FMODB ID: V23M1
Calculation Name: 6Z2M-ABCD-Xray208
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 6Z2M
Chain ID: ABCD
UniProt ID: P0DTC2
Base Structure: X-ray
Registration Date: 2021-03-15
Reference: C. Watanabe, T. Honma et. al., SARS-Cov-2 spike protein and antibody recognition by FMO-based interaction energy analysis, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSideSolv |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | All crystal waters in PDB. |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 752 |
LigandCharge | |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -16521829.451026 |
---|---|
FMO2-HF: Nuclear repulsion | 16228677.233596 |
FMO2-HF: Total energy | -293152.217431 |
FMO2-MP2: Total energy | -294005.469053 |
3D Structure
Ligand structure
Ligand Interaction
Antigen and antibody binding energy (frag 1-193 : frag 194-752)
"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. |
-795.6756 | -723.2929 | 341.2292 | -161.2283 | -252.3836 | -0.0859 |
Interactive mode: IFIE and PIEDA for fragment #1(A:332:ILE )
Summations of interaction energy for
fragment #1(A:332:ILE )
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. |
-1.053 | 0.281 | -0.012 | -0.548 | -0.775 | 0.002 |
Interaction energy analysis for fragmet #1(A:332:ILE )
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 | 334 | ASN | 0 | 0.026 | 0.006 | 3.813 | -0.681 | 0.653 | -0.012 | -0.548 | -0.775 | 0.002 |
4 | A | 335 | LEU | 0 | 0.013 | 0.014 | 6.508 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 361 | CYS | 0 | -0.040 | 0.000 | 9.650 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 337 | PRO | 0 | 0.032 | 0.017 | 13.065 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 338 | PHE | 0 | 0.049 | 0.003 | 14.428 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 339 | GLY | 0 | 0.011 | 0.005 | 15.567 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 340 | GLU | -1 | -0.876 | -0.950 | 16.084 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 341 | VAL | 0 | -0.045 | -0.019 | 18.620 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 342 | PHE | 0 | 0.006 | -0.009 | 20.517 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 343 | ASN | 0 | -0.004 | 0.003 | 19.289 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 344 | ALA | 0 | 0.015 | 0.032 | 21.803 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 345 | THR | 0 | 0.019 | -0.003 | 23.356 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 346 | ARG | 1 | 0.933 | 0.972 | 25.973 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 347 | PHE | 0 | 0.044 | 0.023 | 25.214 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 348 | ALA | 0 | 0.000 | 0.007 | 29.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 349 | SER | 0 | 0.004 | -0.010 | 31.672 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 350 | VAL | 0 | 0.011 | 0.015 | 34.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 351 | TYR | 0 | 0.018 | 0.008 | 35.836 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 352 | ALA | 0 | -0.062 | -0.025 | 34.678 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 353 | TRP | 0 | -0.049 | -0.008 | 29.893 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 354 | ASN | 0 | 0.005 | -0.002 | 25.624 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 355 | ARG | 1 | 0.853 | 0.911 | 26.025 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 356 | LYS | 1 | 0.866 | 0.948 | 17.273 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 357 | ARG | 1 | 0.905 | 0.957 | 20.017 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 358 | ILE | 0 | -0.008 | 0.004 | 16.404 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 359 | SER | 0 | -0.011 | -0.044 | 16.322 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 360 | ASN | 0 | -0.018 | -0.008 | 12.562 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 362 | VAL | 0 | 0.050 | 0.032 | 9.800 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 363 | ALA | 0 | 0.000 | -0.009 | 10.794 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 364 | ASP | -1 | -0.795 | -0.879 | 11.972 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 365 | TYR | 0 | 0.000 | -0.016 | 13.633 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 366 | SER | 0 | -0.077 | -0.067 | 15.341 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 367 | VAL | 0 | 0.008 | -0.002 | 13.998 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 368 | LEU | 0 | -0.056 | -0.016 | 17.215 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 369 | TYR | 0 | -0.021 | -0.006 | 19.689 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 370 | ASN | 0 | -0.023 | -0.020 | 20.066 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 371 | SER | 0 | 0.030 | 0.028 | 20.910 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 372 | ALA | 0 | -0.034 | -0.016 | 22.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 373 | SER | 0 | -0.038 | -0.021 | 24.991 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 374 | PHE | 0 | 0.023 | 0.010 | 23.029 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 375 | SER | 0 | -0.012 | -0.015 | 28.675 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 376 | THR | 0 | -0.038 | -0.027 | 31.055 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 377 | PHE | 0 | 0.021 | -0.002 | 23.383 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 378 | LYS | 1 | 0.820 | 0.918 | 29.607 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 432 | CYS | 0 | -0.096 | -0.013 | 26.268 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 380 | TYR | 0 | 0.036 | -0.004 | 30.060 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 381 | GLY | 0 | 0.072 | 0.037 | 31.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 382 | VAL | 0 | 0.010 | 0.011 | 25.575 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 383 | SER | 0 | 0.024 | -0.001 | 26.493 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 384 | PRO | 0 | -0.002 | -0.013 | 22.657 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 385 | THR | 0 | -0.016 | -0.013 | 21.436 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 386 | LYS | 1 | 0.777 | 0.881 | 22.270 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 387 | LEU | 0 | 0.055 | 0.052 | 20.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 388 | ASN | 0 | -0.089 | -0.042 | 16.675 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 389 | ASP | -1 | -0.812 | -0.913 | 16.983 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 390 | LEU | 0 | -0.022 | 0.000 | 18.590 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 525 | CYS | 0 | -0.002 | 0.008 | 15.204 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 392 | PHE | 0 | 0.038 | -0.015 | 19.478 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 393 | THR | 0 | 0.013 | -0.018 | 20.527 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 394 | ASN | 0 | -0.098 | -0.072 | 20.524 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 395 | VAL | 0 | 0.004 | 0.018 | 20.267 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 396 | TYR | 0 | -0.054 | -0.053 | 21.597 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 397 | ALA | 0 | 0.012 | -0.007 | 22.153 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 398 | ASP | -1 | -0.721 | -0.813 | 24.148 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 399 | SER | 0 | -0.019 | 0.003 | 26.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 400 | PHE | 0 | -0.029 | -0.022 | 28.128 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 401 | VAL | 0 | 0.007 | 0.007 | 31.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 402 | ILE | 0 | -0.014 | 0.008 | 33.836 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 403 | ARG | 1 | 0.853 | 0.930 | 36.907 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 404 | GLY | 0 | 0.039 | 0.024 | 38.523 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 405 | ASP | -1 | -0.810 | -0.913 | 39.579 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 406 | GLU | -1 | -0.821 | -0.903 | 40.225 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 407 | VAL | 0 | 0.019 | 0.005 | 35.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 408 | ARG | 1 | 0.915 | 0.967 | 37.376 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 409 | GLN | 0 | 0.050 | 0.010 | 39.947 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 410 | ILE | 0 | -0.034 | 0.003 | 33.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 411 | ALA | 0 | 0.016 | -0.012 | 35.536 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 412 | PRO | 0 | -0.020 | 0.008 | 35.906 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 413 | GLY | 0 | 0.043 | 0.025 | 38.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 414 | GLN | 0 | -0.113 | -0.035 | 40.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 415 | THR | 0 | 0.012 | -0.002 | 43.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 416 | GLY | 0 | 0.006 | 0.008 | 45.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 417 | LYS | 1 | 0.845 | 0.925 | 43.387 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 418 | ILE | 0 | -0.035 | -0.012 | 38.845 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 419 | ALA | 0 | 0.056 | 0.038 | 40.171 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 420 | ASP | -1 | -0.803 | -0.902 | 41.257 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 421 | TYR | 0 | -0.028 | -0.022 | 43.366 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 422 | ASN | 0 | -0.060 | -0.039 | 38.864 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 423 | TYR | 0 | 0.025 | -0.035 | 30.835 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 424 | LYS | 1 | 0.938 | 0.999 | 37.151 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 425 | LEU | 0 | 0.007 | 0.007 | 32.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 426 | PRO | 0 | -0.025 | -0.012 | 34.877 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 427 | ASP | -1 | -0.843 | -0.953 | 37.253 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 428 | ASP | -1 | -0.915 | -0.948 | 35.152 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 429 | PHE | 0 | -0.068 | -0.017 | 29.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 430 | THR | 0 | 0.041 | 0.022 | 29.771 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 431 | GLY | 0 | 0.017 | -0.006 | 27.580 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 433 | VAL | 0 | 0.014 | 0.013 | 28.128 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 434 | ILE | 0 | -0.034 | -0.013 | 24.118 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 435 | ALA | 0 | 0.029 | 0.014 | 28.338 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 436 | TRP | 0 | 0.023 | 0.006 | 25.654 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 437 | ASN | 0 | -0.046 | -0.017 | 31.002 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 438 | SER | 0 | 0.028 | -0.002 | 31.104 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 439 | ASN | 0 | 0.029 | 0.014 | 32.721 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 440 | ASN | 0 | 0.001 | -0.003 | 30.371 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 441 | LEU | 0 | -0.029 | -0.001 | 28.118 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 442 | ASP | -1 | -0.779 | -0.829 | 32.257 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 443 | SER | 0 | 0.010 | -0.016 | 34.674 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 444 | LYS | 1 | 0.915 | 0.946 | 37.490 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 445 | VAL | 0 | 0.034 | 0.012 | 40.188 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 446 | GLY | 0 | 0.037 | 0.028 | 43.543 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 447 | GLY | 0 | 0.015 | 0.020 | 43.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 448 | ASN | 0 | -0.087 | -0.050 | 35.882 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 449 | TYR | 0 | 0.015 | 0.006 | 40.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 450 | ASN | 0 | -0.036 | -0.029 | 36.639 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 451 | TYR | 0 | -0.025 | -0.015 | 32.241 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 452 | LEU | 0 | -0.026 | -0.023 | 37.981 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 453 | TYR | 0 | 0.027 | 0.005 | 39.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 454 | ARG | 1 | 0.796 | 0.864 | 41.406 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 455 | LEU | 0 | -0.050 | -0.026 | 43.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 456 | PHE | 0 | -0.001 | -0.002 | 47.495 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 457 | ARG | 1 | 0.721 | 0.820 | 42.445 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 458 | LYS | 1 | 0.921 | 0.967 | 48.379 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 459 | SER | 0 | 0.027 | 0.019 | 47.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 460 | ASN | 0 | -0.005 | -0.002 | 45.193 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 461 | LEU | 0 | -0.083 | -0.006 | 38.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 462 | LYS | 1 | 0.959 | 0.969 | 39.982 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 463 | PRO | 0 | 0.000 | -0.024 | 36.972 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 464 | PHE | 0 | -0.015 | -0.006 | 31.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 465 | GLU | -1 | -0.768 | -0.856 | 34.366 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 466 | ARG | 1 | 0.898 | 0.950 | 31.653 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 467 | ASP | -1 | -0.777 | -0.866 | 36.269 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 468 | ILE | 0 | -0.017 | -0.013 | 36.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 469 | SER | 0 | 0.019 | 0.021 | 39.521 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 470 | THR | 0 | 0.005 | -0.017 | 42.946 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 471 | GLU | -1 | -0.907 | -0.943 | 45.449 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 472 | ILE | 0 | -0.038 | -0.024 | 48.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 473 | TYR | 0 | 0.002 | 0.009 | 50.562 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 474 | GLN | 0 | 0.006 | -0.009 | 52.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 475 | ALA | 0 | -0.025 | -0.015 | 55.734 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 476 | GLY | 0 | 0.030 | 0.015 | 57.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 477 | SER | 0 | 0.003 | -0.002 | 60.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 478 | THR | 0 | -0.021 | -0.009 | 62.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 479 | PRO | 0 | 0.034 | 0.034 | 59.365 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 488 | CYS | 0 | 0.029 | 0.016 | 56.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 481 | ASN | 0 | -0.012 | -0.007 | 56.388 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 482 | GLY | 0 | -0.002 | -0.004 | 53.621 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 483 | VAL | 0 | -0.041 | -0.017 | 54.239 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 484 | GLU | -1 | -0.744 | -0.853 | 52.604 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 485 | GLY | 0 | 0.003 | -0.009 | 56.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 486 | PHE | 0 | -0.008 | 0.008 | 59.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 487 | ASN | 0 | -0.024 | -0.012 | 59.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 489 | TYR | 0 | 0.028 | 0.022 | 53.176 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 490 | PHE | 0 | 0.033 | 0.013 | 45.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 491 | PRO | 0 | -0.010 | 0.020 | 46.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 492 | LEU | 0 | -0.010 | -0.007 | 41.935 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 493 | GLN | 0 | 0.021 | 0.015 | 45.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 494 | SER | 0 | 0.051 | 0.019 | 42.516 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 495 | TYR | 0 | -0.099 | -0.088 | 39.010 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 496 | GLY | 0 | 0.035 | 0.015 | 42.800 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 497 | PHE | 0 | -0.018 | -0.002 | 37.887 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 498 | GLN | 0 | 0.029 | 0.011 | 41.250 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 499 | PRO | 0 | -0.006 | -0.009 | 40.103 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 500 | THR | 0 | 0.010 | 0.000 | 41.682 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 501 | ASN | 0 | -0.014 | 0.014 | 43.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 502 | GLY | 0 | 0.073 | 0.037 | 43.855 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 503 | VAL | 0 | 0.032 | -0.003 | 39.954 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 504 | GLY | 0 | -0.014 | 0.014 | 40.987 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 505 | TYR | 0 | 0.018 | -0.006 | 42.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 506 | GLN | 0 | -0.044 | -0.022 | 38.698 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 507 | PRO | 0 | -0.005 | 0.005 | 35.235 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 508 | TYR | 0 | 0.011 | -0.006 | 34.036 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 509 | ARG | 1 | 0.773 | 0.874 | 27.016 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 510 | VAL | 0 | -0.011 | -0.016 | 30.232 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 511 | VAL | 0 | -0.003 | -0.017 | 23.936 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 512 | VAL | 0 | -0.011 | -0.003 | 27.406 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 513 | LEU | 0 | -0.027 | 0.001 | 22.082 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 514 | SER | 0 | 0.021 | 0.006 | 25.697 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 515 | PHE | 0 | -0.009 | -0.013 | 21.663 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 516 | GLU | -1 | -0.787 | -0.857 | 24.974 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 517 | LEU | 0 | 0.023 | 0.005 | 23.561 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 518 | LEU | 0 | 0.008 | 0.015 | 26.383 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 519 | HIS | 0 | 0.008 | 0.021 | 27.853 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 520 | ALA | 0 | 0.013 | -0.003 | 25.753 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 521 | PRO | 0 | -0.009 | -0.006 | 21.605 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 522 | ALA | 0 | 0.023 | 0.022 | 20.391 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 523 | THR | 0 | -0.052 | -0.017 | 16.099 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 524 | VAL | 0 | 0.024 | 0.023 | 15.389 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 526 | GLY | 0 | 0.030 | 0.019 | 13.876 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 527 | PRO | 0 | -0.019 | 0.022 | 10.965 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 528 | LYS | 1 | 0.848 | 0.905 | 13.360 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 0 | THR | 0 | -0.022 | -0.027 | 24.457 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 1 | GLN | 0 | 0.054 | 0.047 | 21.463 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 2 | MET | 0 | -0.021 | -0.002 | 25.127 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 3 | GLN | 0 | 0.003 | 0.011 | 28.828 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 4 | LEU | 0 | 0.013 | -0.005 | 32.117 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 5 | VAL | 0 | 0.007 | 0.010 | 35.645 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 6 | GLN | 0 | -0.006 | -0.014 | 38.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 7 | SER | 0 | -0.007 | -0.003 | 42.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 8 | GLY | 0 | 0.021 | 0.015 | 45.668 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 9 | THR | 0 | -0.029 | -0.021 | 47.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 10 | GLU | -1 | -0.892 | -0.953 | 50.348 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 11 | VAL | 0 | -0.059 | -0.030 | 53.426 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 12 | LYS | 1 | 0.866 | 0.931 | 55.745 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 13 | LYS | 1 | 0.919 | 0.960 | 59.056 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 14 | PRO | 0 | 0.007 | -0.017 | 61.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 15 | GLY | 0 | -0.003 | 0.002 | 62.516 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 16 | GLU | -1 | -0.840 | -0.909 | 59.704 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 17 | SER | 0 | 0.020 | 0.015 | 56.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 18 | LEU | 0 | 0.007 | 0.001 | 52.223 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 19 | LYS | 1 | 0.918 | 0.975 | 48.358 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 20 | ILE | 0 | 0.009 | 0.043 | 46.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 21 | SER | 0 | 0.021 | -0.021 | 43.706 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 96 | CYS | 0 | -0.068 | -0.023 | 39.170 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 23 | LYS | 1 | 0.917 | 0.969 | 36.975 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 24 | GLY | 0 | 0.032 | 0.019 | 34.176 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 25 | SER | 0 | -0.062 | -0.033 | 32.589 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 26 | GLY | 0 | 0.071 | 0.011 | 28.486 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 27 | TYR | 0 | -0.012 | -0.002 | 24.548 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 28 | GLY | 0 | 0.106 | 0.054 | 25.613 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 29 | PHE | 0 | 0.006 | -0.012 | 26.422 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 30 | ILE | 0 | -0.031 | 0.000 | 28.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 31 | THR | 0 | 0.006 | 0.006 | 25.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 32 | TYR | 0 | -0.094 | -0.031 | 27.310 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 33 | TRP | 0 | -0.045 | -0.015 | 31.632 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 34 | ILE | 0 | -0.006 | -0.002 | 34.782 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 35 | GLY | 0 | 0.032 | 0.006 | 37.365 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 36 | TRP | 0 | -0.046 | -0.019 | 40.010 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 37 | VAL | 0 | -0.002 | -0.006 | 41.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 38 | ARG | 1 | 0.828 | 0.876 | 44.237 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 39 | GLN | 0 | 0.032 | 0.026 | 46.441 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 40 | MET | 0 | -0.008 | 0.003 | 48.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 41 | PRO | 0 | 0.018 | -0.005 | 52.250 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 42 | GLY | 0 | 0.026 | 0.024 | 52.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 43 | LYS | 1 | 0.862 | 0.928 | 52.237 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 44 | GLY | 0 | 0.073 | 0.037 | 48.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 45 | LEU | 0 | -0.033 | -0.009 | 42.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 46 | GLU | -1 | -0.756 | -0.854 | 46.637 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 47 | TRP | 0 | 0.013 | 0.009 | 40.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 48 | MET | 0 | -0.033 | 0.017 | 45.189 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 49 | GLY | 0 | 0.046 | 0.006 | 44.622 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 50 | ILE | 0 | -0.062 | -0.023 | 36.994 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 51 | ILE | 0 | -0.003 | -0.003 | 39.755 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 52 | TYR | 0 | 0.008 | 0.010 | 31.954 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 53 | PRO | 0 | 0.031 | -0.008 | 35.732 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 54 | GLY | 0 | -0.031 | -0.004 | 35.718 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 55 | ASP | -1 | -0.805 | -0.901 | 36.560 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 56 | SER | 0 | -0.031 | -0.017 | 39.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 57 | GLU | -1 | -0.818 | -0.888 | 39.968 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 58 | THR | 0 | -0.010 | -0.014 | 41.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 59 | ARG | 1 | 0.869 | 0.943 | 39.263 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 60 | TYR | 0 | 0.054 | 0.019 | 44.626 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 61 | SER | 0 | 0.009 | 0.002 | 46.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 62 | PRO | 0 | 0.081 | 0.027 | 48.413 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 63 | SER | 0 | -0.019 | 0.002 | 51.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 64 | PHE | 0 | -0.022 | -0.032 | 50.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 65 | GLN | 0 | -0.003 | 0.011 | 51.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 66 | GLY | 0 | -0.006 | 0.006 | 52.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 67 | GLN | 0 | -0.052 | -0.033 | 54.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 68 | VAL | 0 | -0.002 | 0.010 | 50.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 69 | THR | 0 | -0.042 | -0.015 | 50.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 70 | ILE | 0 | 0.025 | 0.006 | 43.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 71 | SER | 0 | -0.028 | -0.014 | 45.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 72 | ALA | 0 | 0.011 | -0.010 | 40.438 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 73 | ASP | -1 | -0.841 | -0.885 | 41.677 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 74 | LYS | 1 | 0.865 | 0.906 | 36.167 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 75 | SER | 0 | -0.050 | -0.029 | 37.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 76 | ILE | 0 | 0.027 | 0.023 | 37.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 77 | ASN | 0 | -0.049 | -0.016 | 32.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 78 | THR | 0 | -0.012 | -0.010 | 36.584 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 79 | ALA | 0 | 0.012 | 0.010 | 39.579 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 80 | TYR | 0 | -0.019 | -0.034 | 41.307 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 81 | LEU | 0 | 0.020 | 0.019 | 45.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 82 | GLN | 0 | -0.008 | -0.013 | 47.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 83 | TRP | 0 | 0.072 | 0.022 | 50.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 84 | SER | 0 | -0.056 | -0.025 | 54.654 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 85 | SER | 0 | 0.021 | -0.010 | 57.718 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 86 | LEU | 0 | -0.034 | 0.009 | 55.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 87 | LYS | 1 | 0.973 | 0.987 | 58.894 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 88 | ALA | 0 | 0.054 | 0.012 | 59.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 89 | SER | 0 | -0.045 | -0.033 | 58.585 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 90 | ASP | -1 | -0.846 | -0.917 | 55.272 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 91 | THR | 0 | -0.013 | 0.009 | 54.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 92 | ALA | 0 | -0.005 | 0.000 | 51.536 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 93 | ILE | 0 | -0.034 | 0.004 | 46.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 94 | TYR | 0 | -0.017 | -0.032 | 46.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 95 | TYR | 0 | 0.043 | 0.025 | 41.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 97 | ALA | 0 | 0.037 | 0.006 | 37.028 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 98 | GLY | 0 | 0.028 | 0.011 | 33.902 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 99 | GLY | 0 | 0.077 | 0.037 | 31.076 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 100 | SER | 0 | -0.024 | 0.013 | 27.118 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 101 | GLY | 0 | 0.077 | 0.016 | 28.735 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 102 | ILE | 0 | -0.067 | -0.009 | 31.313 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 103 | SER | 0 | 0.022 | -0.002 | 33.688 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 104 | THR | 0 | -0.088 | -0.037 | 30.225 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 105 | PRO | 0 | 0.014 | 0.003 | 30.249 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 106 | MET | 0 | -0.013 | 0.002 | 32.192 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 107 | ASP | -1 | -0.792 | -0.918 | 28.888 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 108 | VAL | 0 | -0.039 | -0.003 | 30.067 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 109 | TRP | 0 | -0.017 | -0.026 | 32.690 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 110 | GLY | 0 | 0.034 | 0.025 | 36.053 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 111 | GLN | 0 | -0.016 | -0.015 | 38.553 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 112 | GLY | 0 | 0.008 | 0.008 | 41.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 113 | THR | 0 | -0.038 | -0.028 | 43.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 114 | THR | 0 | -0.014 | -0.010 | 47.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 115 | VAL | 0 | 0.041 | 0.027 | 50.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 116 | THR | 0 | -0.033 | -0.023 | 53.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 117 | VAL | 0 | 0.019 | 0.014 | 56.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 118 | ALA | 0 | 0.032 | 0.009 | 59.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 119 | SER | 0 | -0.024 | -0.011 | 62.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 120 | THR | 0 | -0.034 | 0.000 | 60.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 121 | LYS | 1 | 0.875 | 0.931 | 63.779 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 122 | GLY | 0 | 0.001 | 0.000 | 64.533 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 123 | PRO | 0 | -0.008 | -0.004 | 62.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 124 | SER | 0 | -0.033 | -0.008 | 65.718 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 125 | VAL | 0 | 0.013 | 0.013 | 64.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 126 | PHE | 0 | 0.019 | -0.001 | 67.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 127 | PRO | 0 | 0.007 | 0.006 | 68.406 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 128 | LEU | 0 | -0.026 | -0.009 | 66.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 129 | ALA | 0 | 0.010 | 0.003 | 68.903 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 130 | PRO | 0 | 0.019 | 0.013 | 69.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 131 | SER | 0 | -0.002 | 0.001 | 71.240 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 132 | SER | 0 | -0.025 | -0.023 | 73.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 133 | NME | 0 | 0.011 | 0.018 | 75.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 136 | ACE | 0 | 0.016 | -0.004 | 74.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 137 | GLY | 0 | 0.018 | -0.006 | 72.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 138 | GLY | 0 | 0.023 | 0.033 | 68.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 139 | THR | 0 | -0.048 | -0.016 | 64.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 140 | ALA | 0 | 0.039 | 0.026 | 66.234 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 141 | ALA | 0 | 0.007 | 0.009 | 65.378 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 142 | LEU | 0 | -0.009 | 0.001 | 64.503 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 143 | GLY | 0 | 0.061 | 0.015 | 64.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 200 | CYS | 0 | -0.078 | -0.028 | 61.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 145 | LEU | 0 | 0.031 | 0.030 | 64.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 146 | VAL | 0 | -0.016 | -0.007 | 61.846 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 147 | LYS | 1 | 0.919 | 0.937 | 64.764 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 148 | ASP | -1 | -0.817 | -0.909 | 67.142 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 149 | TYR | 0 | -0.042 | -0.031 | 58.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 150 | PHE | 0 | 0.076 | 0.056 | 60.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 151 | PRO | 0 | -0.016 | -0.009 | 57.544 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 152 | GLU | -1 | -0.768 | -0.855 | 55.221 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 153 | PRO | 0 | -0.043 | -0.024 | 51.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 154 | VAL | 0 | -0.008 | -0.024 | 55.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 155 | THR | 0 | -0.088 | -0.021 | 53.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 156 | VAL | 0 | 0.086 | 0.010 | 55.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 157 | SER | 0 | -0.061 | -0.001 | 54.707 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 158 | TRP | 0 | 0.086 | 0.033 | 56.486 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 159 | ASN | 0 | 0.009 | -0.011 | 57.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 160 | SER | 0 | -0.012 | -0.004 | 56.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 161 | GLY | 0 | 0.009 | 0.009 | 53.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 162 | ALA | 0 | -0.043 | -0.015 | 52.683 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 163 | LEU | 0 | -0.051 | -0.018 | 54.654 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 164 | THR | 0 | 0.007 | 0.003 | 50.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 165 | SER | 0 | 0.020 | 0.006 | 52.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 166 | GLY | 0 | 0.025 | 0.005 | 53.922 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 167 | VAL | 0 | -0.031 | -0.008 | 54.826 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 168 | HIS | 0 | 0.013 | 0.016 | 55.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 169 | THR | 0 | -0.025 | -0.027 | 54.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 170 | PHE | 0 | -0.018 | -0.012 | 55.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 171 | PRO | 0 | -0.003 | -0.008 | 54.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 172 | ALA | 0 | 0.002 | 0.013 | 56.992 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 173 | VAL | 0 | 0.004 | 0.010 | 59.180 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 174 | LEU | 0 | -0.052 | -0.027 | 61.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 175 | GLN | 0 | 0.008 | -0.002 | 63.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 176 | SER | 0 | 0.055 | 0.015 | 67.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 177 | SER | 0 | -0.018 | -0.010 | 69.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 178 | GLY | 0 | 0.014 | 0.016 | 66.411 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 179 | LEU | 0 | -0.081 | -0.030 | 65.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 180 | TYR | 0 | 0.019 | 0.000 | 58.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 181 | SER | 0 | -0.044 | -0.029 | 63.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 182 | LEU | 0 | -0.005 | 0.017 | 58.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 183 | SER | 0 | 0.068 | 0.027 | 61.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 184 | SER | 0 | -0.039 | -0.011 | 59.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 185 | VAL | 0 | 0.055 | 0.026 | 60.676 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 186 | VAL | 0 | -0.002 | -0.003 | 59.190 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 187 | THR | 0 | -0.030 | -0.011 | 60.352 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 188 | VAL | 0 | -0.005 | -0.005 | 61.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 189 | PRO | 0 | 0.071 | 0.024 | 62.274 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 190 | SER | 0 | 0.015 | -0.003 | 65.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 191 | SER | 0 | -0.005 | 0.003 | 67.057 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 192 | SER | 0 | -0.025 | -0.016 | 65.526 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 193 | LEU | 0 | 0.013 | 0.004 | 67.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 194 | GLY | 0 | -0.003 | 0.012 | 70.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 195 | THR | 0 | -0.040 | -0.011 | 67.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 196 | GLN | 0 | -0.043 | -0.017 | 62.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 197 | THR | 0 | -0.010 | -0.014 | 65.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 198 | TYR | 0 | -0.008 | -0.030 | 61.971 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 199 | ILE | 0 | 0.026 | 0.022 | 61.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 201 | ASN | 0 | -0.041 | -0.045 | 58.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 202 | VAL | 0 | 0.029 | 0.010 | 59.085 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 203 | ASN | 0 | 0.029 | 0.007 | 57.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 204 | HIS | 1 | 0.820 | 0.882 | 58.294 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 205 | LYS | 1 | 1.017 | 0.997 | 51.484 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 206 | PRO | 0 | 0.005 | 0.006 | 56.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 207 | SER | 0 | 0.032 | 0.026 | 59.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 208 | ASN | 0 | -0.072 | -0.026 | 58.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 209 | THR | 0 | 0.046 | 0.039 | 61.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 210 | LYS | 1 | 0.896 | 0.898 | 59.976 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 211 | VAL | 0 | -0.031 | -0.008 | 62.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 212 | ASP | -1 | -0.783 | -0.856 | 61.798 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 213 | LYS | 1 | 0.825 | 0.901 | 64.520 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 214 | LYS | 1 | 0.871 | 0.919 | 65.769 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 215 | VAL | 0 | -0.032 | -0.006 | 66.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 216 | GLU | -1 | -0.830 | -0.907 | 69.503 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 217 | PRO | 0 | -0.016 | 0.000 | 72.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 218 | LYS | 1 | 0.844 | 0.928 | 74.542 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 219 | SER | 0 | 0.017 | 0.009 | 77.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | C | 1 | ASP | -1 | -0.907 | -0.959 | 46.578 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | C | 2 | ILE | 0 | -0.072 | -0.028 | 42.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | C | 3 | GLN | 0 | 0.028 | 0.017 | 46.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | C | 4 | LEU | 0 | -0.011 | -0.031 | 42.239 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | C | 5 | THR | 0 | -0.014 | -0.005 | 46.977 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | C | 6 | GLN | 0 | -0.005 | -0.017 | 44.406 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | C | 7 | SER | 0 | -0.016 | 0.027 | 47.183 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | C | 8 | PRO | 0 | 0.014 | -0.004 | 47.396 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | C | 9 | ASP | -1 | -0.794 | -0.884 | 48.964 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | C | 10 | SER | 0 | -0.036 | -0.022 | 49.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | C | 11 | LEU | 0 | -0.003 | 0.001 | 45.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | C | 12 | ALA | 0 | -0.006 | 0.001 | 48.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | C | 13 | VAL | 0 | 0.000 | -0.007 | 44.796 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | C | 14 | SER | 0 | -0.003 | -0.014 | 47.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | C | 15 | LEU | 0 | -0.006 | -0.022 | 43.347 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | C | 16 | GLY | 0 | -0.003 | 0.012 | 41.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | C | 17 | GLU | -1 | -0.893 | -0.915 | 41.723 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | C | 18 | ARG | 1 | 0.889 | 0.939 | 37.629 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | C | 19 | ALA | 0 | 0.004 | 0.014 | 41.545 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | C | 20 | THR | 0 | -0.004 | -0.010 | 41.466 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | C | 21 | ILE | 0 | 0.004 | 0.014 | 42.062 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | C | 22 | ASN | 0 | 0.045 | 0.024 | 42.427 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | C | 94 | CYS | 0 | -0.023 | -0.004 | 40.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | C | 24 | LYS | 1 | 0.836 | 0.933 | 43.663 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | C | 25 | SER | 0 | 0.010 | -0.013 | 44.003 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | C | 26 | SER | 0 | 0.019 | 0.009 | 46.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | C | 27 | GLN | 0 | 0.035 | 0.006 | 44.614 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | C | 28 | SER | 0 | -0.060 | 0.000 | 41.682 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | C | 29 | VAL | 0 | 0.008 | 0.009 | 39.069 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | C | 30 | LEU | 0 | -0.003 | -0.004 | 35.954 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | C | 31 | TYR | 0 | 0.033 | 0.022 | 33.874 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | C | 32 | SER | 0 | 0.018 | -0.009 | 34.243 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | C | 33 | SER | 0 | -0.024 | -0.020 | 32.459 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | C | 34 | ILE | 0 | -0.040 | -0.008 | 28.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | C | 35 | ASN | 0 | -0.044 | -0.019 | 29.534 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | C | 36 | LYS | 1 | 0.939 | 0.984 | 26.084 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | C | 37 | ASN | 0 | 0.019 | -0.004 | 32.123 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | C | 38 | TYR | 0 | -0.088 | -0.046 | 30.951 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | C | 39 | LEU | 0 | 0.003 | 0.005 | 35.272 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | C | 40 | ALA | 0 | -0.032 | -0.024 | 34.440 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | C | 41 | TRP | 0 | 0.008 | 0.012 | 35.139 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | C | 42 | TYR | 0 | -0.013 | -0.031 | 35.574 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | C | 43 | GLN | 0 | -0.026 | -0.020 | 37.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | C | 44 | GLN | 0 | 0.006 | -0.013 | 39.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | C | 45 | LYS | 1 | 0.911 | 0.979 | 38.130 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | C | 46 | PRO | 0 | 0.024 | -0.009 | 43.344 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | C | 47 | GLY | 0 | 0.007 | 0.008 | 45.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | C | 48 | GLN | 0 | -0.028 | -0.004 | 40.267 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | C | 49 | PRO | 0 | 0.008 | 0.008 | 37.945 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | C | 50 | PRO | 0 | -0.037 | -0.019 | 39.091 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | C | 51 | LYS | 1 | 0.916 | 0.965 | 31.141 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | C | 52 | LEU | 0 | -0.008 | 0.010 | 30.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | C | 53 | LEU | 0 | -0.050 | -0.025 | 32.031 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | C | 54 | ILE | 0 | 0.006 | -0.005 | 30.889 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | C | 55 | TYR | 0 | 0.030 | 0.017 | 24.750 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | C | 56 | TRP | 0 | 0.055 | -0.006 | 25.460 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | C | 57 | ALA | 0 | -0.014 | 0.022 | 31.536 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | C | 58 | SER | 0 | -0.022 | -0.026 | 29.585 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | C | 59 | THR | 0 | -0.046 | -0.013 | 25.530 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | C | 60 | ARG | 1 | 0.881 | 0.959 | 25.999 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | C | 61 | GLU | -1 | -0.771 | -0.867 | 26.072 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | C | 62 | SER | 0 | -0.016 | -0.008 | 23.778 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | C | 63 | GLY | 0 | 0.020 | -0.005 | 25.628 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | C | 64 | VAL | 0 | -0.038 | 0.008 | 27.925 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | C | 65 | PRO | 0 | 0.004 | -0.008 | 28.518 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | C | 66 | ASP | -1 | -0.884 | -0.963 | 27.632 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | C | 67 | ARG | 1 | 0.858 | 0.925 | 29.629 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | C | 68 | PHE | 0 | -0.049 | -0.012 | 32.496 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | C | 69 | SER | 0 | 0.028 | 0.007 | 31.890 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | C | 70 | GLY | 0 | 0.051 | 0.041 | 33.134 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | C | 71 | SER | 0 | -0.016 | -0.018 | 33.480 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | C | 72 | GLY | 0 | 0.021 | 0.018 | 35.535 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | C | 73 | SER | 0 | 0.011 | -0.006 | 36.648 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | C | 74 | GLY | 0 | 0.056 | 0.038 | 38.467 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | C | 75 | THR | 0 | -0.016 | -0.014 | 41.110 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | C | 76 | ASP | -1 | -0.840 | -0.910 | 43.372 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | C | 77 | PHE | 0 | -0.004 | 0.003 | 37.296 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | C | 78 | THR | 0 | -0.002 | -0.018 | 39.251 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | C | 79 | LEU | 0 | -0.002 | 0.015 | 36.234 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | C | 80 | THR | 0 | -0.097 | -0.062 | 36.522 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | C | 81 | ILE | 0 | 0.046 | 0.008 | 36.775 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | C | 82 | SER | 0 | -0.005 | -0.012 | 35.480 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | C | 83 | SER | 0 | -0.006 | -0.008 | 37.052 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | C | 84 | LEU | 0 | -0.012 | 0.007 | 38.569 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | C | 85 | GLN | 0 | 0.032 | 0.010 | 38.298 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | C | 86 | ALA | 0 | 0.079 | 0.023 | 40.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | C | 87 | GLU | -1 | -0.941 | -0.971 | 36.871 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | C | 88 | ASP | -1 | -0.794 | -0.884 | 37.841 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | C | 89 | VAL | 0 | -0.017 | 0.022 | 40.531 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | C | 90 | ALA | 0 | -0.030 | -0.020 | 41.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | C | 91 | VAL | 0 | -0.015 | -0.003 | 43.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | C | 92 | TYR | 0 | -0.020 | -0.031 | 38.325 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | C | 93 | TYR | 0 | 0.009 | 0.020 | 41.295 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | C | 95 | GLN | 0 | 0.032 | 0.008 | 37.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | C | 96 | GLN | 0 | 0.038 | 0.034 | 38.724 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | C | 97 | TYR | 0 | -0.014 | -0.027 | 31.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | C | 98 | TYR | 0 | 0.047 | 0.023 | 36.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | C | 99 | SER | 0 | 0.028 | 0.012 | 38.589 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | C | 100 | THR | 0 | -0.076 | -0.015 | 40.180 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | C | 101 | PRO | 0 | 0.018 | -0.006 | 42.560 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | C | 102 | TYR | 0 | 0.036 | 0.002 | 35.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | C | 103 | THR | 0 | -0.016 | -0.014 | 42.341 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | C | 104 | PHE | 0 | -0.012 | -0.020 | 40.482 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | C | 105 | GLY | 0 | 0.043 | 0.032 | 44.154 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | C | 106 | GLN | 0 | -0.043 | -0.053 | 46.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | C | 107 | GLY | 0 | -0.026 | -0.009 | 45.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | C | 108 | THR | 0 | -0.016 | -0.010 | 45.264 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | C | 109 | LYS | 1 | 0.807 | 0.920 | 45.731 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | C | 110 | VAL | 0 | 0.008 | 0.000 | 43.205 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | C | 111 | GLU | -1 | -0.810 | -0.893 | 46.222 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | C | 112 | ILE | 0 | 0.020 | 0.017 | 44.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | C | 113 | LYS | 1 | 0.936 | 0.980 | 48.131 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | C | 114 | ARG | 1 | 0.867 | 0.929 | 50.381 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | C | 115 | THR | 0 | 0.007 | -0.005 | 52.751 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | C | 116 | VAL | 0 | -0.010 | 0.012 | 56.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | C | 117 | ALA | 0 | -0.015 | -0.003 | 58.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | C | 118 | ALA | 0 | 0.021 | 0.005 | 60.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | C | 119 | PRO | 0 | 0.011 | 0.022 | 62.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | C | 120 | SER | 0 | -0.032 | -0.013 | 63.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | C | 121 | VAL | 0 | -0.006 | -0.008 | 65.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | C | 122 | PHE | 0 | 0.009 | -0.001 | 65.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | C | 123 | ILE | 0 | 0.005 | 0.007 | 69.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | C | 124 | PHE | 0 | -0.014 | -0.005 | 66.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | C | 125 | PRO | 0 | 0.006 | 0.009 | 72.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | C | 126 | PRO | 0 | 0.001 | 0.007 | 74.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | C | 127 | SER | 0 | -0.001 | -0.009 | 73.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | C | 128 | ASP | -1 | -0.762 | -0.886 | 75.253 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | C | 129 | GLU | -1 | -0.851 | -0.909 | 72.910 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | C | 130 | GLN | 0 | -0.040 | -0.034 | 73.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | C | 131 | LEU | 0 | 0.054 | 0.039 | 75.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | C | 132 | LYS | 1 | 0.923 | 0.956 | 79.289 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | C | 133 | SER | 0 | -0.069 | -0.036 | 75.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | C | 134 | GLY | 0 | 0.027 | 0.024 | 77.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | C | 135 | THR | 0 | -0.066 | -0.038 | 75.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | C | 136 | ALA | 0 | 0.027 | 0.017 | 76.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | C | 137 | SER | 0 | 0.000 | 0.000 | 71.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | C | 138 | VAL | 0 | -0.028 | 0.005 | 73.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | C | 139 | VAL | 0 | 0.036 | 0.016 | 67.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | C | 200 | CYS | 0 | -0.055 | -0.010 | 68.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | C | 141 | LEU | 0 | -0.009 | 0.007 | 62.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | C | 142 | LEU | 0 | -0.017 | -0.016 | 63.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | C | 143 | ASN | 0 | 0.031 | -0.004 | 60.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | C | 144 | ASN | 0 | 0.004 | -0.019 | 56.547 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | C | 145 | PHE | 0 | 0.021 | 0.021 | 58.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | C | 146 | TYR | 0 | 0.056 | 0.035 | 52.828 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | C | 147 | PRO | 0 | 0.019 | -0.002 | 57.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | C | 148 | ARG | 1 | 0.845 | 0.875 | 53.163 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | C | 149 | GLU | -1 | -0.978 | -0.975 | 58.595 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | C | 150 | ALA | 0 | 0.046 | 0.002 | 61.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | C | 151 | LYS | 1 | 0.913 | 0.996 | 64.837 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | C | 152 | VAL | 0 | 0.019 | -0.007 | 66.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | C | 153 | GLN | 0 | -0.086 | -0.041 | 69.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | C | 154 | TRP | 0 | 0.016 | -0.006 | 70.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | C | 155 | LYS | 1 | 0.885 | 0.939 | 75.394 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | C | 156 | VAL | 0 | 0.002 | 0.004 | 79.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | C | 157 | ASP | -1 | -0.763 | -0.891 | 81.451 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | C | 158 | ASN | 0 | -0.048 | -0.033 | 82.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | C | 159 | ALA | 0 | 0.022 | 0.034 | 83.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | C | 160 | LEU | 0 | -0.017 | -0.022 | 78.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | C | 161 | GLN | 0 | 0.002 | 0.016 | 77.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | C | 162 | SER | 0 | 0.010 | -0.014 | 74.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | C | 163 | GLY | 0 | 0.017 | 0.012 | 73.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | C | 164 | ASN | 0 | -0.018 | -0.010 | 73.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | C | 165 | SER | 0 | -0.007 | -0.008 | 70.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | C | 166 | GLN | 0 | 0.015 | -0.004 | 66.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | C | 167 | GLU | -1 | -0.898 | -0.943 | 64.096 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | C | 168 | SER | 0 | 0.002 | 0.002 | 59.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | C | 169 | VAL | 0 | 0.000 | -0.011 | 57.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | C | 170 | THR | 0 | 0.004 | 0.013 | 54.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | C | 171 | GLU | -1 | -0.825 | -0.912 | 51.343 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | C | 172 | GLN | 0 | -0.072 | -0.035 | 48.989 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | C | 173 | ASP | -1 | -0.767 | -0.879 | 49.619 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | C | 174 | SER | 0 | -0.069 | -0.036 | 45.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | C | 175 | LYS | 1 | 0.901 | 0.948 | 46.709 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | C | 176 | ASP | -1 | -0.832 | -0.927 | 48.892 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | C | 177 | SER | 0 | -0.029 | -0.017 | 48.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | C | 178 | THR | 0 | -0.064 | -0.008 | 50.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | C | 179 | TYR | 0 | -0.037 | -0.039 | 52.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | C | 180 | SER | 0 | 0.058 | 0.024 | 56.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | C | 181 | LEU | 0 | -0.038 | -0.003 | 58.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | C | 182 | SER | 0 | 0.014 | 0.005 | 61.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | C | 183 | SER | 0 | 0.017 | 0.032 | 64.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | C | 184 | THR | 0 | -0.022 | -0.029 | 66.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | C | 185 | LEU | 0 | -0.014 | 0.020 | 69.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | C | 186 | THR | 0 | 0.002 | -0.014 | 72.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | C | 187 | LEU | 0 | -0.010 | -0.009 | 74.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | C | 188 | SER | 0 | 0.057 | 0.028 | 77.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | C | 189 | LYS | 1 | 0.844 | 0.909 | 80.364 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | C | 190 | ALA | 0 | 0.025 | 0.010 | 81.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | C | 191 | ASP | -1 | -0.835 | -0.928 | 82.231 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | C | 192 | TYR | 0 | 0.021 | 0.017 | 79.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | C | 193 | GLU | -1 | -0.824 | -0.894 | 82.445 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | C | 194 | LYS | 1 | 0.873 | 0.933 | 85.769 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | C | 195 | HIS | 0 | -0.031 | -0.004 | 84.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | C | 196 | LYS | 1 | 0.877 | 0.936 | 85.269 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | C | 197 | VAL | 0 | 0.042 | 0.052 | 82.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | C | 198 | TYR | 0 | -0.023 | -0.021 | 78.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | C | 199 | ALA | 0 | 0.013 | -0.021 | 77.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | C | 201 | GLU | -1 | -0.842 | -0.911 | 73.911 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | C | 202 | VAL | 0 | 0.027 | 0.011 | 67.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | C | 203 | THR | 0 | -0.035 | -0.021 | 69.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | C | 204 | HIS | 0 | 0.042 | 0.010 | 61.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | C | 205 | GLN | 0 | 0.056 | 0.027 | 61.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | C | 206 | GLY | 0 | -0.014 | -0.027 | 64.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | C | 207 | LEU | 0 | -0.080 | -0.028 | 64.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | C | 208 | SER | 0 | 0.030 | 0.023 | 68.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | C | 209 | SER | 0 | 0.004 | -0.008 | 71.326 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | C | 210 | PRO | 0 | -0.023 | -0.020 | 72.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | C | 211 | VAL | 0 | 0.013 | 0.025 | 70.832 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | C | 212 | THR | 0 | -0.017 | -0.017 | 72.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | C | 213 | LYS | 1 | 0.883 | 0.943 | 70.654 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | C | 214 | SER | 0 | 0.004 | -0.006 | 75.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | C | 215 | PHE | 0 | -0.024 | -0.010 | 76.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | C | 216 | ASN | 0 | 0.000 | -0.006 | 79.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | C | 217 | ARG | 1 | 0.788 | 0.878 | 82.272 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | C | 218 | GLY | 0 | -0.027 | -0.008 | 82.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | C | 219 | GLU | -1 | -0.865 | -0.920 | 80.966 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | D | 1 | GLN | 0 | -0.015 | -0.017 | 40.598 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | D | 2 | VAL | 0 | -0.052 | -0.027 | 41.473 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | D | 3 | GLN | 0 | -0.012 | 0.000 | 43.559 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | D | 4 | LEU | 0 | -0.017 | -0.016 | 46.965 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | D | 5 | VAL | 0 | 0.016 | 0.011 | 49.856 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | D | 6 | GLU | -1 | -0.754 | -0.892 | 52.533 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | D | 7 | SER | 0 | -0.039 | -0.026 | 55.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | D | 8 | GLY | 0 | 0.052 | 0.014 | 58.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | D | 9 | GLY | 0 | 0.008 | 0.021 | 61.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | D | 10 | GLY | 0 | 0.017 | 0.003 | 63.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | D | 11 | LEU | 0 | -0.036 | -0.011 | 67.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | D | 12 | MET | 0 | 0.004 | 0.001 | 70.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | D | 13 | GLN | 0 | 0.005 | 0.012 | 72.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | D | 14 | ALA | 0 | 0.013 | -0.012 | 74.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | D | 15 | GLY | 0 | -0.008 | 0.001 | 75.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | D | 16 | GLY | 0 | -0.009 | 0.010 | 73.122 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | D | 17 | SER | 0 | -0.075 | -0.069 | 67.872 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | D | 18 | LEU | 0 | 0.078 | 0.032 | 65.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | D | 19 | ARG | 1 | 0.858 | 0.941 | 58.021 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | D | 20 | LEU | 0 | 0.004 | 0.030 | 59.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | D | 21 | SER | 0 | -0.047 | -0.042 | 55.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | D | 96 | CYS | 0 | -0.055 | -0.003 | 52.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | D | 23 | ALA | 0 | -0.013 | 0.002 | 49.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | D | 24 | VAL | 0 | 0.031 | 0.010 | 44.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | D | 25 | SER | 0 | 0.006 | 0.010 | 43.469 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | D | 26 | GLY | 0 | 0.084 | 0.030 | 39.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | D | 27 | ARG | 1 | 0.832 | 0.906 | 36.852 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | D | 28 | THR | 0 | 0.033 | 0.024 | 39.019 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | D | 29 | PHE | 0 | -0.007 | -0.011 | 33.985 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | D | 30 | SER | 0 | -0.041 | -0.016 | 37.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | D | 31 | THR | 0 | -0.010 | 0.007 | 40.188 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | D | 32 | ALA | 0 | -0.011 | 0.016 | 43.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | D | 33 | ALA | 0 | -0.009 | -0.012 | 45.943 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | D | 34 | MET | 0 | -0.040 | 0.001 | 49.285 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | D | 35 | GLY | 0 | 0.024 | 0.016 | 51.560 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | D | 36 | TRP | 0 | -0.028 | -0.016 | 55.112 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | D | 37 | PHE | 0 | 0.005 | -0.015 | 55.872 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | D | 38 | ARG | 1 | 0.746 | 0.868 | 60.304 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | D | 39 | GLN | 0 | 0.033 | 0.006 | 63.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | D | 40 | ALA | 0 | 0.055 | 0.039 | 65.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | D | 41 | PRO | 0 | 0.014 | -0.005 | 68.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | D | 42 | GLY | 0 | 0.002 | 0.001 | 69.896 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | D | 43 | LYS | 1 | 0.850 | 0.928 | 69.995 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | D | 44 | GLU | -1 | -0.854 | -0.917 | 66.012 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | D | 45 | ARG | 1 | 0.897 | 0.953 | 58.090 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | D | 46 | GLU | -1 | -0.820 | -0.881 | 63.894 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | D | 47 | PHE | 0 | 0.008 | -0.012 | 57.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | D | 48 | VAL | 0 | -0.009 | -0.001 | 61.037 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | D | 49 | ALA | 0 | 0.019 | 0.002 | 59.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | D | 50 | ALA | 0 | 0.043 | 0.025 | 54.898 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | D | 51 | ILE | 0 | -0.085 | -0.029 | 52.361 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | D | 52 | ARG | 1 | 0.815 | 0.890 | 48.704 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | D | 53 | TRP | 0 | 0.021 | 0.003 | 44.292 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | D | 54 | SER | 0 | -0.025 | -0.022 | 45.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | D | 55 | GLY | 0 | 0.057 | 0.016 | 46.882 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | D | 56 | GLY | 0 | -0.035 | -0.022 | 49.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | D | 57 | SER | 0 | -0.022 | -0.009 | 52.297 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | D | 58 | ALA | 0 | 0.026 | -0.002 | 54.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | D | 59 | TYR | 0 | 0.005 | 0.004 | 57.401 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | D | 60 | TYR | 0 | 0.046 | 0.014 | 59.409 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | D | 61 | ALA | 0 | 0.035 | 0.018 | 62.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | D | 62 | ASP | -1 | -0.808 | -0.913 | 64.920 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | D | 63 | SER | 0 | 0.020 | 0.017 | 68.391 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | D | 64 | VAL | 0 | -0.008 | -0.006 | 64.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | D | 65 | LYS | 1 | 0.848 | 0.929 | 65.255 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | D | 66 | GLY | 0 | -0.008 | 0.002 | 67.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | D | 67 | ARG | 1 | 0.734 | 0.845 | 68.405 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | D | 68 | PHE | 0 | 0.010 | -0.012 | 63.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | D | 69 | THR | 0 | -0.031 | -0.013 | 60.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | D | 70 | ILE | 0 | -0.022 | 0.004 | 55.801 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | D | 71 | SER | 0 | -0.028 | -0.015 | 56.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | D | 72 | ARG | 1 | 0.881 | 0.952 | 49.055 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | D | 73 | ASP | -1 | -0.856 | -0.929 | 49.108 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | D | 74 | LYS | 1 | 0.939 | 0.949 | 43.240 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | D | 75 | ALA | 0 | -0.013 | 0.015 | 44.476 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | D | 76 | LYS | 1 | 0.955 | 0.984 | 44.454 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | D | 77 | ASN | 0 | -0.042 | -0.016 | 43.817 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | D | 78 | THR | 0 | 0.033 | 0.017 | 46.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | D | 79 | VAL | 0 | -0.022 | -0.010 | 50.543 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | D | 80 | TYR | 0 | -0.036 | -0.042 | 52.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | D | 81 | LEU | 0 | 0.031 | 0.020 | 56.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | D | 82 | GLN | 0 | -0.005 | 0.009 | 60.047 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | D | 83 | MET | 0 | -0.003 | -0.009 | 63.001 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | D | 84 | ASN | 0 | 0.081 | 0.044 | 66.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | D | 85 | SER | 0 | 0.019 | 0.010 | 69.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | D | 86 | LEU | 0 | -0.003 | 0.015 | 68.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | D | 87 | LYS | 1 | 0.908 | 0.931 | 72.242 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | D | 88 | TYR | 0 | 0.012 | -0.001 | 73.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | D | 89 | GLU | -1 | -0.797 | -0.888 | 71.396 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | D | 90 | ASP | -1 | -0.765 | -0.828 | 69.134 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | D | 91 | THR | 0 | 0.013 | 0.029 | 68.888 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | D | 92 | ALA | 0 | -0.019 | -0.012 | 66.533 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | D | 93 | VAL | 0 | 0.014 | 0.021 | 61.787 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | D | 94 | TYR | 0 | -0.036 | -0.045 | 61.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | D | 95 | TYR | 0 | -0.011 | -0.023 | 57.176 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | D | 97 | ALA | 0 | 0.015 | 0.007 | 52.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | D | 98 | ARG | 1 | 0.839 | 0.887 | 42.142 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | D | 99 | THR | 0 | -0.017 | -0.003 | 47.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | D | 100 | GLU | -1 | -0.723 | -0.861 | 41.643 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | D | 101 | ASN | 0 | -0.005 | 0.010 | 43.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | D | 102 | VAL | 0 | 0.027 | 0.021 | 43.756 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | D | 103 | ARG | 1 | 0.824 | 0.914 | 46.323 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | D | 104 | SER | 0 | 0.002 | -0.008 | 49.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | D | 105 | LEU | 0 | 0.035 | 0.015 | 50.646 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | D | 106 | LEU | 0 | 0.028 | 0.018 | 53.388 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | D | 107 | SER | 0 | 0.039 | 0.008 | 54.963 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | D | 108 | ASP | -1 | -0.777 | -0.872 | 53.455 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | D | 109 | TYR | 0 | -0.064 | -0.040 | 48.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | D | 110 | ALA | 0 | -0.004 | 0.015 | 54.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | D | 111 | THR | 0 | -0.038 | -0.023 | 57.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | D | 112 | TRP | 0 | -0.022 | -0.012 | 49.883 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | D | 113 | PRO | 0 | -0.009 | 0.001 | 51.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | D | 114 | TYR | 0 | -0.022 | -0.042 | 50.768 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | D | 115 | ASP | -1 | -0.848 | -0.922 | 46.480 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | D | 116 | TYR | 0 | -0.077 | -0.061 | 42.861 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | D | 117 | TRP | 0 | -0.012 | -0.016 | 48.966 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | D | 118 | GLY | 0 | 0.030 | 0.031 | 51.618 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | D | 119 | GLN | 0 | -0.047 | -0.037 | 52.699 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | D | 120 | GLY | 0 | -0.003 | 0.010 | 56.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | D | 121 | THR | 0 | -0.028 | -0.013 | 58.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | D | 122 | GLN | 0 | 0.014 | -0.001 | 61.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | D | 123 | VAL | 0 | -0.001 | 0.003 | 64.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | D | 124 | THR | 0 | 0.013 | -0.006 | 67.249 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | D | 125 | VAL | 0 | 0.004 | 0.015 | 71.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | D | 126 | SER | 0 | 0.041 | 0.009 | 73.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | D | 127 | SER | 0 | -0.051 | -0.017 | 76.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |