FMODB ID: R1RN8
Calculation Name: 6XC2-AHL-Xray232
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
ligand 3-letter code: NAG
PDB ID: 6XC2
Chain ID: AHL
UniProt ID: P0DTC2
Base Structure: X-ray
Registration Date: 2021-05-23
Reference: C. Watanabe, T. Honma et. al., Interaction energy analysis between SARS-CoV-2 spike protein and antibodiy, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20210516 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 621 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12850264.732583 |
---|---|
FMO2-HF: Nuclear repulsion | 12609952.079205 |
FMO2-HF: Total energy | -240312.653378 |
FMO2-MP2: Total energy | -241014.049911 |
3D Structure
Ligand structure
Ligand Interaction
SARS-CoV-2 spike protein and antibody binding energy (frag 1-191 : frag 192-621)
"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. |
-595.3444 | -553.3783 | 360.6178 | -152.0300 | -250.5539 | -0.1093 |
Interactive mode: IFIE and PIEDA for fragment #1(A:334:ASN )
Summations of interaction energy for
fragment #1(A:334:ASN )
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-10.924 | -4.492 | 1.699 | -3.204 | -4.926 | 0.02 |
Interaction energy analysis for fragmet #1(A:334:ASN )
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 361 | CYS | 0 | -0.066 | -0.004 | 2.580 | -5.179 | -1.103 | 1.047 | -2.313 | -2.810 | 0.008 |
4 | A | 337 | PRO | 0 | 0.024 | 0.026 | 6.046 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 338 | PHE | 0 | 0.037 | -0.002 | 8.269 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 339 | GLY | 0 | 0.029 | 0.015 | 10.791 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 340 | GLU | -1 | -0.877 | -0.935 | 10.247 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 341 | VAL | 0 | -0.042 | -0.017 | 13.114 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 342 | PHE | 0 | 0.012 | -0.013 | 15.089 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 343 | ASN | 0 | -0.005 | -0.005 | 16.330 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 344 | ALA | 0 | -0.006 | 0.022 | 17.604 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 345 | THR | 0 | 0.040 | 0.002 | 18.694 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 346 | ARG | 1 | 0.945 | 0.978 | 21.954 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 347 | PHE | 0 | 0.050 | 0.026 | 20.284 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 348 | ALA | 0 | -0.011 | 0.002 | 23.416 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 349 | SER | 0 | 0.006 | 0.002 | 24.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 350 | VAL | 0 | 0.011 | 0.015 | 27.644 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 351 | TYR | 0 | 0.015 | 0.012 | 28.421 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 352 | ALA | 0 | -0.040 | -0.016 | 27.236 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 353 | TRP | 0 | -0.072 | -0.017 | 21.686 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 354 | ASN | 0 | 0.001 | -0.002 | 18.628 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 355 | ARG | 1 | 0.842 | 0.913 | 17.880 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 356 | LYS | 1 | 0.865 | 0.934 | 11.022 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 357 | ARG | 1 | 0.927 | 0.957 | 11.889 | -0.557 | -0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 358 | ILE | 0 | -0.040 | -0.012 | 8.533 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 359 | SER | 0 | -0.009 | -0.028 | 7.891 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 360 | ASN | 0 | -0.002 | -0.013 | 5.503 | -0.726 | -0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 362 | VAL | 0 | 0.044 | 0.029 | 2.810 | -3.527 | -1.141 | 0.653 | -0.874 | -2.165 | 0.012 |
29 | A | 363 | ALA | 0 | 0.019 | 0.000 | 4.589 | -2.565 | -2.595 | -0.001 | -0.017 | 0.049 | 0.000 |
30 | A | 364 | ASP | -1 | -0.773 | -0.892 | 8.179 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 365 | TYR | 0 | 0.029 | -0.003 | 10.824 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 366 | SER | 0 | 0.009 | 0.019 | 14.270 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 367 | VAL | 0 | -0.027 | -0.022 | 12.157 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 368 | LEU | 0 | -0.050 | -0.011 | 14.231 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 369 | TYR | 0 | -0.038 | -0.064 | 17.061 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 370 | ASN | 0 | -0.040 | -0.021 | 19.457 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 371 | SER | 0 | -0.047 | 0.007 | 18.323 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 372 | ALA | 0 | 0.039 | 0.020 | 20.461 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 373 | SER | 0 | 0.007 | 0.008 | 22.273 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 374 | PHE | 0 | -0.045 | -0.030 | 19.452 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 375 | SER | 0 | 0.013 | 0.001 | 25.537 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 376 | THR | 0 | -0.065 | -0.038 | 27.107 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 377 | PHE | 0 | 0.045 | 0.024 | 19.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 378 | LYS | 1 | 0.924 | 0.980 | 25.134 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 432 | CYS | 0 | -0.103 | -0.035 | 19.541 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 380 | TYR | 0 | 0.028 | 0.003 | 23.678 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 381 | GLY | 0 | 0.073 | 0.032 | 23.496 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 382 | VAL | 0 | -0.016 | 0.003 | 18.687 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 383 | SER | 0 | 0.003 | -0.010 | 21.477 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 384 | PRO | 0 | 0.065 | 0.018 | 19.440 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 385 | THR | 0 | -0.027 | -0.018 | 18.187 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 386 | LYS | 1 | 0.959 | 0.984 | 18.627 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 387 | LEU | 0 | 0.018 | 0.018 | 14.165 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 388 | ASN | 0 | -0.046 | -0.021 | 12.711 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 389 | ASP | -1 | -0.771 | -0.866 | 12.558 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 390 | LEU | 0 | -0.003 | 0.017 | 12.935 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 525 | CYS | 0 | -0.033 | -0.016 | 6.753 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 392 | PHE | 0 | 0.048 | 0.020 | 11.178 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 393 | THR | 0 | 0.066 | 0.042 | 11.207 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 394 | ASN | 0 | -0.054 | -0.018 | 11.703 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 395 | VAL | 0 | 0.021 | 0.024 | 11.743 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 396 | TYR | 0 | -0.068 | -0.053 | 13.247 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 397 | ALA | 0 | 0.030 | 0.013 | 14.649 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 398 | ASP | -1 | -0.726 | -0.809 | 16.439 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 399 | SER | 0 | -0.012 | -0.002 | 19.030 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 400 | PHE | 0 | -0.031 | -0.035 | 21.001 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 401 | VAL | 0 | 0.015 | 0.019 | 24.607 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 402 | ILE | 0 | -0.016 | -0.003 | 27.613 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 403 | ARG | 1 | 0.843 | 0.911 | 30.866 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 404 | GLY | 0 | 0.063 | 0.035 | 33.117 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 405 | ASP | -1 | -0.842 | -0.931 | 34.098 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 406 | GLU | -1 | -0.847 | -0.914 | 33.652 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 407 | VAL | 0 | 0.017 | 0.014 | 28.934 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 408 | ARG | 1 | 0.813 | 0.903 | 30.751 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 409 | GLN | 0 | 0.022 | 0.012 | 33.086 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 410 | ILE | 0 | -0.021 | 0.009 | 26.384 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 411 | ALA | 0 | -0.009 | -0.028 | 28.714 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 412 | PRO | 0 | 0.010 | 0.033 | 27.922 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 413 | GLY | 0 | 0.007 | -0.003 | 30.633 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 414 | GLN | 0 | -0.125 | -0.058 | 33.232 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 415 | THR | 0 | 0.022 | 0.013 | 34.913 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 416 | GLY | 0 | -0.012 | -0.020 | 36.956 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 417 | LYS | 1 | 0.774 | 0.885 | 36.920 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 418 | ILE | 0 | 0.004 | 0.017 | 31.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 419 | ALA | 0 | 0.026 | 0.028 | 32.152 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 420 | ASP | -1 | -0.740 | -0.849 | 33.234 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 421 | TYR | 0 | -0.024 | -0.017 | 35.032 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 422 | ASN | 0 | -0.024 | -0.019 | 31.156 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 423 | TYR | 0 | 0.014 | -0.049 | 22.522 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 424 | LYS | 1 | 0.836 | 0.940 | 29.044 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 425 | LEU | 0 | 0.004 | 0.015 | 24.405 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 426 | PRO | 0 | -0.005 | 0.001 | 25.444 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 427 | ASP | -1 | -0.772 | -0.906 | 28.587 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 428 | ASP | -1 | -0.900 | -0.948 | 27.637 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 429 | PHE | 0 | -0.080 | -0.035 | 21.950 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 430 | THR | 0 | 0.040 | 0.027 | 20.858 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 431 | GLY | 0 | 0.000 | -0.017 | 19.786 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 433 | VAL | 0 | 0.009 | 0.011 | 21.028 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 434 | ILE | 0 | -0.034 | 0.000 | 19.051 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 435 | ALA | 0 | 0.012 | -0.003 | 23.021 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 436 | TRP | 0 | -0.017 | -0.020 | 20.411 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 437 | ASN | 0 | -0.017 | -0.005 | 26.920 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 438 | SER | 0 | 0.013 | -0.022 | 27.061 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 439 | ASN | 0 | 0.035 | 0.008 | 29.017 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 440 | ASN | 0 | -0.010 | -0.010 | 28.567 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 441 | LEU | 0 | -0.047 | -0.020 | 24.863 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 442 | ASP | -1 | -0.755 | -0.804 | 27.696 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 443 | SER | 0 | 0.006 | -0.008 | 30.558 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 444 | LYS | 1 | 0.891 | 0.949 | 33.043 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 445 | VAL | 0 | 0.006 | 0.023 | 36.342 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 446 | GLY | 0 | 0.016 | 0.016 | 38.825 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 447 | GLY | 0 | -0.016 | -0.016 | 40.526 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 448 | ASN | 0 | 0.047 | -0.014 | 38.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 449 | TYR | 0 | -0.058 | -0.004 | 29.306 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 450 | ASN | 0 | 0.022 | 0.031 | 33.711 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 451 | TYR | 0 | -0.027 | -0.032 | 26.856 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 452 | LEU | 0 | -0.003 | -0.003 | 31.925 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 453 | TYR | 0 | -0.042 | -0.040 | 32.083 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 454 | ARG | 1 | 0.797 | 0.874 | 33.765 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 455 | LEU | 0 | 0.003 | 0.026 | 36.211 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 456 | PHE | 0 | -0.002 | 0.006 | 39.505 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 457 | ARG | 1 | 0.776 | 0.849 | 33.860 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 458 | LYS | 1 | 0.905 | 0.949 | 39.694 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 459 | SER | 0 | -0.018 | 0.003 | 38.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 460 | ASN | 0 | 0.032 | -0.011 | 36.147 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 461 | LEU | 0 | -0.090 | -0.015 | 30.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 462 | LYS | 1 | 0.874 | 0.913 | 31.194 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 463 | PRO | 0 | 0.030 | -0.002 | 28.042 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 464 | PHE | 0 | -0.015 | -0.005 | 22.684 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 465 | GLU | -1 | -0.746 | -0.824 | 25.762 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 466 | ARG | 1 | 0.883 | 0.930 | 23.291 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 467 | ASP | -1 | -0.757 | -0.836 | 28.227 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 468 | ILE | 0 | 0.036 | 0.014 | 28.214 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 469 | SER | 0 | -0.042 | -0.034 | 31.482 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 470 | THR | 0 | 0.024 | -0.003 | 35.127 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 471 | GLU | -1 | -0.893 | -0.948 | 37.723 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 472 | ILE | 0 | -0.056 | -0.010 | 40.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 473 | TYR | 0 | -0.036 | -0.033 | 41.836 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 474 | GLN | 0 | 0.042 | 0.018 | 44.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 475 | ALA | 0 | 0.018 | 0.012 | 47.050 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 476 | GLY | 0 | 0.024 | 0.007 | 48.945 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 477 | SER | 0 | -0.020 | -0.013 | 51.578 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 478 | THR | 0 | 0.014 | 0.019 | 53.179 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 479 | PRO | 0 | -0.016 | -0.016 | 50.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 488 | CYS | 0 | 0.016 | 0.032 | 47.398 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 481 | ASN | 0 | -0.039 | -0.019 | 48.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 482 | GLY | 0 | 0.062 | 0.042 | 45.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 483 | VAL | 0 | -0.032 | -0.019 | 46.167 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 484 | GLU | -1 | -0.801 | -0.901 | 45.613 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 485 | GLY | 0 | -0.007 | -0.009 | 48.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 486 | PHE | 0 | -0.010 | -0.008 | 50.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 487 | ASN | 0 | -0.013 | -0.007 | 50.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 489 | TYR | 0 | 0.039 | 0.028 | 45.623 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 490 | PHE | 0 | 0.046 | 0.006 | 38.017 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 491 | PRO | 0 | -0.040 | -0.008 | 38.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 492 | LEU | 0 | -0.050 | -0.023 | 34.260 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 493 | GLN | 0 | 0.039 | 0.015 | 37.641 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 494 | SER | 0 | -0.013 | -0.039 | 36.173 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 495 | TYR | 0 | -0.040 | -0.043 | 32.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 496 | GLY | 0 | 0.029 | 0.022 | 36.608 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 497 | PHE | 0 | -0.020 | -0.011 | 32.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 498 | GLN | 0 | 0.024 | 0.017 | 36.818 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 499 | PRO | 0 | -0.002 | -0.009 | 36.732 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 500 | THR | 0 | 0.011 | 0.013 | 38.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 501 | ASN | 0 | -0.038 | 0.009 | 38.123 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 502 | GLY | 0 | 0.078 | 0.039 | 39.944 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 503 | VAL | 0 | 0.012 | -0.003 | 36.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 504 | GLY | 0 | 0.019 | 0.014 | 36.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 505 | TYR | 0 | -0.026 | -0.047 | 37.404 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 506 | GLN | 0 | -0.056 | -0.007 | 34.535 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 507 | PRO | 0 | 0.018 | 0.017 | 30.641 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 508 | TYR | 0 | -0.007 | -0.019 | 29.010 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 509 | ARG | 1 | 0.768 | 0.878 | 22.655 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 510 | VAL | 0 | -0.011 | -0.017 | 24.127 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 511 | VAL | 0 | 0.010 | -0.007 | 17.354 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 512 | VAL | 0 | -0.015 | -0.007 | 20.759 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 513 | LEU | 0 | -0.004 | 0.019 | 15.016 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 514 | SER | 0 | 0.004 | -0.005 | 17.463 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 515 | PHE | 0 | 0.012 | -0.003 | 13.712 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 516 | GLU | -1 | -0.839 | -0.907 | 15.601 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 517 | LEU | 0 | 0.009 | -0.005 | 15.951 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 518 | LEU | 0 | 0.002 | 0.006 | 17.204 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 519 | HIS | 0 | 0.003 | 0.001 | 18.233 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 520 | ALA | 0 | -0.014 | -0.006 | 16.263 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 521 | PRO | 0 | 0.024 | 0.000 | 12.476 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 522 | ALA | 0 | 0.013 | 0.009 | 10.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 523 | THR | 0 | -0.100 | -0.066 | 7.768 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 524 | VAL | 0 | 0.014 | 0.012 | 6.748 | 0.780 | 0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 526 | GLY | 0 | 0.045 | 0.030 | 7.556 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 527 | PRO | 0 | -0.063 | -0.030 | 7.681 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 528 | LYS | 1 | 0.793 | 0.889 | 8.757 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | L | 1 | ASP | -1 | -0.806 | -0.895 | 45.923 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | L | 2 | ILE | 0 | -0.052 | -0.037 | 42.818 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | L | 3 | VAL | 0 | 0.008 | 0.015 | 47.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | L | 4 | MET | 0 | 0.026 | 0.053 | 50.342 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | L | 5 | THR | 0 | -0.050 | -0.050 | 52.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | L | 6 | GLN | 0 | 0.004 | -0.016 | 56.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | L | 7 | SER | 0 | -0.030 | 0.014 | 58.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | L | 8 | PRO | 0 | 0.055 | 0.019 | 61.507 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | L | 9 | SER | 0 | 0.061 | 0.027 | 63.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | L | 10 | PHE | 0 | -0.003 | -0.002 | 65.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | L | 11 | LEU | 0 | 0.009 | 0.000 | 65.332 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | L | 12 | SER | 0 | 0.006 | 0.015 | 68.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | L | 13 | ALA | 0 | -0.015 | -0.008 | 70.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | L | 14 | SER | 0 | 0.010 | -0.021 | 72.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | L | 15 | VAL | 0 | -0.039 | -0.024 | 73.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | L | 16 | GLY | 0 | 0.036 | 0.025 | 73.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | L | 17 | ASP | -1 | -0.796 | -0.868 | 71.041 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | L | 18 | ARG | 1 | 0.957 | 0.987 | 61.292 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | L | 19 | VAL | 0 | -0.027 | -0.009 | 65.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | L | 20 | THR | 0 | -0.022 | -0.038 | 60.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | L | 21 | ILE | 0 | -0.019 | -0.003 | 59.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | L | 22 | THR | 0 | 0.024 | 0.027 | 56.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | L | 88 | CYS | 0 | -0.062 | -0.020 | 53.821 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | L | 24 | ARG | 1 | 0.837 | 0.905 | 52.685 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | L | 25 | ALA | 0 | 0.053 | 0.020 | 48.340 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | L | 26 | SER | 0 | -0.051 | -0.025 | 48.906 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | L | 27 | GLN | 0 | 0.013 | 0.005 | 42.404 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | L | 28 | GLY | 0 | -0.008 | 0.003 | 43.880 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | L | 29 | ILE | 0 | 0.012 | 0.004 | 42.775 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | L | 30 | SER | 0 | -0.021 | -0.045 | 41.106 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | L | 31 | SER | 0 | 0.077 | 0.030 | 43.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | L | 32 | TYR | 0 | -0.018 | 0.011 | 38.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | L | 33 | LEU | 0 | -0.020 | -0.017 | 45.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | L | 34 | ALA | 0 | 0.006 | 0.017 | 48.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | L | 35 | TRP | 0 | 0.014 | -0.005 | 51.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | L | 36 | TYR | 0 | 0.006 | -0.015 | 52.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | L | 37 | GLN | 0 | 0.002 | 0.009 | 58.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | L | 38 | GLN | 0 | -0.008 | -0.015 | 62.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | L | 39 | LYS | 1 | 0.828 | 0.896 | 64.640 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | L | 40 | PRO | 0 | 0.048 | 0.005 | 68.263 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | L | 41 | GLY | 0 | 0.013 | 0.018 | 69.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | L | 42 | LYS | 1 | 0.860 | 0.945 | 64.947 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | L | 43 | ALA | 0 | 0.085 | 0.037 | 62.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | L | 44 | PRO | 0 | -0.064 | -0.031 | 59.345 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | L | 45 | LYS | 1 | 0.866 | 0.947 | 60.012 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | L | 46 | LEU | 0 | 0.008 | 0.020 | 53.030 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | L | 47 | LEU | 0 | -0.057 | -0.036 | 57.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | L | 48 | ILE | 0 | 0.002 | 0.004 | 52.802 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | L | 49 | TYR | 0 | 0.048 | 0.028 | 48.110 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | L | 50 | ALA | 0 | 0.059 | 0.026 | 46.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | L | 51 | ALA | 0 | -0.037 | -0.026 | 47.697 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | L | 52 | SER | 0 | -0.079 | -0.031 | 49.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | L | 53 | THR | 0 | -0.017 | 0.006 | 49.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | L | 54 | LEU | 0 | -0.024 | -0.010 | 51.829 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | L | 55 | GLN | 0 | 0.055 | 0.025 | 54.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | L | 56 | SER | 0 | -0.005 | -0.002 | 55.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | L | 57 | GLY | 0 | 0.017 | 0.009 | 57.052 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | L | 58 | VAL | 0 | -0.041 | -0.018 | 58.563 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | L | 59 | PRO | 0 | 0.018 | 0.012 | 61.402 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | L | 60 | SER | 0 | 0.055 | 0.015 | 61.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | L | 61 | ARG | 1 | 0.759 | 0.855 | 62.112 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | L | 62 | PHE | 0 | -0.028 | -0.011 | 60.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | L | 63 | SER | 0 | 0.006 | -0.003 | 57.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | L | 64 | GLY | 0 | 0.020 | 0.005 | 54.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | L | 65 | SER | 0 | -0.031 | -0.020 | 52.555 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | L | 66 | GLY | 0 | 0.067 | 0.037 | 50.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | L | 67 | SER | 0 | 0.022 | -0.025 | 44.509 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | L | 68 | GLY | 0 | -0.029 | 0.004 | 44.839 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | L | 69 | THR | 0 | -0.017 | -0.015 | 45.848 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | L | 70 | GLU | -1 | -0.828 | -0.902 | 48.582 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | L | 71 | PHE | 0 | 0.002 | 0.002 | 47.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | L | 72 | THR | 0 | 0.002 | 0.000 | 53.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | L | 73 | LEU | 0 | 0.008 | 0.037 | 56.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | L | 74 | THR | 0 | -0.026 | -0.028 | 58.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | L | 75 | ILE | 0 | -0.011 | 0.015 | 61.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | L | 76 | SER | 0 | -0.012 | -0.019 | 64.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | L | 77 | SER | 0 | -0.020 | -0.024 | 65.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | L | 78 | LEU | 0 | -0.018 | 0.012 | 68.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | L | 79 | GLN | 0 | 0.024 | -0.006 | 69.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | L | 80 | PRO | 0 | 0.053 | 0.009 | 71.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | L | 81 | GLU | -1 | -0.857 | -0.913 | 69.270 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | L | 82 | ASP | -1 | -0.782 | -0.858 | 67.374 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | L | 83 | PHE | 0 | 0.023 | 0.037 | 68.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | L | 84 | ALA | 0 | -0.015 | 0.001 | 66.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | L | 85 | THR | 0 | 0.003 | 0.008 | 63.595 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | L | 86 | TYR | 0 | -0.005 | -0.019 | 61.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | L | 87 | TYR | 0 | -0.001 | 0.008 | 57.760 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | L | 89 | GLN | 0 | 0.007 | 0.018 | 50.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | L | 90 | GLN | 0 | 0.020 | -0.014 | 46.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | L | 91 | LEU | 0 | 0.001 | -0.001 | 45.505 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | L | 92 | ASN | 0 | 0.007 | -0.010 | 40.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | L | 93 | SER | 0 | -0.015 | 0.022 | 42.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | L | 94 | TYR | 0 | 0.035 | -0.015 | 40.163 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | L | 95 | PRO | 0 | -0.004 | 0.024 | 42.485 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | L | 96 | PRO | 0 | 0.024 | 0.004 | 44.859 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | L | 97 | LYS | 1 | 0.852 | 0.946 | 42.466 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | L | 98 | PHE | 0 | 0.018 | -0.001 | 46.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | L | 99 | THR | 0 | -0.040 | -0.015 | 48.547 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | L | 100 | PHE | 0 | 0.019 | -0.008 | 50.888 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | L | 101 | GLY | 0 | 0.034 | 0.025 | 54.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | L | 102 | PRO | 0 | -0.062 | -0.042 | 56.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | L | 103 | GLY | 0 | 0.022 | 0.018 | 59.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | L | 104 | THR | 0 | -0.056 | -0.039 | 61.486 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | L | 105 | LYS | 1 | 0.779 | 0.887 | 63.713 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | L | 106 | VAL | 0 | -0.005 | 0.005 | 66.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | L | 107 | GLU | -1 | -0.801 | -0.859 | 68.832 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | L | 108 | ILE | 0 | 0.028 | 0.011 | 72.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | L | 109 | LYS | 1 | 0.924 | 0.975 | 74.516 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | L | 110 | ARG | 1 | 0.847 | 0.918 | 76.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | L | 111 | THR | 0 | 0.004 | -0.002 | 80.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | L | 112 | VAL | 0 | 0.000 | 0.018 | 80.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | L | 113 | ALA | 0 | -0.015 | -0.007 | 83.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | L | 114 | ALA | 0 | 0.040 | 0.019 | 84.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | L | 115 | PRO | 0 | -0.013 | 0.004 | 84.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | L | 116 | SER | 0 | 0.024 | 0.012 | 86.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | L | 117 | VAL | 0 | -0.017 | -0.006 | 87.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | L | 118 | PHE | 0 | -0.021 | -0.018 | 89.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | L | 119 | ILE | 0 | 0.010 | 0.002 | 89.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | L | 120 | PHE | 0 | -0.013 | -0.013 | 89.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | L | 121 | PRO | 0 | 0.020 | 0.017 | 91.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | L | 122 | PRO | 0 | -0.002 | 0.011 | 90.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | L | 123 | SER | 0 | 0.040 | 0.022 | 92.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | L | 124 | ASP | -1 | -0.743 | -0.887 | 95.005 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | L | 125 | GLU | -1 | -0.906 | -0.955 | 95.454 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | L | 126 | GLN | 0 | 0.027 | 0.015 | 87.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | L | 127 | LEU | 0 | 0.014 | 0.014 | 92.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | L | 128 | LYS | 1 | 0.919 | 0.971 | 94.663 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | L | 129 | SER | 0 | -0.067 | -0.031 | 91.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | L | 130 | GLY | 0 | 0.049 | 0.022 | 90.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | L | 131 | THR | 0 | -0.050 | -0.023 | 86.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | L | 132 | ALA | 0 | -0.003 | -0.008 | 88.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | L | 133 | SER | 0 | -0.009 | -0.020 | 85.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | L | 134 | VAL | 0 | -0.030 | 0.005 | 87.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | L | 135 | VAL | 0 | 0.008 | 0.008 | 85.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | L | 196 | CYS | 0 | -0.071 | -0.025 | 85.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | L | 137 | LEU | 0 | -0.012 | 0.004 | 85.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | L | 138 | LEU | 0 | 0.010 | 0.014 | 82.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | L | 139 | ASN | 0 | 0.032 | -0.011 | 84.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | L | 140 | ASN | 0 | 0.008 | -0.010 | 85.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | L | 141 | PHE | 0 | 0.001 | 0.018 | 79.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | L | 142 | TYR | 0 | 0.056 | 0.004 | 75.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | L | 143 | PRO | 0 | -0.005 | 0.008 | 76.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | L | 144 | ARG | 1 | 0.850 | 0.882 | 72.861 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | L | 145 | GLU | -1 | -0.900 | -0.965 | 73.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | L | 146 | ALA | 0 | -0.033 | -0.004 | 76.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | L | 147 | LYS | 1 | 0.903 | 0.949 | 77.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | L | 148 | VAL | 0 | 0.030 | 0.012 | 78.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | L | 149 | GLN | 0 | -0.037 | -0.031 | 80.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | L | 150 | TRP | 0 | 0.014 | -0.003 | 81.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | L | 151 | LYS | 1 | 0.819 | 0.904 | 84.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | L | 152 | VAL | 0 | -0.004 | -0.003 | 86.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | L | 153 | ASP | -1 | -0.760 | -0.873 | 88.954 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | L | 154 | ASN | 0 | -0.035 | -0.026 | 89.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | L | 155 | ALA | 0 | 0.048 | 0.042 | 85.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | L | 156 | LEU | 0 | 0.006 | -0.002 | 81.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | L | 157 | GLN | 0 | -0.041 | -0.016 | 81.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | L | 158 | SER | 0 | 0.019 | 0.000 | 75.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | L | 159 | GLY | 0 | -0.006 | 0.009 | 75.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | L | 160 | ASN | 0 | 0.004 | -0.007 | 76.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | L | 161 | SER | 0 | 0.024 | 0.009 | 78.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | L | 162 | GLN | 0 | -0.068 | -0.036 | 74.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | L | 163 | GLU | -1 | -0.811 | -0.894 | 76.456 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | L | 164 | SER | 0 | -0.025 | -0.031 | 76.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | L | 165 | VAL | 0 | -0.002 | -0.001 | 75.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | L | 166 | THR | 0 | 0.004 | 0.000 | 76.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | L | 167 | GLU | -1 | -0.815 | -0.904 | 72.971 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | L | 168 | GLN | 0 | -0.014 | -0.013 | 76.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | L | 169 | ASP | -1 | -0.761 | -0.873 | 78.190 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | L | 170 | SER | 0 | -0.072 | -0.043 | 80.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | L | 171 | LYS | 1 | 0.855 | 0.925 | 81.980 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | L | 172 | ASP | -1 | -0.747 | -0.836 | 84.752 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | L | 173 | SER | 0 | -0.043 | -0.010 | 79.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | L | 174 | THR | 0 | -0.099 | -0.059 | 80.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | L | 175 | TYR | 0 | -0.055 | -0.063 | 74.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | L | 176 | SER | 0 | 0.056 | 0.032 | 80.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | L | 177 | LEU | 0 | -0.044 | -0.006 | 78.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | L | 178 | SER | 0 | -0.015 | 0.004 | 81.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | L | 179 | SER | 0 | 0.011 | -0.026 | 80.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | L | 180 | THR | 0 | 0.008 | -0.012 | 81.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | L | 181 | LEU | 0 | 0.005 | 0.020 | 82.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | L | 182 | THR | 0 | -0.023 | -0.011 | 82.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | L | 183 | LEU | 0 | -0.022 | 0.000 | 83.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | L | 184 | SER | 0 | 0.064 | 0.034 | 85.860 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | L | 185 | LYS | 1 | 0.827 | 0.901 | 88.093 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | L | 186 | ALA | 0 | 0.051 | 0.023 | 90.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | L | 187 | ASP | -1 | -0.839 | -0.918 | 87.882 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | L | 188 | TYR | 0 | 0.007 | -0.006 | 89.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | L | 189 | GLU | -1 | -0.812 | -0.915 | 91.667 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | L | 190 | LYS | 1 | 0.805 | 0.899 | 88.228 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | L | 191 | HIS | 1 | 0.859 | 0.940 | 88.570 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | L | 192 | LYS | 1 | 0.847 | 0.925 | 93.425 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | L | 193 | VAL | 0 | 0.020 | 0.019 | 93.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | L | 194 | TYR | 0 | -0.011 | -0.015 | 89.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | L | 195 | ALA | 0 | 0.008 | -0.015 | 89.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | L | 197 | GLU | -1 | -0.808 | -0.876 | 84.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | L | 198 | VAL | 0 | 0.027 | 0.002 | 83.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | L | 199 | THR | 0 | -0.018 | -0.009 | 80.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | L | 200 | HIS | 0 | 0.030 | -0.001 | 80.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | L | 201 | GLN | 0 | 0.034 | 0.015 | 76.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | L | 202 | GLY | 0 | 0.010 | 0.001 | 81.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | L | 203 | LEU | 0 | -0.078 | -0.033 | 84.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | L | 204 | SER | 0 | 0.002 | 0.003 | 85.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | L | 205 | SER | 0 | 0.034 | 0.008 | 87.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | L | 206 | PRO | 0 | -0.022 | -0.010 | 84.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | L | 207 | VAL | 0 | 0.010 | 0.018 | 86.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | L | 208 | THR | 0 | 0.006 | 0.004 | 88.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | L | 209 | LYS | 1 | 0.769 | 0.890 | 90.148 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | L | 210 | SER | 0 | 0.002 | -0.016 | 91.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | L | 211 | PHE | 0 | -0.020 | -0.007 | 92.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | L | 212 | ASN | 0 | -0.005 | -0.014 | 95.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | L | 213 | ARG | 1 | 0.844 | 0.926 | 95.167 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | L | 214 | GLY | 0 | 0.009 | -0.003 | 97.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | L | 215 | GLU | -1 | -0.837 | -0.883 | 100.597 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | H | 1 | GLU | -1 | -0.903 | -0.960 | 62.870 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | H | 2 | VAL | 0 | -0.045 | -0.007 | 58.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | H | 3 | GLN | 0 | -0.042 | -0.023 | 60.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | H | 4 | LEU | 0 | 0.003 | 0.004 | 56.021 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | H | 5 | VAL | 0 | 0.021 | 0.007 | 60.309 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | H | 6 | GLU | -1 | -0.810 | -0.903 | 61.013 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | H | 7 | SER | 0 | -0.033 | -0.013 | 62.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | H | 8 | GLY | 0 | 0.039 | 0.009 | 63.588 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | H | 9 | GLY | 0 | 0.013 | 0.014 | 65.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | H | 10 | GLY | 0 | -0.009 | -0.013 | 66.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | H | 11 | LEU | 0 | -0.050 | -0.023 | 68.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | H | 12 | ILE | 0 | -0.011 | 0.006 | 65.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | H | 13 | GLN | 0 | 0.031 | 0.009 | 69.101 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | H | 14 | PRO | 0 | 0.004 | -0.012 | 66.047 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | H | 15 | GLY | 0 | -0.039 | -0.010 | 63.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | H | 16 | GLY | 0 | 0.007 | 0.007 | 63.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | H | 17 | SER | 0 | -0.047 | -0.031 | 61.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | H | 18 | LEU | 0 | 0.010 | 0.011 | 62.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | H | 19 | ARG | 1 | 0.906 | 0.952 | 59.274 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | H | 20 | LEU | 0 | 0.009 | 0.027 | 59.435 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | H | 21 | SER | 0 | -0.006 | -0.018 | 59.467 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | H | 92 | CYS | 0 | -0.064 | -0.016 | 56.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | H | 23 | ALA | 0 | 0.044 | 0.050 | 58.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | H | 24 | ALA | 0 | 0.027 | 0.006 | 56.485 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | H | 25 | SER | 0 | -0.004 | -0.010 | 58.479 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | H | 26 | GLY | 0 | 0.040 | 0.024 | 57.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | H | 27 | LEU | 0 | -0.013 | -0.010 | 52.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | H | 28 | THR | 0 | 0.034 | 0.012 | 50.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | H | 29 | VAL | 0 | -0.002 | 0.007 | 50.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | H | 30 | SER | 0 | -0.033 | -0.026 | 48.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | H | 31 | SER | 0 | -0.041 | -0.015 | 46.153 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | H | 32 | ASN | 0 | 0.036 | 0.004 | 46.906 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | H | 33 | TYR | 0 | -0.043 | -0.010 | 40.822 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | H | 34 | MET | 0 | -0.016 | 0.004 | 47.099 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | H | 35 | SER | 0 | -0.048 | -0.041 | 50.125 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | H | 36 | TRP | 0 | 0.044 | 0.017 | 51.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | H | 37 | VAL | 0 | -0.009 | -0.007 | 53.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | H | 38 | ARG | 1 | 0.755 | 0.847 | 56.195 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | H | 39 | GLN | 0 | 0.009 | 0.003 | 59.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | H | 40 | ALA | 0 | 0.042 | 0.033 | 61.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | H | 41 | PRO | 0 | 0.013 | -0.003 | 64.157 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | H | 42 | GLY | 0 | 0.017 | 0.006 | 67.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | H | 43 | LYS | 1 | 0.852 | 0.935 | 62.618 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | H | 44 | GLY | 0 | 0.094 | 0.043 | 60.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | H | 45 | LEU | 0 | -0.048 | -0.012 | 57.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | H | 46 | GLU | -1 | -0.795 | -0.870 | 55.098 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | H | 47 | TRP | 0 | -0.017 | 0.003 | 47.172 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | H | 48 | VAL | 0 | 0.000 | 0.007 | 52.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | H | 49 | SER | 0 | 0.005 | -0.032 | 49.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | H | 50 | VAL | 0 | -0.021 | -0.015 | 45.817 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | H | 51 | ILE | 0 | -0.005 | 0.011 | 46.482 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | H | 52 | TYR | 0 | 0.038 | 0.001 | 39.560 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | H | 53 | SER | 0 | -0.016 | -0.001 | 42.972 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | H | 54 | GLY | 0 | 0.009 | 0.022 | 40.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | H | 55 | GLY | 0 | 0.004 | 0.002 | 41.449 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | H | 56 | SER | 0 | -0.021 | -0.026 | 39.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | H | 57 | THR | 0 | -0.029 | -0.009 | 42.320 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | H | 58 | PHE | 0 | 0.004 | 0.004 | 39.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | H | 59 | TYR | 0 | 0.020 | 0.019 | 45.788 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | H | 60 | ALA | 0 | 0.060 | 0.041 | 47.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | H | 61 | ASP | -1 | -0.815 | -0.914 | 47.649 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | H | 62 | SER | 0 | -0.024 | 0.012 | 50.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | H | 63 | VAL | 0 | 0.020 | -0.004 | 52.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | H | 64 | LYS | 1 | 0.840 | 0.909 | 45.238 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | H | 65 | GLY | 0 | -0.010 | 0.007 | 50.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | H | 66 | ARG | 1 | 0.729 | 0.840 | 51.206 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | H | 67 | PHE | 0 | 0.006 | -0.009 | 53.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | H | 68 | THR | 0 | -0.040 | -0.027 | 50.604 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | H | 69 | ILE | 0 | -0.018 | 0.007 | 49.425 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | H | 70 | SER | 0 | -0.006 | -0.008 | 50.630 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | H | 71 | ARG | 1 | 0.846 | 0.904 | 45.333 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | H | 72 | ASP | -1 | -0.749 | -0.821 | 52.747 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | H | 73 | ASN | 0 | 0.034 | -0.006 | 48.566 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | H | 74 | SER | 0 | -0.025 | -0.030 | 53.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | H | 75 | LYS | 1 | 0.857 | 0.920 | 56.268 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | H | 76 | ASN | 0 | -0.015 | -0.001 | 54.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | H | 77 | THR | 0 | 0.006 | -0.006 | 56.101 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | H | 78 | LEU | 0 | -0.021 | -0.010 | 52.261 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | H | 79 | TYR | 0 | -0.063 | -0.070 | 54.754 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | H | 80 | LEU | 0 | 0.012 | -0.004 | 54.019 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | H | 81 | GLN | 0 | -0.001 | 0.005 | 55.752 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | H | 82 | MET | 0 | -0.028 | -0.011 | 56.307 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | H | 82 | ASN | 0 | 0.060 | 0.016 | 56.062 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | H | 82 | SER | 0 | 0.002 | 0.002 | 58.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | H | 82 | LEU | 0 | -0.004 | 0.016 | 60.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | H | 83 | ARG | 1 | 0.855 | 0.881 | 56.653 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | H | 84 | ALA | 0 | 0.067 | 0.025 | 63.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | H | 85 | GLU | -1 | -0.819 | -0.867 | 58.527 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | H | 86 | ASP | -1 | -0.753 | -0.834 | 59.522 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | H | 87 | THR | 0 | 0.001 | 0.011 | 62.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | H | 88 | ALA | 0 | -0.002 | -0.006 | 62.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | H | 89 | VAL | 0 | -0.013 | 0.011 | 63.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | H | 90 | TYR | 0 | -0.016 | -0.040 | 58.426 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | H | 91 | TYR | 0 | 0.010 | 0.022 | 59.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | H | 93 | ALA | 0 | 0.033 | 0.003 | 54.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | H | 94 | ARG | 1 | 0.758 | 0.854 | 49.825 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | H | 95 | ASP | -1 | -0.830 | -0.937 | 46.226 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | H | 96 | LEU | 0 | -0.017 | -0.014 | 46.350 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | H | 97 | ASP | -1 | -0.696 | -0.825 | 41.382 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | H | 98 | VAL | 0 | -0.016 | -0.004 | 43.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | H | 99 | TYR | 0 | -0.039 | -0.038 | 45.516 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | H | 100 | GLY | 0 | -0.010 | 0.002 | 48.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | H | 101 | LEU | 0 | -0.017 | -0.012 | 50.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | H | 102 | ASP | -1 | -0.736 | -0.869 | 52.519 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | H | 103 | VAL | 0 | -0.037 | -0.012 | 54.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | H | 104 | TRP | 0 | -0.034 | -0.034 | 55.860 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | H | 105 | GLY | 0 | 0.028 | 0.024 | 58.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | H | 106 | GLN | 0 | -0.037 | -0.046 | 61.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | H | 107 | GLY | 0 | 0.012 | 0.001 | 63.109 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | H | 108 | THR | 0 | -0.027 | -0.006 | 62.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | H | 109 | THR | 0 | 0.000 | -0.014 | 64.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | H | 110 | VAL | 0 | 0.007 | 0.017 | 62.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | H | 111 | THR | 0 | -0.032 | -0.017 | 66.107 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | H | 112 | VAL | 0 | 0.025 | 0.011 | 64.360 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | H | 113 | SER | 0 | 0.024 | 0.004 | 67.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | H | 114 | SER | 0 | 0.004 | -0.005 | 70.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | H | 115 | ALA | 0 | -0.029 | 0.001 | 72.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | H | 116 | SER | 0 | -0.001 | 0.001 | 75.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | H | 117 | THR | 0 | -0.011 | -0.017 | 77.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | H | 118 | LYS | 1 | 0.824 | 0.919 | 79.350 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | H | 119 | GLY | 0 | 0.085 | 0.041 | 82.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | H | 120 | PRO | 0 | -0.060 | -0.017 | 84.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | H | 121 | SER | 0 | 0.009 | 0.010 | 85.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | H | 122 | VAL | 0 | -0.003 | -0.002 | 87.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | H | 123 | PHE | 0 | 0.005 | -0.006 | 88.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | H | 124 | PRO | 0 | 0.036 | 0.020 | 91.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | H | 125 | LEU | 0 | -0.036 | -0.011 | 88.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | H | 126 | ALA | 0 | 0.039 | 0.011 | 93.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | H | 127 | PRO | 0 | 0.035 | 0.016 | 96.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | H | 128 | SER | 0 | -0.025 | -0.007 | 97.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | H | 129 | SER | 0 | 0.066 | 0.035 | 99.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | H | 130 | LYS | 1 | 0.775 | 0.907 | 94.051 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | H | 131 | SER | 0 | 0.049 | 0.009 | 94.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | H | 132 | THR | 0 | 0.029 | 0.036 | 93.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | H | 133 | SER | 0 | -0.009 | -0.012 | 96.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | H | 134 | GLY | 0 | 0.050 | 0.030 | 98.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | H | 135 | GLY | 0 | 0.029 | 0.020 | 98.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | H | 136 | THR | 0 | -0.048 | -0.012 | 95.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | H | 137 | ALA | 0 | 0.024 | 0.032 | 96.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | H | 138 | ALA | 0 | 0.030 | 0.018 | 92.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | H | 139 | LEU | 0 | -0.028 | -0.015 | 94.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | H | 140 | GLY | 0 | 0.042 | 0.001 | 91.004 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | H | 197 | CYS | 0 | -0.057 | 0.008 | 90.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | H | 142 | LEU | 0 | 0.013 | 0.026 | 85.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | H | 143 | VAL | 0 | -0.016 | -0.012 | 84.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | H | 144 | LYS | 1 | 0.854 | 0.891 | 83.022 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | H | 145 | ASP | -1 | -0.800 | -0.872 | 81.831 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | H | 146 | TYR | 0 | -0.023 | -0.031 | 79.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | H | 147 | PHE | 0 | 0.039 | 0.018 | 72.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | H | 148 | PRO | 0 | 0.029 | 0.024 | 74.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | H | 149 | GLU | -1 | -0.780 | -0.876 | 74.834 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | H | 150 | PRO | 0 | -0.035 | -0.017 | 76.191 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | H | 151 | VAL | 0 | -0.002 | -0.009 | 78.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | H | 152 | THR | 0 | -0.036 | -0.001 | 81.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | H | 153 | VAL | 0 | 0.005 | -0.013 | 83.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | H | 154 | SER | 0 | 0.019 | 0.019 | 86.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | H | 155 | TRP | 0 | 0.013 | 0.002 | 89.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | H | 156 | ASN | 0 | 0.005 | -0.012 | 93.232 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | H | 157 | SER | 0 | -0.021 | -0.017 | 94.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | H | 158 | GLY | 0 | -0.001 | 0.006 | 92.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | H | 159 | ALA | 0 | -0.043 | -0.016 | 93.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | H | 160 | LEU | 0 | -0.031 | -0.015 | 93.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | H | 161 | THR | 0 | 0.022 | 0.000 | 89.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | H | 162 | SER | 0 | 0.017 | 0.005 | 90.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | H | 163 | GLY | 0 | 0.050 | 0.020 | 90.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | H | 164 | VAL | 0 | -0.049 | -0.017 | 87.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | H | 165 | HIS | 0 | -0.024 | -0.010 | 83.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | H | 166 | THR | 0 | 0.002 | 0.000 | 82.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | H | 167 | PHE | 0 | -0.035 | -0.017 | 80.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | H | 168 | PRO | 0 | 0.023 | 0.010 | 75.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | H | 169 | ALA | 0 | 0.018 | 0.036 | 76.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | H | 170 | VAL | 0 | -0.023 | -0.008 | 75.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | H | 171 | LEU | 0 | -0.013 | -0.004 | 71.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | H | 172 | GLN | 0 | -0.004 | 0.002 | 74.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | H | 173 | SER | 0 | 0.018 | -0.002 | 74.428 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | H | 174 | SER | 0 | -0.007 | -0.002 | 75.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | H | 175 | GLY | 0 | 0.022 | 0.015 | 74.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | H | 176 | LEU | 0 | -0.040 | -0.008 | 74.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | H | 177 | TYR | 0 | 0.015 | 0.003 | 72.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | H | 178 | SER | 0 | -0.008 | -0.009 | 78.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | H | 179 | LEU | 0 | 0.006 | 0.020 | 79.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | H | 180 | SER | 0 | 0.025 | 0.010 | 82.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | H | 181 | SER | 0 | -0.007 | -0.010 | 84.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | H | 182 | VAL | 0 | 0.007 | -0.003 | 87.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | H | 183 | VAL | 0 | 0.024 | 0.011 | 89.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | H | 184 | THR | 0 | -0.010 | 0.010 | 91.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | H | 185 | VAL | 0 | -0.024 | -0.015 | 93.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | H | 186 | PRO | 0 | 0.058 | 0.016 | 97.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | H | 187 | SER | 0 | 0.006 | -0.035 | 100.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | H | 188 | SER | 0 | -0.005 | 0.002 | 102.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | H | 189 | SER | 0 | 0.026 | 0.005 | 101.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | H | 190 | LEU | 0 | -0.024 | -0.004 | 99.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | H | 191 | GLY | 0 | 0.000 | 0.006 | 103.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | H | 192 | THR | 0 | -0.045 | -0.022 | 105.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | H | 193 | GLN | 0 | -0.005 | 0.011 | 101.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | H | 194 | THR | 0 | -0.006 | 0.002 | 101.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | H | 195 | TYR | 0 | 0.027 | 0.009 | 97.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | H | 196 | ILE | 0 | 0.027 | -0.003 | 96.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | H | 198 | ASN | 0 | -0.027 | -0.040 | 91.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | H | 199 | VAL | 0 | 0.031 | 0.020 | 86.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | H | 200 | ASN | 0 | -0.025 | -0.036 | 85.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | H | 201 | HIS | 0 | 0.033 | 0.029 | 80.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | H | 202 | LYS | 1 | 1.010 | 0.996 | 82.398 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | H | 203 | PRO | 0 | 0.000 | 0.010 | 78.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | H | 204 | SER | 0 | -0.014 | -0.018 | 80.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | H | 205 | ASN | 0 | -0.049 | -0.023 | 83.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | H | 206 | THR | 0 | 0.001 | 0.001 | 86.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | H | 207 | LYS | 1 | 0.860 | 0.899 | 87.748 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | H | 208 | VAL | 0 | -0.008 | -0.002 | 90.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | H | 209 | ASP | -1 | -0.814 | -0.877 | 92.370 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | H | 210 | LYS | 1 | 0.843 | 0.907 | 93.675 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | H | 211 | LYS | 1 | 0.870 | 0.928 | 95.630 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | H | 212 | VAL | 0 | -0.025 | -0.017 | 94.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | H | 213 | GLU | -1 | -0.859 | -0.914 | 98.121 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | H | 214 | PRO | 0 | -0.013 | -0.020 | 100.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | H | 215 | LYS | 1 | 0.847 | 0.917 | 98.934 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | H | 216 | SER | 0 | 0.038 | 0.025 | 102.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |