FMODB ID: 7618K
Calculation Name: 1UAA-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1UAA
Chain ID: A
UniProt ID: P09980
Base Structure: X-ray
Registration Date: 2023-09-24
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 | 639 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15149881.665138 |
---|---|
FMO2-HF: Nuclear repulsion | 14893186.387891 |
FMO2-HF: Total energy | -256695.277247 |
FMO2-MP2: Total energy | -257445.799826 |
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(A:2:ARG)
Summations of interaction energy for
fragment #1(A: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. |
-177.301 | -178.213 | 20.246 | -9.825 | -9.508 | -0.092 |
Interaction energy analysis for fragmet #1(A: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 | A | 4 | ASN | 0 | 0.111 | 0.059 | 2.715 | -9.697 | -5.463 | 0.644 | -2.307 | -2.571 | -0.011 |
4 | A | 5 | PRO | 0 | 0.076 | 0.010 | 4.482 | -0.898 | -0.690 | -0.001 | -0.010 | -0.197 | 0.000 |
5 | A | 6 | GLY | 0 | 0.052 | 0.047 | 6.028 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 7 | GLN | 0 | 0.034 | 0.005 | 6.494 | -3.601 | -3.601 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | GLN | 0 | -0.046 | -0.019 | 1.724 | -38.265 | -43.782 | 19.604 | -7.474 | -6.612 | -0.081 |
8 | A | 9 | GLN | 0 | 0.062 | 0.025 | 5.729 | 2.213 | 2.213 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | ALA | 0 | -0.007 | -0.006 | 8.043 | 2.800 | 2.800 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | VAL | 0 | -0.047 | -0.041 | 6.682 | 2.466 | 2.466 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | GLU | -1 | -0.854 | -0.917 | 4.282 | -53.483 | -53.320 | -0.001 | -0.034 | -0.128 | 0.000 |
12 | A | 13 | PHE | 0 | -0.016 | 0.005 | 8.079 | 2.936 | 2.936 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | VAL | 0 | 0.006 | 0.008 | 11.375 | 1.195 | 1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | THR | 0 | -0.010 | -0.016 | 13.830 | 0.803 | 0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | GLY | 0 | -0.058 | -0.038 | 16.656 | 1.071 | 1.071 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | PRO | 0 | 0.035 | 0.045 | 18.572 | -0.544 | -0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | CYS | 0 | -0.024 | -0.007 | 15.517 | -0.598 | -0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | LEU | 0 | 0.032 | 0.024 | 18.162 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | VAL | 0 | -0.001 | -0.006 | 13.759 | -0.657 | -0.657 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | LEU | 0 | -0.003 | -0.013 | 16.731 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | ALA | 0 | -0.068 | -0.033 | 15.539 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | GLY | 0 | 0.103 | 0.073 | 16.594 | 0.771 | 0.771 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | ALA | 0 | 0.048 | 0.015 | 17.470 | -0.833 | -0.833 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | GLY | 0 | 0.054 | 0.036 | 16.652 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | SER | 0 | -0.070 | -0.028 | 13.771 | -1.497 | -1.497 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | GLY | 0 | 0.069 | 0.012 | 11.969 | -1.875 | -1.875 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | LYS | 1 | 0.846 | 0.913 | 12.840 | 13.795 | 13.795 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | THR | 0 | 0.088 | 0.047 | 14.989 | -0.845 | -0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | ARG | 1 | 0.968 | 1.005 | 5.283 | 34.800 | 34.800 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | VAL | 0 | 0.069 | 0.045 | 9.671 | -0.850 | -0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ILE | 0 | 0.056 | 0.041 | 11.488 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | THR | 0 | 0.004 | -0.019 | 12.678 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | ASN | 0 | -0.013 | -0.010 | 8.226 | 0.487 | 0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | LYS | 1 | 0.773 | 0.901 | 10.661 | 22.387 | 22.387 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | ILE | 0 | -0.018 | -0.008 | 11.611 | 0.659 | 0.659 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | ALA | 0 | 0.018 | -0.003 | 11.365 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | HIS | 0 | -0.042 | -0.037 | 7.057 | -1.816 | -1.816 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | LEU | 0 | -0.005 | -0.010 | 10.130 | 0.788 | 0.788 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | ILE | 0 | -0.029 | -0.016 | 13.051 | 0.917 | 0.917 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | ARG | 1 | 0.809 | 0.875 | 10.980 | 20.180 | 20.180 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | GLY | 0 | -0.001 | 0.013 | 9.312 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | CYS | 0 | -0.075 | -0.033 | 10.318 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | GLY | 0 | 0.003 | 0.022 | 12.985 | 1.355 | 1.355 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | TYR | 0 | -0.028 | -0.014 | 15.591 | 1.468 | 1.468 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | GLN | 0 | 0.012 | 0.002 | 17.496 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | ALA | 0 | 0.103 | 0.048 | 19.464 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | ARG | 1 | 0.978 | 0.998 | 20.306 | 11.610 | 11.610 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | HIS | 0 | -0.140 | -0.089 | 22.034 | 0.823 | 0.823 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | ILE | 0 | 0.015 | 0.017 | 16.753 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | ALA | 0 | -0.013 | -0.006 | 21.036 | 0.467 | 0.467 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | ALA | 0 | 0.020 | 0.012 | 19.913 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | VAL | 0 | 0.010 | 0.009 | 21.872 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | THR | 0 | 0.012 | -0.009 | 23.356 | -0.678 | -0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | PHE | 0 | 0.029 | 0.019 | 25.746 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | THR | 0 | 0.030 | 0.014 | 27.075 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ASN | 0 | -0.051 | -0.033 | 27.609 | -0.575 | -0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | LYS | 1 | 0.904 | 0.950 | 26.977 | 10.526 | 10.526 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | ALA | 0 | 0.107 | 0.064 | 22.945 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | ALA | 0 | -0.016 | 0.009 | 22.895 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | ARG | 1 | 0.887 | 0.937 | 23.835 | 10.672 | 10.672 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | GLU | -1 | -0.849 | -0.950 | 21.123 | -13.195 | -13.195 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | MET | 0 | -0.073 | -0.044 | 18.375 | -0.911 | -0.911 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | LYS | 1 | 0.833 | 0.908 | 19.322 | 11.834 | 11.834 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | GLU | -1 | -0.782 | -0.849 | 20.834 | -13.558 | -13.558 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | ARG | 1 | 0.913 | 0.944 | 15.539 | 15.131 | 15.131 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | VAL | 0 | 0.008 | 0.008 | 16.098 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | GLY | 0 | 0.012 | -0.004 | 17.023 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | GLN | 0 | -0.051 | -0.019 | 14.508 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | THR | 0 | -0.089 | -0.040 | 12.419 | -1.363 | -1.363 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | LEU | 0 | -0.084 | -0.038 | 13.895 | -0.910 | -0.910 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | GLY | 0 | 0.091 | 0.049 | 16.740 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | ARG | 1 | 0.800 | 0.856 | 20.303 | 10.704 | 10.704 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | LYN | 0 | -0.017 | 0.014 | 20.397 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | GLU | -1 | -0.817 | -0.892 | 16.881 | -17.373 | -17.373 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | ALA | 0 | -0.004 | -0.006 | 19.880 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | ARG | 1 | 0.811 | 0.898 | 21.150 | 11.307 | 11.307 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | GLY | 0 | -0.021 | 0.008 | 24.057 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | LEU | 0 | -0.024 | -0.002 | 19.311 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | MET | 0 | -0.009 | 0.004 | 23.440 | 0.613 | 0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | ILE | 0 | 0.019 | 0.033 | 21.649 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | SER | 0 | -0.019 | -0.028 | 24.248 | 0.548 | 0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | THR | 0 | -0.007 | 0.012 | 26.909 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | PHE | 0 | 0.105 | 0.035 | 27.911 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | HIS | 0 | 0.095 | 0.046 | 30.679 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | THR | 0 | 0.003 | 0.007 | 30.691 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | LEU | 0 | -0.007 | 0.015 | 28.184 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLY | 0 | 0.011 | 0.005 | 31.912 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | LEU | 0 | 0.018 | -0.010 | 34.723 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | ASP | -1 | -0.811 | -0.870 | 33.475 | -9.288 | -9.288 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | ILE | 0 | 0.004 | -0.016 | 31.942 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | ILE | 0 | -0.009 | 0.007 | 35.813 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | LYS | 1 | 0.922 | 0.960 | 38.443 | 8.096 | 8.096 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | ARG | 1 | 0.806 | 0.874 | 32.879 | 9.664 | 9.664 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | GLU | -1 | -0.747 | -0.869 | 37.262 | -8.437 | -8.437 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | TYR | 0 | 0.009 | 0.000 | 39.904 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ALA | 0 | -0.008 | -0.004 | 41.069 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | ALA | 0 | -0.075 | -0.011 | 40.250 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | LEU | 0 | -0.016 | -0.015 | 42.343 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | GLY | 0 | -0.039 | -0.009 | 45.008 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | MET | 0 | -0.071 | -0.038 | 46.341 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | LYN | 0 | -0.032 | -0.026 | 46.855 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | ALA | 0 | -0.040 | -0.021 | 44.277 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | ASN | 0 | -0.073 | -0.052 | 46.268 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | PHE | 0 | 0.032 | 0.037 | 42.352 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | SER | 0 | 0.023 | -0.021 | 47.308 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | LEU | 0 | -0.044 | -0.015 | 40.886 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | PHE | 0 | 0.000 | -0.018 | 44.687 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | ASP | -1 | -0.761 | -0.834 | 42.976 | -7.559 | -7.559 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | ASP | -1 | -0.826 | -0.936 | 42.052 | -7.470 | -7.470 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | THR | 0 | -0.038 | -0.016 | 44.513 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | ASP | -1 | -0.837 | -0.914 | 47.077 | -6.625 | -6.625 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | GLN | 0 | -0.055 | -0.032 | 44.816 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | LEU | 0 | 0.033 | 0.009 | 47.926 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | ALA | 0 | -0.009 | -0.005 | 49.733 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | LEU | 0 | 0.007 | 0.012 | 51.935 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | LEU | 0 | -0.016 | -0.009 | 49.924 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | LYS | 1 | 0.857 | 0.886 | 53.631 | 5.718 | 5.718 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | GLU | -1 | -0.970 | -0.962 | 55.707 | -5.508 | -5.508 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | LEU | 0 | -0.086 | -0.054 | 55.157 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | THR | 0 | -0.095 | -0.069 | 55.067 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | GLU | -1 | -0.780 | -0.883 | 57.953 | -5.414 | -5.414 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | GLY | 0 | -0.066 | -0.014 | 60.830 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | LEU | 0 | -0.116 | -0.045 | 58.305 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | ILE | 0 | -0.063 | -0.036 | 55.511 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | GLU | -1 | -0.870 | -0.940 | 57.520 | -5.553 | -5.553 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | ASP | -1 | -0.854 | -0.911 | 56.781 | -5.708 | -5.708 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | ASP | -1 | -0.797 | -0.923 | 53.153 | -6.073 | -6.073 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | LYS | 1 | 0.894 | 0.956 | 48.419 | 6.403 | 6.403 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | VAL | 0 | -0.024 | -0.030 | 48.563 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | LEU | 0 | 0.036 | 0.031 | 49.174 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | LEU | 0 | 0.029 | 0.013 | 50.286 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | GLN | 0 | -0.031 | 0.004 | 44.631 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | GLN | 0 | 0.050 | 0.030 | 46.315 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | LEU | 0 | 0.043 | 0.050 | 47.032 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | ILE | 0 | 0.000 | -0.008 | 44.386 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | SER | 0 | -0.022 | -0.006 | 42.467 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | THR | 0 | -0.014 | -0.023 | 43.663 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | ILE | 0 | 0.022 | 0.016 | 45.598 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | SER | 0 | -0.152 | -0.094 | 41.532 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | ASN | 0 | -0.008 | -0.020 | 40.745 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | TRP | 0 | 0.083 | 0.040 | 42.373 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | LYS | 1 | 0.801 | 0.911 | 42.568 | 7.249 | 7.249 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | ASN | 0 | -0.061 | -0.044 | 37.926 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | ASP | -1 | -0.830 | -0.895 | 38.853 | -7.856 | -7.856 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | LEU | 0 | -0.053 | -0.043 | 38.536 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | LYS | 1 | 0.799 | 0.906 | 42.433 | 7.559 | 7.559 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | THR | 0 | 0.022 | 0.014 | 45.974 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | PRO | 0 | 0.050 | 0.027 | 49.383 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | SER | 0 | -0.011 | -0.011 | 51.796 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | GLN | 0 | 0.012 | 0.002 | 47.904 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | ALA | 0 | 0.027 | 0.016 | 49.180 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | ALA | 0 | 0.008 | -0.005 | 50.577 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | ALA | 0 | -0.042 | -0.009 | 52.531 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | SER | 0 | -0.077 | -0.020 | 48.555 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | ALA | 0 | -0.008 | -0.019 | 50.023 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | ILE | 0 | -0.028 | -0.009 | 51.121 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | GLY | 0 | 0.089 | 0.046 | 53.042 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | GLU | -1 | -0.817 | -0.892 | 55.551 | -5.361 | -5.361 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | ARG | 1 | 0.873 | 0.893 | 52.595 | 6.052 | 6.052 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | ASP | -1 | -0.748 | -0.829 | 51.750 | -6.327 | -6.327 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 162 | ARG | 1 | 0.822 | 0.880 | 53.639 | 5.336 | 5.336 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 163 | ILE | 0 | -0.035 | -0.015 | 56.109 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 164 | PHE | 0 | 0.090 | 0.052 | 50.506 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 165 | ALA | 0 | 0.065 | 0.038 | 52.597 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | HIS | 0 | 0.007 | 0.018 | 53.595 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | CYS | 0 | -0.009 | -0.025 | 54.192 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | TYR | 0 | -0.046 | -0.023 | 47.421 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | GLY | 0 | -0.011 | -0.033 | 52.541 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | LEU | 0 | -0.074 | -0.053 | 54.749 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 171 | TYR | 0 | -0.037 | -0.045 | 47.091 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | ASP | -1 | -0.812 | -0.895 | 49.639 | -6.533 | -6.533 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | ALA | 0 | -0.027 | 0.000 | 51.474 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 174 | HIS | 1 | 0.933 | 0.969 | 54.675 | 5.907 | 5.907 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | LEU | 0 | -0.043 | -0.020 | 48.061 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | LYS | 1 | 0.841 | 0.888 | 49.123 | 6.545 | 6.545 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | ALA | 0 | -0.051 | -0.004 | 52.204 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 178 | CYS | 0 | -0.081 | -0.042 | 54.239 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | ASN | 0 | -0.001 | 0.016 | 50.139 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | VAL | 0 | -0.026 | -0.005 | 48.680 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | LEU | 0 | -0.002 | -0.009 | 43.239 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | ASP | -1 | -0.685 | -0.796 | 43.715 | -7.396 | -7.396 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | PHE | 0 | 0.023 | -0.016 | 38.756 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | ASP | -1 | -0.812 | -0.881 | 39.130 | -8.388 | -8.388 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | ASP | -1 | -0.820 | -0.908 | 39.696 | -7.414 | -7.414 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | LEU | 0 | -0.059 | -0.044 | 37.651 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | ILE | 0 | -0.028 | -0.013 | 33.577 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | LEU | 0 | -0.005 | -0.006 | 36.783 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | LEU | 0 | 0.014 | 0.028 | 39.606 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | PRO | 0 | -0.008 | 0.010 | 36.036 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | THR | 0 | 0.036 | 0.007 | 35.118 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | LEU | 0 | 0.002 | 0.020 | 37.114 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | LEU | 0 | -0.017 | -0.013 | 39.674 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | LEU | 0 | -0.075 | -0.056 | 33.676 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | GLN | 0 | -0.037 | -0.028 | 37.591 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | ALA | 0 | -0.020 | 0.007 | 38.782 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | ASN | 0 | -0.003 | -0.001 | 40.783 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | GLU | -1 | -0.792 | -0.874 | 38.483 | -8.432 | -8.432 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | GLU | -1 | -0.991 | -1.007 | 37.599 | -8.189 | -8.189 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | VAL | 0 | 0.052 | 0.025 | 36.586 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | ARG | 1 | 0.926 | 0.946 | 33.763 | 8.377 | 8.377 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | LYS | 1 | 0.958 | 0.980 | 32.890 | 8.428 | 8.428 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | ARG | 1 | 0.836 | 0.913 | 31.914 | 8.200 | 8.200 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | TRP | 0 | -0.008 | -0.014 | 30.505 | -0.497 | -0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | GLN | 0 | -0.068 | -0.018 | 28.975 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ASN | 0 | -0.114 | -0.048 | 27.549 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | LYS | 1 | 0.861 | 0.930 | 27.091 | 11.152 | 11.152 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | ILE | 0 | 0.021 | -0.009 | 24.201 | -0.508 | -0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | ARG | 1 | 0.818 | 0.921 | 22.253 | 11.868 | 11.868 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | TYR | 0 | -0.015 | -0.025 | 16.007 | -0.515 | -0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | LEU | 0 | 0.007 | 0.020 | 20.699 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | LEU | 0 | -0.032 | -0.004 | 15.604 | -0.519 | -0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | VAL | 0 | -0.009 | -0.008 | 19.888 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | ASP | -1 | -0.823 | -0.912 | 20.017 | -16.243 | -16.243 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | GLU | -1 | -0.833 | -0.918 | 21.704 | -12.720 | -12.720 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | TYR | 0 | 0.036 | -0.012 | 23.001 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | GLN | 0 | -0.034 | -0.027 | 23.653 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | ASP | -1 | -0.760 | -0.869 | 26.618 | -10.928 | -10.928 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | THR | 0 | -0.129 | -0.059 | 27.336 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | ASN | 0 | 0.083 | 0.049 | 30.016 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | THR | 0 | 0.000 | -0.032 | 32.909 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | SER | 0 | 0.021 | 0.018 | 34.187 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | GLN | 0 | 0.040 | 0.023 | 30.872 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | TYR | 0 | 0.027 | -0.023 | 27.822 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | GLU | -1 | -0.871 | -0.963 | 30.692 | -9.318 | -9.318 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | LEU | 0 | -0.057 | -0.024 | 31.420 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | VAL | 0 | -0.035 | -0.022 | 25.925 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | LYS | 1 | 0.812 | 0.920 | 28.890 | 9.949 | 9.949 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | LEU | 0 | -0.019 | -0.005 | 29.930 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | LEU | 0 | -0.066 | -0.023 | 28.193 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | VAL | 0 | -0.033 | -0.033 | 24.575 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | GLY | 0 | -0.027 | -0.008 | 27.038 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | SER | 0 | 0.007 | -0.009 | 28.616 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | ARG | 1 | 0.876 | 0.936 | 23.663 | 11.676 | 11.676 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | ALA | 0 | 0.068 | 0.025 | 23.283 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | ARG | 1 | 0.864 | 0.955 | 18.812 | 14.377 | 14.377 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | PHE | 0 | 0.083 | 0.035 | 19.482 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | THR | 0 | -0.087 | -0.057 | 15.011 | -1.338 | -1.338 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | VAL | 0 | 0.026 | 0.052 | 18.247 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | VAL | 0 | -0.009 | -0.022 | 16.562 | -0.795 | -0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | GLY | 0 | -0.021 | -0.019 | 19.445 | 0.688 | 0.688 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | ASP | -1 | -0.723 | -0.869 | 19.880 | -14.447 | -14.447 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | ASP | -1 | -0.803 | -0.906 | 22.460 | -11.840 | -11.840 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | ASP | -1 | -0.767 | -0.852 | 24.444 | -11.545 | -11.545 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | GLN | 0 | -0.123 | -0.099 | 21.098 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | SER | 0 | -0.105 | -0.058 | 26.397 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | ILE | 0 | 0.040 | 0.030 | 29.112 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | TYR | 0 | -0.018 | -0.003 | 31.135 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | SER | 0 | -0.028 | -0.009 | 33.868 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | TRP | 0 | 0.006 | -0.002 | 35.180 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | ARG | 1 | 0.860 | 0.932 | 36.532 | 8.227 | 8.227 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | GLY | 0 | 0.038 | 0.018 | 37.166 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | ALA | 0 | -0.034 | 0.007 | 31.681 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | ARG | 0 | 0.144 | 0.086 | 31.951 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | PRO | 0 | 0.063 | 0.033 | 30.628 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | GLN | 0 | 0.026 | 0.001 | 29.491 | -0.664 | -0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | ASN | 0 | 0.009 | 0.034 | 28.192 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | LEU | 0 | -0.005 | 0.005 | 23.056 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | VAL | 0 | 0.031 | 0.018 | 26.036 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | LEU | 0 | 0.005 | -0.016 | 28.667 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | LEU | 0 | -0.008 | 0.003 | 23.516 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | SER | 0 | -0.052 | -0.060 | 25.779 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | GLN | 0 | -0.050 | -0.011 | 26.750 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | ASP | -1 | -0.830 | -0.876 | 29.962 | -10.353 | -10.353 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | PHE | 0 | 0.002 | -0.012 | 25.180 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | PRO | 0 | 0.028 | 0.014 | 26.234 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | ALA | 0 | -0.080 | -0.040 | 21.898 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | LEU | 0 | 0.028 | 0.034 | 21.011 | -0.794 | -0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | LYS | 1 | 0.885 | 0.932 | 16.940 | 14.945 | 14.945 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | VAL | 0 | 0.015 | 0.012 | 17.114 | -0.896 | -0.896 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | ILE | 0 | -0.023 | -0.006 | 11.845 | -0.562 | -0.562 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | LYS | 1 | 0.878 | 0.932 | 14.692 | 16.132 | 16.132 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | LEU | 0 | -0.091 | -0.024 | 10.041 | -1.112 | -1.112 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | GLU | -1 | -0.792 | -0.924 | 12.950 | -15.790 | -15.790 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | GLN | 0 | -0.072 | -0.022 | 8.675 | -1.620 | -1.620 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | ASN | 0 | 0.006 | 0.009 | 12.829 | -0.647 | -0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | TYR | 0 | -0.023 | -0.042 | 7.866 | -1.768 | -1.768 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | ARG | 1 | 0.743 | 0.830 | 13.367 | 14.465 | 14.465 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | SER | 0 | 0.005 | 0.013 | 16.788 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | SER | 0 | 0.043 | 0.044 | 18.424 | -0.641 | -0.641 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | GLY | 0 | 0.035 | 0.005 | 19.746 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | ARG | 0 | -0.024 | -0.019 | 20.410 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | ILE | 0 | -0.018 | 0.018 | 22.718 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | LEU | 0 | -0.023 | -0.020 | 17.962 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | LYN | 0 | 0.010 | 0.029 | 22.037 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | ALA | 0 | 0.042 | -0.006 | 24.084 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | ALA | 0 | -0.026 | -0.014 | 24.172 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | ASN | 0 | -0.092 | -0.057 | 22.341 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | ILE | 0 | -0.022 | -0.004 | 24.718 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | LEU | 0 | 0.026 | 0.017 | 28.058 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | ILE | 0 | -0.018 | -0.012 | 25.711 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | ALA | 0 | -0.006 | -0.001 | 28.336 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | ASN | 0 | -0.092 | -0.047 | 29.791 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | ASN | 0 | -0.065 | -0.020 | 30.878 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | PRO | 0 | -0.029 | -0.004 | 31.474 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | HIS | 0 | 0.044 | -0.019 | 26.362 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | VAL | 0 | -0.047 | 0.005 | 27.892 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | PHE | 0 | -0.113 | -0.065 | 23.322 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | GLU | -1 | -0.883 | -0.931 | 23.637 | -11.610 | -11.610 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | LYS | 1 | 0.772 | 0.888 | 19.356 | 12.508 | 12.508 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | ARG | 1 | 0.869 | 0.929 | 19.008 | 14.622 | 14.622 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | LEU | 0 | 0.032 | 0.029 | 17.947 | -0.827 | -0.827 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | PHE | 0 | 0.019 | -0.010 | 12.870 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | SER | 0 | -0.067 | -0.025 | 14.202 | -1.017 | -1.017 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | GLU | -1 | -0.863 | -0.923 | 9.958 | -19.612 | -19.612 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | LEU | 0 | -0.064 | -0.034 | 13.451 | 0.682 | 0.682 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | GLY | 0 | 0.015 | 0.018 | 15.774 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | TYR | -1 | -0.892 | -0.957 | 18.879 | -11.400 | -11.400 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | GLY | 0 | -0.023 | -0.024 | 21.769 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | ALA | 0 | -0.024 | -0.011 | 24.404 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | GLU | -1 | -0.786 | -0.865 | 27.898 | -9.298 | -9.298 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | LEU | 0 | -0.037 | -0.007 | 27.663 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | LYS | 1 | 0.892 | 0.941 | 31.221 | 8.918 | 8.918 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | VAL | 0 | -0.012 | -0.006 | 34.704 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | LEU | 0 | -0.010 | 0.004 | 37.298 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | SER | 0 | 0.051 | 0.030 | 40.165 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | ALA | 0 | -0.027 | -0.001 | 43.448 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | ASN | 0 | 0.002 | -0.027 | 45.581 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | ASN | 0 | 0.009 | -0.004 | 49.166 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | GLU | -1 | -0.738 | -0.901 | 47.490 | -6.446 | -6.446 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | GLU | -1 | -0.864 | -0.936 | 46.668 | -6.119 | -6.119 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | HIS | 0 | -0.017 | -0.016 | 46.946 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | GLU | -1 | -0.821 | -0.928 | 41.985 | -7.310 | -7.310 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | ALA | 0 | -0.006 | 0.000 | 42.333 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | GLU | -1 | -0.886 | -0.937 | 42.735 | -6.214 | -6.214 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | ARG | 1 | 0.857 | 0.911 | 40.399 | 7.020 | 7.020 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | VAL | 0 | 0.010 | 0.023 | 37.332 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | THR | 0 | 0.044 | 0.023 | 39.048 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | GLY | 0 | -0.004 | 0.008 | 40.089 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | GLU | -1 | -0.853 | -0.933 | 37.200 | -7.545 | -7.545 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | LEU | 0 | -0.072 | -0.025 | 34.262 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | ILE | 0 | -0.019 | -0.016 | 35.921 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | ALA | 0 | -0.033 | -0.015 | 37.683 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | HIS | 0 | -0.007 | 0.004 | 29.285 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | HIS | 0 | 0.049 | 0.039 | 32.951 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | PHE | 0 | -0.049 | 0.003 | 34.031 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | VAL | 0 | -0.057 | -0.042 | 34.926 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | ASN | 0 | -0.047 | -0.018 | 28.392 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | LYN | 0 | -0.049 | -0.003 | 30.191 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | THR | 0 | -0.067 | -0.054 | 26.904 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | GLN | 0 | 0.046 | -0.022 | 26.823 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | TYR | 0 | 0.024 | 0.035 | 30.403 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | LYS | 1 | 0.873 | 0.957 | 27.025 | 10.320 | 10.320 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | ASP | -1 | -0.935 | -0.991 | 26.201 | -10.677 | -10.677 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | TYR | 0 | -0.051 | -0.066 | 27.875 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | ALA | 0 | 0.049 | 0.032 | 29.397 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | ILE | 0 | -0.042 | -0.021 | 31.282 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | LEU | 0 | -0.019 | -0.020 | 30.086 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | TYR | 0 | 0.030 | 0.030 | 34.451 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | ARG | 1 | 0.905 | 0.947 | 36.584 | 7.934 | 7.934 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | GLY | 0 | 0.014 | -0.001 | 38.457 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | ASN | 0 | 0.029 | -0.013 | 39.566 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | HIS | 0 | 0.026 | 0.025 | 42.401 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | GLN | 0 | 0.049 | 0.031 | 40.892 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | SER | 0 | 0.021 | 0.002 | 41.299 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | ARG | 1 | 0.891 | 0.943 | 42.407 | 6.606 | 6.606 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 357 | VAL | 0 | -0.031 | -0.027 | 44.748 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 358 | PHE | 0 | 0.089 | 0.033 | 39.655 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 359 | GLU | -1 | -0.823 | -0.889 | 42.023 | -7.156 | -7.156 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 360 | LYS | 1 | 0.786 | 0.894 | 43.602 | 6.090 | 6.090 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 361 | PHE | 0 | 0.084 | 0.027 | 44.344 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 362 | LEU | 0 | 0.062 | 0.059 | 38.744 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 363 | MET | 0 | 0.055 | 0.029 | 42.344 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 364 | GLN | 0 | -0.143 | -0.083 | 44.731 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 365 | ASN | 0 | -0.055 | -0.033 | 43.483 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 366 | ARG | 1 | 0.851 | 0.919 | 43.612 | 6.246 | 6.246 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 367 | ILE | 0 | 0.010 | 0.032 | 38.149 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 368 | PRO | 0 | -0.006 | 0.019 | 37.136 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 369 | TYR | 0 | -0.047 | -0.057 | 36.467 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 370 | LYN | 0 | -0.022 | -0.006 | 32.150 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 371 | ILE | 0 | -0.007 | -0.018 | 36.476 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 372 | SER | 0 | 0.000 | 0.001 | 35.142 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 373 | GLY | 0 | -0.018 | -0.003 | 35.830 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 374 | GLY | 0 | -0.001 | -0.001 | 38.055 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 375 | THR | 0 | -0.081 | -0.045 | 41.038 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 376 | SER | 0 | 0.081 | 0.045 | 38.508 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 377 | PHE | 0 | 0.113 | 0.048 | 39.664 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 378 | PHE | 0 | 0.003 | 0.000 | 37.882 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 379 | SER | 0 | -0.044 | -0.023 | 42.132 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 380 | ARG | 1 | 0.912 | 0.977 | 43.763 | 7.268 | 7.268 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 381 | PRO | 0 | -0.011 | -0.003 | 46.987 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 382 | GLU | -1 | -0.709 | -0.861 | 48.297 | -6.569 | -6.569 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 383 | ILE | 0 | -0.012 | 0.009 | 43.855 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 384 | LYS | 1 | 0.804 | 0.875 | 46.371 | 6.959 | 6.959 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 385 | ASP | -1 | -0.821 | -0.861 | 48.168 | -6.028 | -6.028 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 386 | LEU | 0 | 0.025 | -0.004 | 48.405 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 387 | LEU | 0 | -0.025 | -0.002 | 43.608 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 388 | ALA | 0 | 0.025 | 0.017 | 47.564 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 389 | TYR | 0 | 0.041 | 0.013 | 50.449 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 390 | LEU | 0 | 0.041 | 0.033 | 45.584 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 391 | ARG | 1 | 0.810 | 0.885 | 46.358 | 6.747 | 6.747 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 392 | VAL | 0 | 0.015 | 0.004 | 48.774 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 393 | LEU | 0 | -0.078 | -0.042 | 50.641 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 394 | THR | 0 | -0.069 | -0.044 | 46.412 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 395 | ASN | 0 | 0.004 | -0.003 | 48.708 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 396 | PRO | 0 | 0.029 | 0.010 | 50.707 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 397 | ASP | -1 | -0.835 | -0.893 | 52.613 | -5.878 | -5.878 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 398 | ASP | -1 | -0.730 | -0.810 | 50.102 | -6.531 | -6.531 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 399 | ASP | -1 | -0.784 | -0.894 | 53.120 | -5.646 | -5.646 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 400 | SER | 0 | -0.020 | -0.030 | 52.126 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 401 | ALA | 0 | -0.004 | 0.001 | 51.088 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 402 | PHE | 0 | 0.021 | 0.000 | 53.104 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 403 | LEU | 0 | -0.066 | -0.050 | 56.591 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 404 | ARG | 1 | 0.849 | 0.933 | 51.163 | 6.331 | 6.331 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 405 | ILE | 0 | -0.034 | 0.014 | 53.537 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 406 | VAL | 0 | -0.033 | -0.011 | 56.975 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 407 | ASN | 0 | -0.076 | -0.056 | 60.538 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 408 | THR | 0 | 0.104 | 0.034 | 57.048 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 409 | PRO | 0 | -0.011 | 0.003 | 56.561 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 410 | LYS | 1 | 0.868 | 0.961 | 59.144 | 5.159 | 5.159 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 411 | ARG | 1 | 0.900 | 0.950 | 62.913 | 4.921 | 4.921 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 412 | GLU | -1 | -0.855 | -0.925 | 65.448 | -4.566 | -4.566 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 413 | ILE | 0 | -0.019 | -0.005 | 63.900 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 414 | GLY | 0 | 0.049 | 0.028 | 66.368 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 415 | PRO | 0 | 0.111 | 0.037 | 66.672 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 416 | ALA | 0 | -0.021 | 0.013 | 67.797 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 417 | THR | 0 | -0.033 | -0.028 | 68.466 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 418 | LEU | 0 | 0.060 | 0.022 | 63.201 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 419 | LYS | 1 | 0.805 | 0.905 | 66.253 | 4.593 | 4.593 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 420 | LYS | 1 | 0.944 | 0.953 | 67.979 | 4.394 | 4.394 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 421 | LEU | 0 | -0.023 | 0.010 | 63.823 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 422 | GLY | 0 | 0.129 | 0.053 | 64.310 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 423 | GLU | -1 | -0.829 | -0.905 | 65.253 | -4.638 | -4.638 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 424 | TRP | 0 | -0.044 | -0.027 | 67.201 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 425 | ALA | 0 | -0.010 | -0.036 | 62.975 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 426 | MET | 0 | -0.042 | 0.003 | 61.554 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 427 | THR | 0 | 0.010 | 0.009 | 64.681 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 428 | ARG | 1 | 0.808 | 0.913 | 65.999 | 4.661 | 4.661 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 429 | ASN | 0 | -0.069 | -0.052 | 61.612 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 430 | LYS | 1 | 0.844 | 0.918 | 59.713 | 5.045 | 5.045 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 431 | SER | 0 | 0.077 | 0.044 | 57.491 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 432 | MET | 0 | -0.010 | 0.020 | 59.366 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 433 | PHE | 0 | 0.016 | -0.003 | 58.185 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 434 | THR | 0 | 0.034 | -0.001 | 58.573 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 435 | ALA | 0 | -0.004 | 0.001 | 61.177 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 436 | SER | 0 | -0.133 | -0.068 | 63.649 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 437 | PHE | 0 | 0.000 | -0.009 | 61.880 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 438 | ASP | -1 | -0.814 | -0.865 | 66.212 | -4.895 | -4.895 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 439 | MET | 0 | 0.010 | -0.011 | 68.301 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 440 | GLY | 0 | -0.003 | -0.006 | 71.327 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 441 | LEU | 0 | -0.003 | 0.021 | 67.768 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 442 | SER | 0 | -0.030 | -0.041 | 71.587 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 443 | GLN | 0 | 0.003 | 0.015 | 74.287 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 444 | THR | 0 | -0.065 | -0.021 | 72.863 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 445 | LEU | 0 | -0.060 | -0.046 | 70.317 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 446 | SER | 0 | 0.038 | 0.014 | 74.442 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 447 | GLY | 0 | 0.008 | 0.014 | 75.757 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 448 | ARG | 1 | 0.924 | 0.924 | 73.893 | 4.343 | 4.343 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 449 | GLY | 0 | 0.050 | 0.025 | 71.178 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 450 | TYR | 0 | 0.049 | 0.040 | 70.259 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 451 | GLU | -1 | -0.926 | -0.946 | 70.486 | -4.626 | -4.626 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 452 | ALA | 0 | 0.064 | 0.024 | 68.364 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 453 | LEU | 0 | -0.070 | -0.037 | 64.715 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 454 | THR | 0 | 0.010 | -0.020 | 65.795 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 455 | ARG | 1 | 0.901 | 0.962 | 65.125 | 4.849 | 4.849 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 456 | PHE | 0 | 0.037 | 0.011 | 58.536 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 457 | THR | 0 | 0.077 | 0.045 | 61.394 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 458 | HIS | 0 | -0.029 | -0.008 | 61.543 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 459 | TRP | 0 | -0.021 | 0.004 | 57.322 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 460 | LEU | 0 | 0.041 | 0.021 | 55.484 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 461 | ALA | 0 | 0.033 | 0.024 | 57.543 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 462 | GLU | -1 | -0.862 | -0.912 | 58.006 | -5.439 | -5.439 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 463 | ILE | 0 | 0.009 | 0.008 | 54.194 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 464 | GLN | 0 | -0.015 | -0.009 | 53.506 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 465 | ARG | 1 | 0.801 | 0.868 | 53.755 | 5.311 | 5.311 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 466 | LEU | 0 | 0.003 | -0.007 | 54.038 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 467 | ALA | 0 | 0.038 | -0.005 | 50.155 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 468 | GLU | -1 | -0.993 | -0.998 | 49.591 | -6.516 | -6.516 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 469 | ARG | 1 | 0.797 | 0.914 | 49.394 | 5.850 | 5.850 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 470 | GLU | -1 | -0.925 | -0.962 | 48.902 | -6.233 | -6.233 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 471 | PRO | 0 | 0.021 | 0.018 | 45.616 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 472 | ILE | 0 | 0.054 | 0.037 | 46.061 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 473 | ALA | 0 | 0.086 | 0.032 | 47.970 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 474 | ALA | 0 | 0.013 | 0.044 | 51.164 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 475 | VAL | 0 | 0.016 | -0.002 | 47.681 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 476 | ARG | 1 | 0.878 | 0.931 | 50.209 | 6.295 | 6.295 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 477 | ASP | -1 | -0.901 | -0.967 | 51.819 | -5.692 | -5.692 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 478 | LEU | 0 | -0.101 | -0.040 | 51.927 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 479 | ILE | 0 | -0.029 | -0.023 | 49.963 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 480 | HIS | 0 | 0.040 | 0.004 | 54.158 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 481 | GLY | 0 | -0.038 | 0.000 | 56.813 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 482 | MET | 0 | -0.093 | -0.036 | 53.956 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 483 | ASP | -1 | -0.872 | -0.944 | 58.733 | -5.317 | -5.317 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 484 | TYR | 0 | -0.041 | -0.056 | 52.367 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 485 | GLU | -1 | -0.837 | -0.938 | 54.685 | -5.873 | -5.873 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 486 | SER | 0 | 0.019 | 0.022 | 56.216 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 487 | TRP | 0 | 0.077 | 0.026 | 56.646 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 488 | LEU | 0 | -0.047 | -0.015 | 52.577 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 489 | TYR | 0 | -0.073 | -0.033 | 54.954 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 490 | GLU | -1 | -0.982 | -0.955 | 58.926 | -4.991 | -4.991 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 491 | THR | 0 | -0.087 | -0.048 | 57.211 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 492 | SER | 0 | -0.062 | -0.072 | 55.408 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 493 | PRO | 0 | -0.001 | -0.004 | 55.564 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 494 | SER | 0 | -0.035 | -0.003 | 55.809 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 495 | PRO | 0 | 0.107 | 0.034 | 56.983 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 496 | LYS | 1 | 0.977 | 0.991 | 52.612 | 5.761 | 5.761 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 497 | ALA | 0 | 0.012 | 0.015 | 51.696 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 498 | ALA | 0 | 0.069 | 0.059 | 51.820 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 499 | GLU | -1 | -0.772 | -0.881 | 50.879 | -6.376 | -6.376 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 500 | MET | 0 | 0.004 | 0.044 | 44.712 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 501 | ARG | 1 | 0.826 | 0.887 | 48.277 | 5.973 | 5.973 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 502 | MET | 0 | -0.033 | -0.007 | 49.121 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 503 | LYS | 1 | 0.829 | 0.911 | 45.866 | 6.420 | 6.420 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 504 | ASN | 0 | -0.117 | -0.103 | 44.636 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 505 | VAL | 0 | 0.036 | 0.010 | 45.000 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 506 | ASN | 0 | -0.025 | -0.021 | 46.145 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 507 | GLN | 0 | 0.073 | 0.056 | 38.159 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 508 | LEU | 0 | 0.015 | 0.014 | 41.906 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 509 | PHE | 0 | -0.015 | -0.012 | 42.469 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 510 | SER | 0 | 0.031 | 0.007 | 40.730 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 511 | TRP | 0 | 0.050 | 0.026 | 35.538 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 512 | MET | 0 | -0.010 | -0.017 | 38.869 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 513 | THR | 0 | -0.049 | -0.041 | 40.521 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 514 | GLU | -1 | -0.888 | -0.933 | 34.712 | -9.076 | -9.076 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 515 | MET | 0 | -0.071 | -0.034 | 35.685 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 516 | LEU | 0 | -0.094 | -0.046 | 37.319 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 517 | GLU | -1 | -0.998 | -1.021 | 38.995 | -7.644 | -7.644 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 518 | GLY | 0 | -0.033 | -0.005 | 35.584 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 519 | SER | 0 | -0.006 | 0.018 | 30.089 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 520 | GLU | -1 | -0.787 | -0.877 | 29.875 | -9.816 | -9.816 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 521 | LEU | 0 | -0.068 | -0.068 | 24.124 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 522 | ASP | -1 | -0.816 | -0.895 | 26.869 | -11.913 | -11.913 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 523 | GLU | -1 | -0.786 | -0.891 | 29.651 | -10.058 | -10.058 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 524 | PRO | 0 | 0.060 | 0.027 | 32.461 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 525 | MET | 0 | -0.097 | -0.013 | 35.442 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 526 | THR | 0 | 0.047 | 0.016 | 38.181 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 527 | LEU | 0 | 0.107 | 0.026 | 41.221 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 528 | THR | 0 | 0.047 | 0.013 | 43.567 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 529 | GLN | 0 | -0.010 | 0.004 | 36.866 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 530 | VAL | 0 | 0.041 | 0.024 | 39.024 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 531 | VAL | 0 | 0.052 | 0.040 | 40.077 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 532 | THR | 0 | -0.010 | 0.003 | 38.408 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 533 | ARG | 1 | 0.810 | 0.895 | 32.114 | 9.562 | 9.562 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 534 | PHE | 0 | 0.108 | 0.051 | 37.592 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 535 | THR | 0 | -0.064 | -0.033 | 39.750 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 536 | LEU | 0 | -0.077 | -0.040 | 35.442 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 537 | ARG | 1 | 0.771 | 0.857 | 36.140 | 7.863 | 7.863 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 538 | ASP | -1 | -0.880 | -0.928 | 32.334 | -10.240 | -10.240 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 539 | MET | 0 | -0.083 | -0.061 | 34.564 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 540 | MET | 0 | -0.012 | 0.007 | 31.732 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 541 | GLU | -1 | -0.822 | -0.908 | 29.777 | -10.372 | -10.372 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 542 | ARG | 1 | 0.868 | 0.936 | 25.259 | 11.907 | 11.907 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 543 | GLY | 0 | -0.066 | -0.046 | 30.966 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 544 | GLU | -1 | -0.856 | -0.898 | 32.004 | -9.078 | -9.078 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 545 | SER | 0 | 0.011 | -0.036 | 28.803 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 546 | GLU | -1 | -1.071 | -1.023 | 26.684 | -10.606 | -10.606 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 547 | GLU | -1 | -0.975 | -1.005 | 28.347 | -8.670 | -8.670 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 548 | GLU | -1 | -0.856 | -0.900 | 26.311 | -10.603 | -10.603 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 549 | LEU | 0 | 0.013 | -0.011 | 30.529 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 550 | ASP | -1 | -0.912 | -0.945 | 31.182 | -8.848 | -8.848 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 551 | GLN | 0 | -0.053 | -0.055 | 32.225 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 552 | VAL | 0 | -0.004 | -0.023 | 32.717 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 553 | GLN | 0 | 0.006 | 0.019 | 29.421 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 554 | LEU | 0 | -0.013 | 0.031 | 32.549 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 555 | MET | 0 | -0.056 | -0.023 | 30.183 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 556 | THR | 0 | -0.027 | -0.009 | 34.681 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 557 | LEU | 0 | 0.080 | 0.052 | 31.775 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 558 | HIS | 0 | 0.032 | 0.001 | 31.550 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 559 | ALA | 0 | -0.114 | -0.045 | 31.362 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 560 | SER | 0 | 0.006 | 0.001 | 28.224 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 561 | LYS | 1 | 0.763 | 0.861 | 26.126 | 11.295 | 11.295 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 562 | GLY | 0 | -0.020 | 0.013 | 22.957 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 563 | LEU | 0 | 0.009 | -0.010 | 23.428 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 564 | GLU | -1 | -0.893 | -0.932 | 18.307 | -15.356 | -15.356 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 565 | PHE | 0 | 0.066 | 0.034 | 22.934 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 566 | PRO | 0 | -0.006 | 0.034 | 23.415 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 567 | TYR | 0 | 0.028 | 0.003 | 24.471 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 568 | VAL | 0 | 0.018 | 0.020 | 27.464 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 569 | TYR | 0 | 0.017 | 0.005 | 29.960 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 570 | MET | 0 | -0.037 | -0.003 | 31.314 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 571 | VAL | 0 | -0.054 | -0.043 | 34.197 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 572 | GLY | 0 | 0.024 | 0.036 | 38.000 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 573 | MET | 0 | -0.071 | -0.031 | 35.333 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 574 | GLU | -1 | -0.804 | -0.924 | 39.629 | -6.990 | -6.990 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 575 | GLU | -1 | -0.772 | -0.866 | 42.015 | -7.490 | -7.490 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 576 | GLY | 0 | -0.015 | -0.023 | 43.210 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 577 | PHE | 0 | -0.012 | -0.014 | 42.458 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 578 | LEU | 0 | 0.034 | 0.026 | 35.355 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 579 | PRO | 0 | -0.003 | 0.007 | 38.836 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 580 | HIS | 0 | 0.027 | 0.015 | 40.358 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 581 | GLN | 0 | 0.005 | -0.001 | 42.754 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 582 | SER | 0 | -0.009 | 0.007 | 43.066 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 583 | SER | 0 | -0.034 | -0.034 | 40.293 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 584 | ILE | 0 | -0.042 | -0.032 | 42.764 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 585 | ASP | -1 | -1.037 | -1.034 | 44.575 | -6.510 | -6.510 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 586 | GLU | -1 | -0.975 | -0.981 | 43.587 | -6.909 | -6.909 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 587 | ASP | -1 | -0.990 | -0.977 | 42.974 | -7.401 | -7.401 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 588 | ASN | 0 | -0.041 | -0.016 | 37.362 | -0.366 | -0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 589 | ILE | 0 | 0.074 | 0.017 | 37.884 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 590 | ASP | -1 | -0.836 | -0.923 | 34.152 | -8.978 | -8.978 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 591 | GLU | -1 | -0.878 | -0.948 | 33.694 | -9.538 | -9.538 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 592 | GLU | -1 | -0.720 | -0.842 | 33.749 | -8.420 | -8.420 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 593 | ARG | 1 | 0.818 | 0.906 | 32.807 | 8.588 | 8.588 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 594 | ARG | 1 | 0.887 | 0.959 | 29.465 | 9.833 | 9.833 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 595 | LEU | 0 | -0.002 | 0.001 | 30.073 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 596 | ALA | 0 | 0.017 | 0.012 | 31.194 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 597 | TYR | 0 | 0.025 | 0.002 | 22.821 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 598 | VAL | 0 | -0.036 | -0.024 | 26.545 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 599 | GLY | 0 | 0.087 | 0.019 | 26.911 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 600 | ILE | 0 | -0.022 | -0.026 | 26.233 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 601 | THR | 0 | -0.105 | -0.063 | 22.615 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 602 | ARG | 0 | 0.006 | 0.055 | 22.658 | -1.081 | -1.081 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 603 | ALA | 0 | 0.025 | 0.012 | 24.045 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 604 | GLN | 0 | -0.075 | -0.069 | 18.671 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 605 | LYS | 1 | 0.912 | 0.942 | 18.891 | 12.794 | 12.794 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 606 | GLU | -1 | -0.839 | -0.909 | 23.562 | -9.220 | -9.220 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 607 | LEU | 0 | 0.024 | 0.020 | 27.032 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 608 | THR | 0 | -0.030 | -0.024 | 29.238 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 609 | PHE | 0 | 0.050 | 0.005 | 31.010 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 610 | THR | 0 | -0.035 | -0.039 | 35.454 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 611 | LEU | 0 | -0.006 | 0.045 | 39.034 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 612 | CYS | 0 | 0.007 | 0.059 | 42.276 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 613 | LYS | 1 | 0.867 | 0.924 | 45.707 | 5.994 | 5.994 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 614 | GLU | -1 | -0.808 | -0.899 | 48.433 | -5.587 | -5.587 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 615 | ARG | 1 | 0.841 | 0.936 | 48.117 | 6.315 | 6.315 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 616 | ARG | 1 | 0.899 | 0.956 | 48.421 | 6.325 | 6.325 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 617 | GLN | 0 | -0.025 | -0.025 | 50.648 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 618 | TYR | 0 | 0.007 | -0.018 | 53.211 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 619 | GLY | 0 | -0.039 | 0.006 | 56.550 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 620 | GLU | -1 | -0.941 | -0.976 | 58.144 | -5.039 | -5.039 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 621 | LEU | 0 | -0.038 | -0.012 | 55.244 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 622 | VAL | 0 | -0.029 | -0.029 | 52.129 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 623 | ARG | 1 | 0.903 | 0.952 | 51.796 | 5.429 | 5.429 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 624 | PRO | 0 | -0.056 | -0.022 | 46.926 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 625 | GLU | -1 | -0.877 | -0.938 | 46.136 | -6.424 | -6.424 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 626 | PRO | 0 | 0.010 | -0.009 | 41.193 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 627 | SER | 0 | -0.007 | -0.002 | 38.356 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 628 | ARG | 1 | 0.894 | 0.918 | 38.683 | 7.325 | 7.325 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 629 | PHE | 0 | -0.010 | -0.001 | 34.787 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 630 | LEU | 0 | -0.028 | -0.021 | 35.226 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 631 | LEU | 0 | -0.023 | -0.025 | 36.057 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 632 | GLU | -1 | -0.867 | -0.918 | 34.414 | -8.574 | -8.574 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 633 | LEU | 0 | -0.048 | -0.010 | 30.372 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 634 | PRO | 0 | -0.030 | -0.007 | 28.477 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 635 | GLN | 0 | -0.003 | -0.021 | 31.707 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 636 | ASP | -1 | -0.954 | -0.961 | 30.598 | -8.938 | -8.938 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 637 | ASH | 0 | -0.005 | -0.028 | 28.332 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 638 | LEU | 0 | -0.001 | 0.027 | 30.887 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 639 | ILE | 0 | -0.010 | -0.010 | 33.766 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 640 | TRP | 0 | -0.027 | -0.016 | 36.667 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |