 | -0.010 | -0.015 | 102.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | L | 211 | PHE | 0 | -0.018 | -0.005 | 102.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | L | 212 | ASN | 0 | 0.009 | -0.004 | 106.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | L | 213 | ARG | 1 | 0.899 | 0.959 | 106.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | L | 214 | GLY | 0 | 0.006 | 0.015 | 108.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | L | 215 | GLU | -1 | -0.975 | -0.988 | 108.482 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |