FMODB ID: 8217Y
Calculation Name: 1UAA-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1UAA
Chain ID: B
UniProt ID: P09980
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 633 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -14384573.651946 |
---|---|
FMO2-HF: Nuclear repulsion | 14130786.533138 |
FMO2-HF: Total energy | -253787.118808 |
FMO2-MP2: Total energy | -254530.817135 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(B:2:ARG)
Summations of interaction energy for
fragment #1(B:2:ARG)
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. |
-22.112 | -18.349 | -0.029 | -1.799 | -1.935 | -0.005 |
Interaction energy analysis for fragmet #1(B:2:ARG)
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 | B | 4 | ASN | 0 | 0.040 | 0.053 | 3.784 | -2.914 | 0.268 | -0.037 | -1.554 | -1.591 | -0.006 |
4 | B | 5 | PRO | 0 | 0.089 | 0.020 | 5.491 | 2.794 | 2.794 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | GLY | 0 | 0.088 | 0.070 | 8.527 | 1.402 | 1.402 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | GLN | 0 | 0.000 | -0.015 | 6.259 | -1.852 | -1.852 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | GLN | 0 | -0.010 | -0.020 | 6.703 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | GLN | 0 | -0.007 | -0.008 | 8.517 | 2.626 | 2.626 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | ALA | 0 | 0.012 | -0.008 | 12.133 | 1.125 | 1.125 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | VAL | 0 | -0.058 | -0.029 | 8.479 | 1.220 | 1.220 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | GLU | -1 | -0.809 | -0.903 | 10.770 | -21.367 | -21.367 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | PHE | 0 | -0.045 | -0.018 | 13.119 | 1.096 | 1.096 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | VAL | 0 | 0.027 | 0.012 | 15.456 | 0.632 | 0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | THR | 0 | -0.028 | -0.026 | 18.155 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | GLY | 0 | -0.035 | -0.019 | 21.441 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | PRO | 0 | 0.006 | 0.028 | 21.945 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | CYS | 0 | -0.015 | -0.003 | 18.358 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | LEU | 0 | 0.015 | 0.013 | 20.693 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | VAL | 0 | -0.026 | -0.020 | 14.483 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | LEU | 0 | 0.016 | 0.005 | 17.785 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ALA | 0 | -0.052 | -0.036 | 15.423 | -0.517 | -0.517 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | GLY | 0 | 0.116 | 0.076 | 16.325 | 0.693 | 0.693 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | ALA | 0 | 0.032 | 0.011 | 16.000 | -0.740 | -0.740 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | GLY | 0 | 0.012 | 0.012 | 14.282 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | SER | 0 | -0.009 | -0.009 | 11.864 | -1.381 | -1.381 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | GLY | 0 | -0.015 | -0.010 | 9.783 | -1.652 | -1.652 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.880 | 0.928 | 10.510 | 12.836 | 12.836 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | THR | 0 | 0.065 | 0.019 | 12.465 | -0.521 | -0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | ARG | 1 | 0.844 | 0.940 | 3.362 | 31.332 | 31.913 | 0.008 | -0.245 | -0.344 | 0.001 |
30 | B | 31 | VAL | 0 | 0.037 | 0.018 | 9.384 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ILE | 0 | 0.077 | 0.033 | 10.259 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | THR | 0 | -0.021 | -0.006 | 10.808 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | ASN | 0 | 0.037 | -0.007 | 6.318 | 0.932 | 0.932 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | LYS | 1 | 0.813 | 0.922 | 9.860 | 15.652 | 15.652 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | ILE | 0 | -0.001 | -0.001 | 12.521 | 0.424 | 0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | ALA | 0 | -0.011 | -0.019 | 10.998 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | HIS | 0 | -0.042 | -0.017 | 10.990 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | LEU | 0 | -0.002 | -0.010 | 12.860 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | ILE | 0 | -0.080 | -0.037 | 15.995 | 0.588 | 0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | ARG | 1 | 0.782 | 0.851 | 11.924 | 17.555 | 17.555 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | GLY | 0 | 0.023 | 0.026 | 15.020 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | CYS | 0 | -0.070 | -0.033 | 15.878 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | GLY | 0 | 0.015 | 0.037 | 19.059 | 0.738 | 0.738 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | TYR | 0 | -0.037 | -0.046 | 20.135 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | GLN | 0 | 0.060 | 0.025 | 20.853 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | ALA | 0 | 0.129 | 0.075 | 20.940 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | ARG | 1 | 0.874 | 0.935 | 21.894 | 9.761 | 9.761 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | HIS | 0 | -0.093 | -0.055 | 23.967 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | ILE | 0 | -0.003 | 0.013 | 18.548 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ALA | 0 | -0.009 | -0.004 | 22.407 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.003 | 0.008 | 19.552 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | VAL | 0 | 0.038 | 0.024 | 21.353 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | THR | 0 | -0.011 | -0.011 | 20.922 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | PHE | 0 | 0.120 | 0.045 | 23.766 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | THR | 0 | 0.074 | 0.051 | 24.266 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | ASN | 0 | -0.004 | -0.019 | 25.018 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | LYS | 1 | 0.961 | 0.966 | 20.022 | 12.087 | 12.087 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ALA | 0 | 0.053 | 0.036 | 20.394 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | ALA | 0 | 0.031 | 0.027 | 20.058 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | ARG | 1 | 0.932 | 0.972 | 21.168 | 9.994 | 9.994 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLU | -1 | -0.829 | -0.909 | 17.015 | -13.591 | -13.591 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | MET | 0 | -0.031 | -0.015 | 16.292 | -0.576 | -0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | LYS | 1 | 0.844 | 0.902 | 16.872 | 10.258 | 10.258 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | GLU | -1 | -0.930 | -0.960 | 17.715 | -12.779 | -12.779 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | ARG | 1 | 0.936 | 0.964 | 7.251 | 20.131 | 20.131 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | VAL | 0 | 0.028 | 0.008 | 13.785 | -0.595 | -0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | GLY | 0 | -0.020 | 0.008 | 14.963 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | GLN | 0 | -0.030 | -0.005 | 13.205 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | THR | 0 | -0.069 | -0.032 | 9.587 | -0.998 | -0.998 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | LEU | 0 | -0.070 | -0.034 | 12.477 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | GLY | 0 | 0.051 | 0.029 | 15.368 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | ARG | 1 | 0.965 | 0.944 | 18.176 | 11.839 | 11.839 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | LYN | 0 | -0.008 | 0.017 | 20.127 | 0.539 | 0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | GLU | -1 | -0.698 | -0.836 | 17.134 | -14.875 | -14.875 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | ALA | 0 | 0.051 | 0.029 | 18.729 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | ARG | 1 | 0.838 | 0.919 | 19.998 | 10.361 | 10.361 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | GLY | 0 | -0.036 | -0.027 | 23.301 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | LEU | 0 | 0.074 | 0.051 | 19.403 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | MET | 0 | -0.008 | 0.028 | 22.900 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | ILE | 0 | -0.011 | -0.022 | 19.180 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | SER | 0 | -0.092 | -0.044 | 22.976 | 0.406 | 0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | THR | 0 | 0.027 | 0.034 | 25.261 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | PHE | 0 | 0.090 | 0.029 | 27.468 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | HIS | 0 | 0.085 | 0.028 | 29.371 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | THR | 0 | -0.055 | -0.019 | 29.546 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | LEU | 0 | 0.019 | 0.017 | 28.257 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLY | 0 | 0.034 | 0.023 | 31.279 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | LEU | 0 | 0.104 | 0.047 | 34.058 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | ASP | -1 | -0.870 | -0.946 | 32.815 | -8.123 | -8.123 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | ILE | 0 | -0.060 | -0.017 | 32.195 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | ILE | 0 | 0.053 | 0.038 | 35.928 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 93 | LYS | 1 | 0.931 | 0.964 | 37.599 | 7.343 | 7.343 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 94 | ARG | 1 | 0.780 | 0.851 | 32.973 | 8.335 | 8.335 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | GLU | -1 | -0.753 | -0.851 | 37.678 | -7.328 | -7.328 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | TYR | 0 | -0.020 | 0.001 | 40.512 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | ALA | 0 | -0.071 | -0.047 | 41.364 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | ALA | 0 | 0.008 | 0.021 | 41.477 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | LEU | 0 | -0.063 | -0.022 | 43.422 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | GLY | 0 | 0.007 | 0.014 | 46.039 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | MET | 0 | -0.062 | -0.024 | 47.385 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | LYS | 1 | 0.914 | 0.953 | 44.934 | 5.819 | 5.819 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | ALA | 0 | 0.015 | 0.018 | 43.267 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | ASN | 0 | -0.064 | -0.051 | 45.424 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | PHE | 0 | 0.035 | 0.025 | 42.786 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | SER | 0 | 0.003 | 0.003 | 43.570 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | LEU | 0 | 0.002 | 0.008 | 38.743 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | PHE | 0 | 0.010 | -0.014 | 42.140 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ASP | -1 | -0.913 | -0.980 | 39.486 | -7.219 | -7.219 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ASP | -1 | -0.918 | -0.977 | 39.493 | -6.958 | -6.958 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | 0.016 | 0.022 | 41.588 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | ASP | -1 | -0.868 | -0.920 | 44.335 | -6.224 | -6.224 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | GLN | 0 | -0.035 | -0.010 | 41.697 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | LEU | 0 | 0.035 | 0.017 | 45.170 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | ALA | 0 | -0.016 | -0.020 | 47.263 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | LEU | 0 | -0.005 | -0.001 | 49.702 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | LEU | 0 | -0.015 | -0.030 | 47.339 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | LYS | 1 | 0.778 | 0.909 | 51.217 | 5.323 | 5.323 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | GLU | -1 | -0.998 | -0.997 | 53.309 | -5.207 | -5.207 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | LEU | 0 | 0.002 | 0.007 | 52.017 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | THR | 0 | -0.132 | -0.097 | 53.726 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | GLU | -1 | -0.824 | -0.894 | 56.233 | -5.016 | -5.016 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | GLY | 0 | -0.014 | -0.007 | 58.610 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | LEU | 0 | -0.116 | -0.062 | 57.799 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | ILE | 0 | -0.018 | -0.018 | 53.268 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | GLU | -1 | -0.816 | -0.896 | 54.236 | -5.401 | -5.401 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | ASP | -1 | -0.825 | -0.909 | 54.459 | -5.413 | -5.413 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | ASP | -1 | -0.879 | -0.949 | 51.025 | -5.847 | -5.847 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | LYS | 1 | 0.997 | 1.000 | 42.871 | 6.541 | 6.541 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | VAL | 0 | -0.022 | -0.015 | 45.612 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LEU | 0 | 0.022 | 0.033 | 46.863 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | 0.095 | 0.033 | 48.162 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | GLN | 0 | -0.010 | -0.007 | 42.204 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | GLN | 0 | 0.020 | 0.034 | 44.387 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | LEU | 0 | 0.066 | 0.039 | 45.579 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | ILE | 0 | 0.014 | -0.001 | 42.689 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | SER | 0 | -0.109 | -0.067 | 41.170 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | THR | 0 | -0.024 | -0.029 | 42.548 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | ILE | 0 | -0.002 | 0.035 | 44.859 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | SER | 0 | -0.077 | -0.086 | 40.205 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | ASN | 0 | -0.013 | -0.009 | 40.194 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | TRP | 0 | 0.031 | 0.011 | 42.056 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | LYS | 1 | 0.845 | 0.926 | 42.678 | 6.635 | 6.635 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | ASN | 0 | -0.076 | -0.063 | 37.472 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | ASP | -1 | -0.943 | -0.969 | 39.551 | -6.936 | -6.936 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LEU | 0 | -0.056 | -0.043 | 39.783 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LYS | 1 | 0.854 | 0.959 | 43.392 | 6.307 | 6.307 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | THR | 0 | -0.019 | -0.034 | 46.904 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | PRO | 0 | 0.045 | 0.027 | 50.081 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | SER | 0 | -0.022 | -0.006 | 52.171 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | GLN | 0 | 0.013 | 0.021 | 50.093 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | 0.007 | -0.002 | 49.597 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | ALA | 0 | 0.034 | 0.014 | 51.170 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | ALA | 0 | -0.039 | -0.002 | 53.397 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | SER | 0 | -0.052 | -0.017 | 49.521 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | ALA | 0 | 0.009 | -0.002 | 50.579 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | ILE | 0 | -0.041 | -0.011 | 52.430 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | GLY | 0 | 0.082 | 0.039 | 53.085 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | GLU | -1 | -0.930 | -0.980 | 55.355 | -5.113 | -5.113 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ARG | 1 | 0.921 | 0.920 | 49.502 | 5.832 | 5.832 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ASP | -1 | -0.771 | -0.841 | 51.085 | -5.836 | -5.836 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | ARG | 1 | 0.921 | 0.967 | 53.255 | 5.049 | 5.049 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | ILE | 0 | -0.037 | -0.018 | 55.892 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | PHE | 0 | 0.046 | 0.013 | 49.313 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | ALA | 0 | 0.000 | 0.013 | 52.047 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | HIS | 0 | 0.016 | 0.016 | 53.355 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | CYS | 0 | -0.033 | -0.011 | 53.239 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | TYR | 0 | 0.008 | -0.008 | 47.686 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | GLY | 0 | -0.003 | -0.028 | 51.713 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | LEU | 0 | -0.042 | -0.030 | 54.201 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | TYR | 0 | -0.001 | -0.013 | 44.939 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | ASP | -1 | -0.800 | -0.906 | 49.224 | -5.780 | -5.780 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ALA | 0 | -0.062 | -0.006 | 50.651 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | HIS | 0 | 0.079 | 0.009 | 53.400 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | LEU | 0 | 0.004 | 0.009 | 46.552 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LYS | 1 | 0.808 | 0.891 | 50.367 | 5.601 | 5.601 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ALA | 0 | -0.027 | -0.004 | 51.299 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | CYS | 0 | -0.083 | -0.045 | 52.431 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.046 | -0.006 | 49.422 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | VAL | 0 | -0.053 | -0.034 | 46.838 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | LEU | 0 | 0.000 | 0.006 | 41.893 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | ASP | -1 | -0.700 | -0.807 | 42.268 | -6.711 | -6.711 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | PHE | 0 | 0.020 | -0.008 | 37.026 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | ASP | -1 | -0.867 | -0.910 | 37.373 | -7.218 | -7.218 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | ASP | -1 | -0.751 | -0.859 | 38.441 | -6.695 | -6.695 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | LEU | 0 | -0.076 | -0.053 | 36.036 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | ILE | 0 | -0.080 | -0.038 | 33.023 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | LEU | 0 | -0.023 | -0.005 | 36.391 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LEU | 0 | 0.087 | 0.051 | 39.033 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | PRO | 0 | -0.033 | -0.033 | 36.037 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | THR | 0 | 0.018 | 0.009 | 35.962 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LEU | 0 | 0.073 | 0.036 | 37.816 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | LEU | 0 | -0.031 | -0.006 | 40.308 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | LEU | 0 | -0.046 | -0.027 | 35.271 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | GLN | 0 | -0.068 | -0.029 | 39.316 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | ALA | 0 | -0.049 | -0.033 | 40.655 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | ASN | 0 | 0.008 | 0.022 | 42.597 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | GLU | -1 | -0.851 | -0.922 | 40.461 | -7.159 | -7.159 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | GLU | -1 | -0.813 | -0.896 | 40.297 | -6.879 | -6.879 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | VAL | 0 | 0.006 | 0.004 | 38.269 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | ARG | 1 | 0.891 | 0.949 | 36.385 | 7.108 | 7.108 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.944 | 0.976 | 34.625 | 7.684 | 7.684 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | ARG | 1 | 0.791 | 0.853 | 34.695 | 6.918 | 6.918 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | TRP | 0 | 0.049 | -0.005 | 30.615 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 205 | GLN | 0 | -0.010 | 0.006 | 31.207 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 206 | ASN | 0 | -0.100 | -0.042 | 30.557 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 207 | LYS | 1 | 0.874 | 0.948 | 29.235 | 8.822 | 8.822 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 208 | ILE | 0 | 0.005 | -0.011 | 25.981 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 209 | ARG | 1 | 0.785 | 0.912 | 25.141 | 9.570 | 9.570 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 210 | TYR | 0 | 0.036 | 0.008 | 18.955 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 211 | LEU | 0 | 0.004 | 0.016 | 22.562 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 212 | LEU | 0 | -0.043 | -0.018 | 16.328 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 213 | VAL | 0 | -0.001 | -0.008 | 20.380 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 214 | ASP | -1 | -0.764 | -0.874 | 18.138 | -14.026 | -14.026 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 215 | GLU | -1 | -0.832 | -0.916 | 20.529 | -11.812 | -11.812 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 216 | TYR | 0 | 0.035 | -0.002 | 22.477 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 217 | GLN | 0 | -0.078 | -0.048 | 23.013 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 218 | ASP | -1 | -0.769 | -0.875 | 26.252 | -10.063 | -10.063 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 219 | THR | 0 | -0.080 | -0.029 | 27.159 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 220 | ASN | 0 | 0.116 | 0.092 | 29.554 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 221 | THR | 0 | 0.014 | -0.004 | 33.026 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 222 | SER | 0 | 0.135 | 0.088 | 34.388 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 223 | GLN | 0 | -0.064 | -0.025 | 30.327 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 224 | TYR | 0 | 0.012 | -0.031 | 30.649 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 225 | GLU | -1 | -0.779 | -0.894 | 31.688 | -8.188 | -8.188 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 226 | LEU | 0 | -0.005 | 0.003 | 31.259 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 227 | VAL | 0 | -0.051 | -0.035 | 27.068 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 228 | LYS | 1 | 0.856 | 0.906 | 30.135 | 8.234 | 8.234 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 229 | LEU | 0 | -0.075 | -0.031 | 31.773 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 230 | LEU | 0 | -0.003 | -0.001 | 29.129 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 231 | VAL | 0 | -0.122 | -0.063 | 26.506 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 232 | GLY | 0 | 0.023 | 0.034 | 29.909 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 233 | SER | 0 | 0.054 | 0.007 | 31.467 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 234 | ARG | 1 | 0.784 | 0.894 | 25.745 | 10.002 | 10.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 235 | ALA | 0 | 0.015 | -0.009 | 27.368 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 236 | ARG | 1 | 0.919 | 0.990 | 23.318 | 10.803 | 10.803 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 237 | PHE | 0 | 0.074 | 0.026 | 21.854 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 238 | THR | 0 | -0.035 | -0.029 | 16.441 | -0.709 | -0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 239 | VAL | 0 | 0.035 | 0.051 | 19.852 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 240 | VAL | 0 | -0.025 | -0.035 | 16.520 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 241 | GLY | 0 | 0.009 | 0.001 | 19.625 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 242 | ASP | -1 | -0.745 | -0.866 | 20.127 | -13.381 | -13.381 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 243 | ASP | -1 | -0.803 | -0.932 | 22.145 | -10.918 | -10.918 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 244 | ASP | -1 | -0.801 | -0.858 | 24.003 | -10.841 | -10.841 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 245 | GLN | 0 | -0.066 | -0.072 | 19.474 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 246 | SER | 0 | -0.031 | -0.010 | 25.130 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 247 | ILE | 0 | 0.032 | 0.021 | 27.884 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 248 | TYR | 0 | -0.045 | -0.016 | 28.396 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 249 | SER | 0 | -0.008 | -0.033 | 32.230 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 250 | TRP | 0 | -0.007 | -0.001 | 34.209 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 251 | ARG | 1 | 0.898 | 0.932 | 35.059 | 7.642 | 7.642 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 252 | GLY | 0 | 0.042 | 0.034 | 35.613 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 253 | ALA | 0 | -0.038 | 0.004 | 30.932 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 254 | ARG | 1 | 0.886 | 0.926 | 32.793 | 8.197 | 8.197 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 255 | PRO | 0 | 0.132 | 0.071 | 30.945 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 256 | GLN | 0 | -0.009 | -0.006 | 30.122 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 257 | ASN | 0 | -0.003 | -0.009 | 28.509 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 258 | LEU | 0 | -0.025 | -0.016 | 23.712 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 259 | VAL | 0 | 0.019 | 0.021 | 27.449 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 260 | LEU | 0 | 0.026 | 0.014 | 30.325 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 261 | LEU | 0 | -0.052 | -0.002 | 25.280 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 262 | SER | 0 | -0.054 | -0.065 | 28.469 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 263 | GLN | 0 | 0.034 | 0.023 | 29.581 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 264 | ASP | -1 | -0.867 | -0.883 | 32.593 | -8.647 | -8.647 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 265 | PHE | 0 | -0.022 | -0.062 | 28.441 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 266 | PRO | 0 | 0.076 | 0.048 | 29.145 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 267 | ALA | 0 | -0.084 | -0.018 | 27.692 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 268 | LEU | 0 | -0.037 | -0.017 | 23.948 | -0.475 | -0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 269 | LYS | 1 | 0.938 | 0.978 | 18.173 | 14.519 | 14.519 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 270 | VAL | 0 | 0.005 | -0.005 | 20.692 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 271 | ILE | 0 | -0.079 | -0.018 | 14.645 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 272 | LYS | 1 | 0.945 | 0.990 | 16.721 | 15.177 | 15.177 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 273 | LEU | 0 | -0.066 | -0.028 | 11.623 | -1.185 | -1.185 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 274 | GLU | -1 | -0.779 | -0.903 | 13.366 | -15.366 | -15.366 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 275 | GLN | 0 | -0.069 | -0.009 | 7.539 | -2.043 | -2.043 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 276 | ASN | 0 | 0.007 | -0.026 | 11.677 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 277 | TYR | 0 | -0.028 | -0.042 | 6.194 | -2.047 | -2.047 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 278 | ARG | 1 | 0.800 | 0.912 | 11.119 | 14.696 | 14.696 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 279 | SER | 0 | -0.012 | -0.011 | 14.387 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 280 | SER | 0 | 0.074 | 0.058 | 16.724 | -0.746 | -0.746 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 281 | GLY | 0 | 0.029 | 0.020 | 18.765 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 282 | ARG | 1 | 0.741 | 0.845 | 19.473 | 11.307 | 11.307 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 283 | ILE | 0 | 0.019 | 0.019 | 21.241 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 284 | LEU | 0 | 0.014 | 0.008 | 16.544 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 285 | LYS | 1 | 0.828 | 0.915 | 20.929 | 11.557 | 11.557 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 286 | ALA | 0 | 0.077 | 0.027 | 23.313 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 287 | ALA | 0 | -0.029 | 0.003 | 22.772 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 288 | ASN | 0 | -0.019 | -0.046 | 19.812 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 289 | ILE | 0 | -0.039 | -0.011 | 23.969 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 290 | LEU | 0 | 0.007 | 0.012 | 27.425 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 291 | ILE | 0 | 0.012 | -0.005 | 24.907 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 292 | ALA | 0 | -0.041 | -0.009 | 27.571 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 293 | ASN | 0 | -0.059 | -0.021 | 29.131 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 294 | ASN | 0 | -0.023 | -0.007 | 30.393 | 0.513 | 0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 295 | PRO | 0 | -0.017 | 0.009 | 31.545 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 296 | HIS | 0 | -0.027 | -0.044 | 25.967 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 297 | VAL | 0 | -0.049 | -0.016 | 28.868 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 298 | PHE | 0 | -0.066 | -0.039 | 23.801 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 299 | GLU | -1 | -0.915 | -0.944 | 22.381 | -12.715 | -12.715 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 300 | LYS | 1 | 0.792 | 0.855 | 19.130 | 12.143 | 12.143 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 301 | ARG | 1 | 0.914 | 0.971 | 19.595 | 12.413 | 12.413 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 302 | LEU | 0 | -0.015 | -0.011 | 16.367 | -0.811 | -0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 303 | PHE | 0 | -0.009 | -0.005 | 11.447 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 304 | SER | 0 | 0.020 | 0.007 | 12.884 | -1.056 | -1.056 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 305 | GLU | -1 | -0.887 | -0.940 | 9.270 | -26.738 | -26.738 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 306 | LEU | 0 | -0.061 | -0.012 | 12.338 | -0.657 | -0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 307 | GLY | 0 | -0.005 | 0.000 | 14.913 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 308 | TYR | 0 | -0.055 | -0.076 | 18.215 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 309 | GLY | 0 | -0.018 | -0.019 | 21.275 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 310 | ALA | 0 | 0.026 | 0.026 | 23.093 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 311 | GLU | -1 | -0.836 | -0.915 | 26.614 | -10.604 | -10.604 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 312 | LEU | 0 | -0.036 | 0.006 | 25.862 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 313 | LYS | 1 | 0.920 | 0.953 | 29.697 | 8.993 | 8.993 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 314 | VAL | 0 | 0.030 | 0.000 | 32.961 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 315 | LEU | 0 | -0.015 | 0.002 | 35.670 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 316 | SER | 0 | -0.029 | -0.018 | 38.058 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 317 | ALA | 0 | 0.015 | 0.025 | 41.344 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 318 | ASN | 0 | 0.022 | -0.006 | 43.285 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 319 | ASN | 0 | 0.049 | 0.000 | 46.399 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 320 | GLU | -1 | -0.869 | -0.939 | 44.153 | -6.646 | -6.646 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 321 | GLU | -1 | -0.831 | -0.919 | 43.813 | -6.453 | -6.453 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 322 | HIS | 0 | 0.028 | 0.027 | 43.932 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 323 | GLU | -1 | -0.693 | -0.844 | 39.197 | -7.629 | -7.629 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 324 | ALA | 0 | 0.002 | 0.016 | 39.480 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 325 | GLU | -1 | -0.871 | -0.931 | 39.780 | -6.837 | -6.837 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 326 | ARG | 1 | 0.817 | 0.861 | 38.983 | 7.364 | 7.364 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 327 | VAL | 0 | -0.042 | -0.005 | 34.418 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 328 | THR | 0 | -0.021 | -0.037 | 36.176 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 329 | GLY | 0 | 0.041 | 0.029 | 37.374 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 330 | GLU | -1 | -0.828 | -0.936 | 34.981 | -8.428 | -8.428 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 331 | LEU | 0 | -0.119 | -0.028 | 31.737 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 332 | ILE | 0 | 0.020 | -0.013 | 33.148 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 333 | ALA | 0 | -0.001 | 0.026 | 34.941 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 334 | HIS | 1 | 0.872 | 0.919 | 26.916 | 10.145 | 10.145 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 335 | HIS | 0 | -0.003 | 0.022 | 29.703 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 336 | PHE | 0 | 0.001 | -0.012 | 31.563 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 337 | VAL | 0 | -0.030 | -0.031 | 32.505 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 338 | ASN | 0 | -0.102 | -0.065 | 27.856 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 339 | LYS | 1 | 0.869 | 0.949 | 28.027 | 8.765 | 8.765 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 340 | THR | 0 | -0.024 | 0.014 | 25.548 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 341 | GLN | 0 | -0.050 | -0.040 | 22.628 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 342 | TYR | 0 | 0.054 | 0.028 | 27.179 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 343 | LYS | 1 | 0.843 | 0.915 | 23.685 | 11.029 | 11.029 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 344 | ASP | -1 | -0.850 | -0.921 | 23.654 | -11.946 | -11.946 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 345 | TYR | 0 | -0.014 | -0.017 | 24.645 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 346 | ALA | 0 | 0.019 | 0.006 | 26.296 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 347 | ILE | 0 | -0.019 | -0.012 | 28.135 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 348 | LEU | 0 | -0.026 | -0.022 | 26.682 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 349 | TYR | 0 | 0.047 | 0.029 | 31.397 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 350 | ARG | 1 | 0.816 | 0.883 | 33.769 | 7.852 | 7.852 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 351 | GLY | 0 | 0.041 | 0.023 | 35.904 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 352 | ASN | 0 | 0.009 | -0.030 | 37.178 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 353 | HIS | 0 | 0.027 | 0.043 | 39.083 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 354 | GLN | 0 | 0.047 | 0.027 | 37.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 355 | SER | 0 | -0.021 | -0.018 | 37.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 356 | ARG | 1 | 0.878 | 0.942 | 39.013 | 6.494 | 6.494 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 357 | VAL | 0 | 0.061 | 0.026 | 41.622 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 358 | PHE | 0 | 0.075 | 0.028 | 36.690 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 359 | GLU | -1 | -0.743 | -0.837 | 38.878 | -7.197 | -7.197 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 360 | LYS | 1 | 0.799 | 0.913 | 40.281 | 6.271 | 6.271 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 361 | PHE | 0 | 0.113 | 0.058 | 41.067 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 362 | LEU | 0 | 0.039 | 0.021 | 35.418 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 363 | MET | 0 | -0.013 | 0.044 | 39.126 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 364 | GLN | 0 | -0.014 | -0.034 | 41.397 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 365 | ASN | 0 | -0.080 | -0.046 | 40.495 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 366 | ARG | 1 | 0.905 | 0.943 | 40.245 | 6.736 | 6.736 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 367 | ILE | 0 | 0.002 | 0.027 | 34.928 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 368 | PRO | 0 | -0.032 | 0.003 | 33.387 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 369 | TYR | 0 | -0.021 | -0.068 | 33.007 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 370 | LYS | 1 | 0.856 | 0.909 | 29.193 | 9.284 | 9.284 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 371 | ILE | 0 | -0.045 | -0.010 | 32.728 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 372 | SER | 0 | -0.016 | -0.015 | 29.219 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 373 | GLY | 0 | 0.005 | 0.009 | 31.799 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 374 | GLY | 0 | -0.012 | -0.010 | 33.270 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 375 | THR | 0 | -0.043 | -0.027 | 36.626 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 376 | SER | 0 | 0.013 | -0.015 | 38.242 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 377 | PHE | 0 | -0.021 | -0.039 | 39.864 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 378 | PHE | 0 | 0.006 | -0.012 | 42.123 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 379 | SER | 0 | -0.051 | 0.001 | 41.524 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 380 | ARG | 1 | 0.884 | 0.933 | 42.303 | 6.718 | 6.718 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 381 | PRO | 0 | 0.066 | 0.039 | 46.354 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 382 | GLU | -1 | -0.801 | -0.886 | 49.280 | -5.935 | -5.935 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 383 | ILE | 0 | 0.010 | -0.020 | 47.466 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 384 | LYS | 1 | 0.806 | 0.910 | 46.215 | 6.223 | 6.223 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 385 | ASP | -1 | -0.854 | -0.908 | 49.244 | -5.517 | -5.517 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 386 | LEU | 0 | 0.003 | 0.003 | 52.875 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 387 | LEU | 0 | -0.017 | -0.014 | 47.213 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 388 | ALA | 0 | 0.007 | 0.007 | 51.749 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 389 | TYR | 0 | 0.021 | -0.002 | 53.302 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 390 | LEU | 0 | 0.037 | 0.018 | 54.038 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 391 | ARG | 1 | 0.772 | 0.884 | 47.083 | 6.079 | 6.079 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 392 | VAL | 0 | 0.064 | 0.023 | 53.899 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 393 | LEU | 0 | -0.069 | -0.030 | 57.196 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 394 | THR | 0 | -0.098 | -0.051 | 54.831 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 395 | ASN | 0 | -0.087 | -0.053 | 54.910 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 396 | PRO | 0 | 0.065 | 0.046 | 57.057 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 397 | ASP | -1 | -0.897 | -0.944 | 57.059 | -5.050 | -5.050 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 398 | ASP | -1 | -0.816 | -0.927 | 53.385 | -5.543 | -5.543 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 399 | ASP | -1 | -0.794 | -0.899 | 55.148 | -5.187 | -5.187 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 400 | SER | 0 | -0.060 | -0.027 | 51.037 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 401 | ALA | 0 | 0.032 | 0.025 | 53.153 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 402 | PHE | 0 | 0.074 | 0.029 | 54.187 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 403 | LEU | 0 | -0.017 | -0.017 | 54.790 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 404 | ARG | 1 | 0.870 | 0.941 | 51.805 | 5.557 | 5.557 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 405 | ILE | 0 | 0.001 | 0.016 | 55.279 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 406 | VAL | 0 | -0.034 | -0.018 | 57.695 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 407 | ASN | 0 | 0.015 | 0.006 | 60.579 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 408 | THR | 0 | 0.021 | 0.014 | 55.397 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 409 | PRO | 0 | 0.024 | 0.004 | 58.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 410 | LYS | 1 | 0.862 | 0.948 | 60.430 | 4.685 | 4.685 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 411 | ARG | 1 | 0.814 | 0.924 | 63.170 | 4.791 | 4.791 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 412 | GLU | -1 | -0.787 | -0.882 | 65.981 | -4.251 | -4.251 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 413 | ILE | 0 | -0.006 | -0.007 | 64.717 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 414 | GLY | 0 | 0.016 | 0.018 | 64.332 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 415 | PRO | 0 | 0.088 | 0.029 | 61.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 416 | ALA | 0 | 0.037 | 0.034 | 63.235 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 417 | THR | 0 | -0.069 | -0.034 | 66.293 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 418 | LEU | 0 | 0.065 | 0.039 | 59.662 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 419 | LYN | 0 | 0.020 | -0.010 | 59.836 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 420 | LYS | 1 | 0.886 | 0.935 | 63.413 | 4.286 | 4.286 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 421 | LEU | 0 | -0.015 | 0.003 | 64.819 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 422 | GLY | 0 | 0.069 | 0.038 | 62.128 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 423 | GLU | -1 | -0.897 | -0.971 | 62.310 | -4.841 | -4.841 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 424 | TRP | 0 | -0.085 | -0.035 | 64.600 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 425 | ALA | 0 | -0.005 | -0.016 | 63.180 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 426 | MET | 0 | -0.037 | -0.019 | 58.494 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 427 | THR | 0 | 0.002 | 0.007 | 62.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 428 | ARG | 1 | 0.709 | 0.857 | 65.449 | 4.373 | 4.373 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 429 | ASN | 0 | -0.044 | -0.033 | 61.811 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 430 | LYS | 1 | 0.869 | 0.934 | 61.845 | 4.592 | 4.592 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 431 | SER | 0 | 0.054 | 0.052 | 59.592 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 432 | MET | 0 | -0.025 | -0.030 | 58.729 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 433 | PHE | 0 | 0.012 | 0.012 | 61.754 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 434 | THR | 0 | 0.053 | 0.016 | 62.927 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 435 | ALA | 0 | 0.028 | 0.011 | 64.816 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 436 | SER | 0 | -0.167 | -0.070 | 65.894 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 437 | PHE | 0 | 0.044 | -0.009 | 67.631 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 438 | ASP | -1 | -0.810 | -0.850 | 69.859 | -4.300 | -4.300 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 439 | MET | 0 | 0.055 | 0.010 | 71.835 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 440 | GLY | 0 | -0.060 | -0.024 | 74.142 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 441 | LEU | 0 | -0.015 | -0.012 | 68.186 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 442 | SER | 0 | -0.021 | -0.004 | 72.289 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 443 | GLN | 0 | 0.002 | -0.008 | 75.138 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 444 | THR | 0 | 0.016 | 0.030 | 70.245 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 445 | LEU | 0 | -0.076 | -0.046 | 68.423 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 446 | SER | 0 | 0.069 | 0.037 | 72.756 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 447 | GLY | 0 | -0.041 | -0.012 | 74.004 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 448 | ARG | 1 | 0.959 | 0.966 | 73.389 | 4.108 | 4.108 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 449 | GLY | 0 | -0.004 | -0.019 | 70.491 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 450 | TYR | 0 | 0.018 | 0.009 | 70.233 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 451 | GLU | -1 | -0.886 | -0.941 | 72.448 | -3.958 | -3.958 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 452 | ALA | 0 | -0.040 | -0.015 | 69.416 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 453 | LEU | 0 | 0.000 | -0.005 | 66.106 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 454 | THR | 0 | 0.027 | 0.012 | 68.494 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 455 | ARG | 1 | 0.872 | 0.920 | 69.646 | 4.249 | 4.249 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 456 | PHE | 0 | 0.008 | 0.011 | 61.670 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 457 | THR | 0 | 0.060 | 0.002 | 65.839 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 458 | HIS | 0 | -0.113 | -0.046 | 66.890 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 459 | TRP | 0 | -0.046 | -0.026 | 63.109 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 460 | LEU | 0 | 0.023 | 0.037 | 62.006 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 461 | ALA | 0 | 0.043 | 0.046 | 65.251 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 462 | GLU | -1 | -0.915 | -0.979 | 66.768 | -4.370 | -4.370 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 463 | ILE | 0 | 0.063 | 0.046 | 63.587 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 464 | GLN | 0 | -0.008 | -0.034 | 62.619 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 465 | ARG | 1 | 0.869 | 0.932 | 64.123 | 4.328 | 4.328 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 466 | LEU | 0 | 0.038 | 0.034 | 66.375 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 467 | ALA | 0 | 0.025 | -0.021 | 61.565 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 468 | GLU | -1 | -0.975 | -0.997 | 62.815 | -4.892 | -4.892 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 469 | ARG | 1 | 0.792 | 0.902 | 64.466 | 4.542 | 4.542 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 470 | GLU | -1 | -0.887 | -0.935 | 64.740 | -4.649 | -4.649 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 471 | PRO | 0 | 0.019 | 0.015 | 59.672 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 472 | ILE | 0 | 0.055 | 0.038 | 59.212 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 473 | ALA | 0 | 0.012 | 0.025 | 61.269 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 474 | ALA | 0 | 0.125 | 0.071 | 62.861 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 475 | VAL | 0 | -0.002 | -0.011 | 57.393 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 476 | ARG | 1 | 0.904 | 0.949 | 60.810 | 4.813 | 4.813 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 477 | ASP | -1 | -0.915 | -0.969 | 62.474 | -4.552 | -4.552 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 478 | LEU | 0 | -0.099 | -0.054 | 59.085 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 479 | ILE | 0 | -0.017 | -0.033 | 58.180 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 480 | HIS | 0 | -0.062 | -0.032 | 61.528 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 481 | GLY | 0 | 0.030 | 0.027 | 64.711 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 482 | MET | 0 | -0.173 | -0.043 | 58.619 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 483 | ASP | -1 | -0.784 | -0.871 | 64.022 | -4.669 | -4.669 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 484 | TYR | 0 | -0.018 | -0.049 | 54.768 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 485 | GLU | -1 | -0.877 | -0.932 | 59.890 | -4.886 | -4.886 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 486 | SER | 0 | -0.016 | -0.033 | 60.658 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 487 | TRP | 0 | 0.056 | 0.024 | 56.813 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 488 | LEU | 0 | -0.069 | -0.030 | 55.076 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 489 | TYR | 0 | -0.034 | -0.038 | 58.174 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 490 | GLU | -1 | -0.910 | -0.949 | 60.108 | -4.718 | -4.718 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 491 | THR | 0 | -0.049 | -0.029 | 56.623 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 492 | SER | 0 | -0.104 | -0.061 | 54.135 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 493 | PRO | 0 | -0.011 | -0.007 | 52.147 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 494 | SER | 0 | 0.041 | 0.045 | 53.868 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 495 | PRO | 0 | 0.083 | 0.031 | 55.763 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 496 | LYS | 1 | 0.914 | 0.949 | 52.244 | 5.599 | 5.599 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 497 | ALA | 0 | 0.010 | 0.012 | 51.980 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 498 | ALA | 0 | 0.041 | 0.019 | 53.255 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 499 | GLU | -1 | -0.956 | -0.966 | 54.731 | -5.427 | -5.427 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 500 | MET | 0 | -0.011 | -0.002 | 48.712 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 501 | ARG | 1 | 0.838 | 0.921 | 51.486 | 5.494 | 5.494 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 502 | MET | 0 | 0.039 | 0.025 | 52.526 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 503 | LYS | 1 | 0.965 | 0.986 | 50.282 | 5.799 | 5.799 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 504 | ASN | 0 | -0.115 | -0.080 | 48.737 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 505 | VAL | 0 | 0.079 | 0.026 | 51.069 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 506 | ASN | 0 | -0.007 | 0.006 | 53.671 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 507 | GLN | 0 | 0.001 | 0.013 | 47.571 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 508 | LEU | 0 | 0.011 | 0.013 | 48.901 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 509 | PHE | 0 | 0.048 | 0.022 | 51.195 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 510 | SER | 0 | 0.035 | 0.011 | 52.846 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 511 | TRP | 0 | -0.038 | -0.012 | 44.832 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 512 | MET | 0 | -0.013 | -0.019 | 51.321 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 513 | THR | 0 | -0.063 | -0.042 | 52.848 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 514 | GLU | -1 | -0.755 | -0.876 | 50.807 | -5.893 | -5.893 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 515 | MET | 0 | -0.051 | -0.023 | 48.420 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 516 | LEU | 0 | -0.078 | -0.037 | 52.754 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 517 | GLU | -1 | -0.987 | -0.992 | 56.156 | -5.126 | -5.126 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 518 | GLY | 0 | -0.039 | -0.013 | 54.084 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 519 | SER | 0 | -0.105 | -0.102 | 51.848 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 520 | GLU | -1 | -0.946 | -0.974 | 54.403 | -5.473 | -5.473 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 521 | LEU | 0 | -0.042 | -0.019 | 50.075 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 522 | ASP | -1 | -0.948 | -0.923 | 48.877 | -6.238 | -6.238 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 523 | GLU | -1 | -0.896 | -0.944 | 51.688 | -5.386 | -5.386 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 524 | PRO | 0 | -0.013 | -0.011 | 53.205 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 525 | MET | 0 | -0.115 | -0.035 | 49.136 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 526 | THR | 0 | 0.049 | -0.003 | 54.433 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 527 | LEU | 0 | 0.093 | 0.026 | 54.609 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 528 | THR | 0 | 0.021 | 0.015 | 54.059 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 529 | GLN | 0 | 0.027 | 0.034 | 50.474 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 530 | VAL | 0 | 0.020 | 0.007 | 50.022 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 531 | VAL | 0 | 0.021 | 0.016 | 49.983 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 532 | THR | 0 | -0.040 | -0.028 | 47.696 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 533 | ARG | 1 | 0.830 | 0.917 | 45.073 | 6.311 | 6.311 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 534 | PHE | 0 | 0.070 | 0.014 | 45.124 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 535 | THR | 0 | -0.096 | -0.058 | 44.971 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 536 | LEU | 0 | -0.018 | -0.020 | 41.381 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 537 | ARG | 1 | 0.771 | 0.904 | 38.267 | 7.258 | 7.258 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 538 | ASP | -1 | -0.731 | -0.831 | 40.517 | -6.515 | -6.515 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 547 | GLU | -1 | -0.867 | -0.929 | 26.924 | -9.235 | -9.235 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 548 | GLU | -1 | -0.955 | -0.971 | 25.861 | -10.713 | -10.713 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 549 | LEU | 0 | -0.014 | -0.009 | 27.946 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 550 | ASP | -1 | -0.799 | -0.881 | 27.799 | -10.279 | -10.279 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 551 | GLN | 0 | 0.005 | -0.036 | 28.790 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 552 | VAL | 0 | 0.021 | 0.023 | 29.050 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 553 | GLN | 0 | -0.018 | 0.008 | 26.431 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 554 | LEU | 0 | 0.016 | 0.027 | 29.121 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 555 | MET | 0 | -0.070 | -0.020 | 26.636 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 556 | THR | 0 | 0.061 | 0.039 | 31.642 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 557 | LEU | 0 | 0.080 | 0.036 | 28.993 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 558 | HIS | 0 | 0.029 | 0.035 | 28.409 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 559 | ALA | 0 | -0.017 | -0.010 | 28.615 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 560 | SER | 0 | -0.080 | -0.060 | 25.629 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 561 | LYS | 1 | 0.795 | 0.878 | 23.895 | 10.334 | 10.334 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 562 | GLY | 0 | -0.042 | -0.026 | 20.331 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 563 | LEU | 0 | -0.054 | -0.009 | 19.992 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 564 | GLU | -1 | -0.829 | -0.926 | 15.776 | -15.984 | -15.984 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 565 | PHE | 0 | 0.049 | 0.009 | 20.122 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 566 | PRO | 0 | -0.009 | 0.015 | 20.067 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 567 | TYR | 0 | 0.012 | -0.003 | 21.769 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 568 | VAL | 0 | 0.004 | 0.014 | 24.498 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 569 | TYR | 0 | 0.037 | 0.024 | 27.179 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 570 | MET | 0 | -0.059 | -0.021 | 28.871 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 571 | VAL | 0 | -0.009 | -0.018 | 31.584 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 572 | GLY | 0 | -0.031 | -0.005 | 35.280 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 573 | MET | 0 | -0.064 | -0.039 | 33.081 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 574 | GLU | -1 | -0.710 | -0.814 | 37.209 | -7.007 | -7.007 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 575 | GLU | -1 | -0.722 | -0.862 | 39.682 | -7.498 | -7.498 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 576 | GLY | 0 | 0.051 | 0.028 | 41.037 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 577 | PHE | 0 | 0.006 | 0.012 | 39.499 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 578 | LEU | 0 | -0.032 | -0.007 | 32.827 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 579 | PRO | 0 | -0.040 | -0.033 | 36.901 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 580 | HIS | 0 | 0.050 | 0.007 | 38.537 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 581 | GLN | 0 | -0.067 | -0.043 | 40.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 582 | SER | 0 | 0.012 | 0.005 | 42.147 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 583 | SER | 0 | 0.009 | -0.014 | 38.971 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 584 | ILE | 0 | -0.128 | -0.052 | 41.496 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 585 | ASP | -1 | -0.930 | -0.962 | 43.066 | -6.325 | -6.325 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 586 | GLU | -1 | -0.947 | -0.980 | 42.854 | -6.745 | -6.745 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 587 | ASP | -1 | -0.994 | -0.991 | 43.102 | -6.787 | -6.787 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 588 | ASN | 0 | -0.048 | -0.002 | 37.207 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 589 | ILE | 0 | 0.052 | 0.012 | 36.407 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 590 | ASP | -1 | -0.851 | -0.935 | 33.783 | -8.517 | -8.517 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 591 | GLU | -1 | -0.768 | -0.841 | 32.251 | -9.004 | -9.004 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 592 | GLU | -1 | -0.700 | -0.798 | 32.055 | -8.227 | -8.227 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 593 | ARG | 1 | 0.746 | 0.834 | 31.013 | 8.458 | 8.458 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 594 | ARG | 1 | 0.837 | 0.909 | 28.274 | 9.009 | 9.009 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 595 | LEU | 0 | -0.034 | -0.025 | 27.965 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 596 | ALA | 0 | 0.007 | -0.002 | 28.664 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 597 | TYR | 0 | 0.036 | 0.012 | 21.990 | -0.463 | -0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 598 | VAL | 0 | -0.027 | 0.006 | 24.062 | -0.589 | -0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 599 | GLY | 0 | 0.053 | 0.010 | 24.267 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 600 | ILE | 0 | 0.050 | 0.018 | 24.227 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 601 | THR | 0 | -0.085 | -0.029 | 20.192 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 602 | ARG | 1 | 0.761 | 0.888 | 20.012 | 11.583 | 11.583 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 603 | ALA | 0 | 0.000 | 0.010 | 21.130 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 604 | GLN | 0 | -0.079 | -0.062 | 16.307 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 605 | LYS | 1 | 0.927 | 0.951 | 18.777 | 13.777 | 13.777 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 606 | GLU | -1 | -0.878 | -0.915 | 21.390 | -10.751 | -10.751 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 607 | LEU | 0 | 0.000 | -0.006 | 25.007 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 608 | THR | 0 | -0.040 | -0.014 | 27.135 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 609 | PHE | 0 | 0.028 | 0.008 | 28.943 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 610 | THR | 0 | -0.013 | -0.042 | 33.259 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 611 | LEU | 0 | -0.007 | 0.027 | 36.782 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 612 | CYS | 0 | -0.066 | -0.001 | 39.917 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 613 | LYS | 1 | 0.912 | 0.956 | 43.437 | 6.600 | 6.600 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 614 | GLU | -1 | -0.894 | -0.947 | 46.117 | -5.706 | -5.706 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 615 | ARG | 1 | 0.761 | 0.838 | 41.402 | 6.851 | 6.851 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 616 | ARG | 1 | 0.856 | 0.936 | 48.613 | 5.603 | 5.603 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 617 | GLN | 0 | 0.026 | 0.022 | 50.498 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 618 | TYR | 0 | 0.104 | 0.051 | 52.011 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 619 | GLY | 0 | -0.051 | 0.000 | 54.875 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 620 | GLU | -1 | -0.962 | -1.002 | 55.484 | -5.342 | -5.342 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 621 | LEU | 0 | -0.045 | -0.028 | 52.550 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 622 | VAL | 0 | 0.024 | 0.004 | 49.329 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 623 | ARG | 1 | 0.882 | 0.922 | 49.455 | 5.651 | 5.651 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 624 | PRO | 0 | -0.061 | -0.015 | 44.771 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 625 | GLU | -1 | -0.868 | -0.935 | 43.957 | -6.658 | -6.658 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 626 | PRO | 0 | -0.047 | -0.038 | 39.856 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 627 | SER | 0 | 0.036 | 0.009 | 36.553 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 628 | ARG | 1 | 0.903 | 0.918 | 37.520 | 7.205 | 7.205 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 629 | PHE | 0 | -0.007 | 0.005 | 33.098 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 630 | LEU | 0 | -0.042 | -0.023 | 33.602 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 631 | LEU | 0 | 0.005 | -0.011 | 34.900 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 632 | GLU | -1 | -0.800 | -0.860 | 33.521 | -8.631 | -8.631 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 633 | LEU | 0 | -0.049 | -0.014 | 29.449 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 634 | PRO | 0 | -0.031 | -0.012 | 27.774 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 635 | GLN | 0 | 0.033 | -0.008 | 31.107 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 636 | ASP | -1 | -0.911 | -0.927 | 30.905 | -9.391 | -9.391 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 637 | ASP | -1 | -0.817 | -0.861 | 27.810 | -11.188 | -11.188 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 638 | LEU | 0 | -0.053 | -0.013 | 30.290 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 639 | ILE | 0 | 0.001 | -0.015 | 32.727 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 640 | TRP | 0 | 0.024 | 0.000 | 35.383 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 641 | GLU | -1 | -0.816 | -0.870 | 38.306 | -7.504 | -7.504 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 642 | GLN | 0 | -0.039 | -0.010 | 40.319 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |