FMODB ID: 9GVL2
Calculation Name: 3WDO-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3WDO
Chain ID: A
UniProt ID: A0A140
Base Structure: X-ray
Registration Date: 2023-06-19
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 | 453 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7833872.265706 |
---|---|
FMO2-HF: Nuclear repulsion | 7662956.251576 |
FMO2-HF: Total energy | -170916.01413 |
FMO2-MP2: Total energy | -171411.464808 |
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:3:ASP)
Summations of interaction energy for
fragment #1(A:3:ASP)
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. |
-257.368 | -259.034 | 26.274 | -13.735 | -10.873 | 0.159 |
Interaction energy analysis for fragmet #1(A:3:ASP)
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 | 5 | LYS | 1 | 0.830 | 0.900 | 1.828 | -159.776 | -162.119 | 26.230 | -13.562 | -10.324 | 0.158 |
4 | A | 6 | MET | 0 | 0.007 | 0.007 | 5.700 | -4.197 | -4.197 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 7 | THR | 0 | -0.010 | -0.038 | 7.851 | -2.004 | -2.004 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | PRO | 0 | 0.040 | 0.028 | 9.201 | -1.115 | -1.115 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | GLY | 0 | 0.012 | -0.007 | 12.168 | -2.057 | -2.057 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | GLU | -1 | -0.663 | -0.773 | 10.197 | 28.126 | 28.126 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | ARG | 1 | 0.992 | 1.005 | 12.607 | -22.899 | -22.899 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | ARG | 1 | 0.947 | 0.980 | 15.052 | -17.214 | -17.214 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | ALA | 0 | 0.029 | 0.015 | 17.190 | -1.075 | -1.075 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | THR | 0 | 0.016 | -0.008 | 16.196 | -0.919 | -0.919 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | TRP | 0 | -0.024 | -0.011 | 17.262 | -0.970 | -0.970 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | GLY | 0 | 0.026 | 0.033 | 20.959 | -0.794 | -0.794 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | LEU | 0 | 0.024 | 0.001 | 21.695 | -0.679 | -0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | GLY | 0 | 0.058 | 0.033 | 22.779 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | THR | 0 | -0.049 | -0.016 | 24.048 | -0.624 | -0.624 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | VAL | 0 | 0.000 | 0.000 | 26.552 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | PHE | 0 | -0.038 | -0.015 | 26.854 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | SER | 0 | 0.066 | 0.007 | 26.991 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | LEU | 0 | -0.041 | -0.001 | 29.664 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | ARG | 1 | 0.879 | 0.925 | 32.315 | -9.229 | -9.229 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | MET | 0 | -0.046 | -0.017 | 30.989 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | LEU | 0 | 0.024 | 0.013 | 33.266 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | GLY | 0 | 0.001 | 0.003 | 35.319 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | MET | 0 | -0.026 | -0.010 | 36.977 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | PHE | 0 | 0.003 | -0.024 | 32.729 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | MET | 0 | -0.004 | 0.021 | 38.292 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | VAL | 0 | -0.046 | -0.030 | 40.558 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | LEU | 0 | -0.015 | -0.003 | 39.715 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | PRO | 0 | 0.043 | 0.031 | 42.088 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | VAL | 0 | 0.003 | 0.009 | 44.745 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | LEU | 0 | 0.004 | -0.013 | 46.740 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | THR | 0 | -0.050 | -0.020 | 47.465 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | THR | 0 | -0.036 | -0.008 | 49.196 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | TYR | 0 | -0.011 | -0.019 | 49.051 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | GLY | 0 | 0.009 | 0.013 | 52.177 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | MET | 0 | -0.077 | -0.044 | 53.370 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | ALA | 0 | 0.077 | 0.042 | 55.824 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | LEU | 0 | -0.076 | -0.025 | 52.841 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | GLN | 0 | 0.005 | -0.014 | 57.571 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | GLY | 0 | -0.007 | 0.007 | 59.390 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | ALA | 0 | 0.028 | 0.009 | 57.966 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | SER | 0 | 0.007 | 0.004 | 58.386 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | GLU | -1 | -0.787 | -0.903 | 55.627 | 5.903 | 5.903 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | ALA | 0 | -0.018 | -0.008 | 54.356 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | LEU | 0 | 0.014 | -0.011 | 54.021 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | ILE | 0 | 0.010 | 0.019 | 51.889 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | GLY | 0 | 0.010 | 0.013 | 50.023 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | ILE | 0 | -0.021 | -0.023 | 49.130 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | ALA | 0 | 0.027 | 0.019 | 49.395 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | ILE | 0 | -0.005 | -0.011 | 44.207 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | GLY | 0 | 0.026 | 0.007 | 44.664 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | ILE | 0 | 0.003 | -0.006 | 45.138 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | TYR | 0 | -0.052 | -0.004 | 37.121 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | GLY | 0 | -0.026 | -0.026 | 40.601 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | LEU | 0 | 0.006 | 0.003 | 40.956 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | THR | 0 | -0.030 | -0.033 | 42.439 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | GLN | 0 | 0.040 | 0.040 | 36.095 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | ALA | 0 | 0.006 | 0.005 | 37.515 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | VAL | 0 | 0.003 | 0.004 | 38.267 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | PHE | 0 | 0.030 | 0.006 | 39.636 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | GLN | 0 | -0.001 | 0.008 | 33.410 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | ILE | 0 | 0.002 | 0.002 | 34.024 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | PRO | 0 | -0.037 | -0.015 | 34.949 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | PHE | 0 | -0.008 | -0.010 | 35.196 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | GLY | 0 | 0.066 | 0.032 | 31.755 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | LEU | 0 | 0.016 | 0.030 | 31.712 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | LEU | 0 | 0.002 | 0.005 | 33.327 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | SER | 0 | -0.095 | -0.055 | 30.287 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | ASP | -1 | -0.723 | -0.840 | 28.215 | 11.201 | 11.201 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | ARG | 1 | 0.903 | 0.951 | 30.577 | -8.173 | -8.173 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | ILE | 0 | -0.010 | -0.021 | 32.542 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | GLY | 0 | 0.038 | 0.024 | 31.088 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | ARG | 1 | 0.777 | 0.884 | 24.800 | -11.831 | -11.831 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | LYS | 1 | 0.878 | 0.904 | 25.350 | -12.381 | -12.381 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | PRO | 0 | 0.016 | 0.008 | 29.436 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | LEU | 0 | 0.038 | 0.027 | 32.550 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | ILE | 0 | -0.012 | 0.009 | 27.501 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | VAL | 0 | 0.022 | 0.006 | 31.995 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | GLY | 0 | 0.015 | 0.018 | 34.254 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | GLY | 0 | 0.036 | 0.017 | 35.944 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | LEU | 0 | -0.003 | -0.011 | 32.129 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | ALA | 0 | -0.007 | 0.007 | 36.536 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | VAL | 0 | 0.016 | 0.004 | 39.613 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | PHE | 0 | -0.027 | -0.006 | 36.899 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | ALA | 0 | 0.038 | -0.004 | 39.994 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | ALA | 0 | -0.008 | 0.005 | 41.672 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | GLY | 0 | 0.039 | 0.003 | 44.228 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | SER | 0 | -0.009 | -0.009 | 42.794 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | VAL | 0 | -0.025 | -0.003 | 44.895 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | ILE | 0 | -0.010 | 0.004 | 47.233 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | ALA | 0 | 0.007 | 0.003 | 47.347 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | ALA | 0 | -0.030 | -0.015 | 47.451 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | LEU | 0 | -0.051 | -0.028 | 49.402 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | SER | 0 | -0.085 | -0.035 | 52.366 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | ASP | -1 | -0.830 | -0.907 | 54.010 | 5.653 | 5.653 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | SER | 0 | 0.022 | 0.009 | 56.063 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | ILE | 0 | 0.007 | -0.002 | 53.091 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | TRP | 0 | 0.045 | 0.002 | 53.779 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | GLY | 0 | 0.018 | 0.015 | 53.850 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | ILE | 0 | 0.021 | 0.010 | 49.485 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | ILE | 0 | -0.043 | 0.007 | 49.291 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | LEU | 0 | -0.022 | -0.004 | 49.324 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | GLY | 0 | 0.063 | 0.016 | 47.990 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | ARG | 1 | 0.908 | 0.961 | 42.020 | -7.219 | -7.219 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | ALA | 0 | 0.005 | 0.008 | 44.271 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | LEU | 0 | 0.020 | 0.012 | 44.501 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | GLN | 0 | -0.025 | -0.002 | 41.195 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | GLY | 0 | 0.020 | 0.009 | 39.910 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | SER | 0 | -0.075 | -0.048 | 39.803 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | GLY | 0 | 0.020 | 0.014 | 39.034 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | ALA | 0 | -0.042 | -0.007 | 35.621 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | ILE | 0 | 0.042 | 0.001 | 31.036 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | ALA | 0 | 0.005 | 0.016 | 29.674 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | ALA | 0 | 0.027 | 0.019 | 28.261 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | ALA | 0 | 0.047 | 0.021 | 27.575 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | VAL | 0 | -0.019 | -0.021 | 26.207 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | MET | 0 | 0.019 | 0.008 | 23.571 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | ALA | 0 | 0.015 | 0.014 | 22.696 | 0.708 | 0.708 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | LEU | 0 | -0.006 | -0.002 | 22.575 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | LEU | 0 | 0.003 | 0.003 | 18.469 | 0.672 | 0.672 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | SER | 0 | -0.037 | -0.026 | 18.433 | 1.148 | 1.148 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | ASP | -1 | -0.875 | -0.936 | 17.781 | 14.343 | 14.343 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | LEU | 0 | -0.031 | -0.002 | 17.346 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | THR | 0 | -0.074 | -0.039 | 14.068 | 1.147 | 1.147 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | ARG | 1 | 0.882 | 0.925 | 5.937 | -37.062 | -37.062 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | GLU | -1 | -0.737 | -0.883 | 11.912 | 20.461 | 20.461 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | GLN | 0 | -0.036 | -0.003 | 5.434 | -2.844 | -2.844 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | ASN | 0 | -0.064 | -0.058 | 8.433 | 2.594 | 2.594 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | ARG | 1 | 0.858 | 0.960 | 11.374 | -18.747 | -18.747 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | THR | 0 | 0.061 | 0.015 | 14.440 | -1.254 | -1.254 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | LYS | 1 | 0.907 | 0.956 | 7.740 | -32.776 | -32.776 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | ALA | 0 | -0.004 | -0.001 | 14.742 | -0.788 | -0.788 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | MET | 0 | 0.000 | -0.007 | 16.878 | -0.985 | -0.985 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | ALA | 0 | 0.025 | 0.014 | 17.537 | -0.820 | -0.820 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | PHE | 0 | -0.071 | -0.021 | 18.380 | -0.645 | -0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | ILE | 0 | 0.015 | -0.008 | 20.178 | -0.640 | -0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | GLY | 0 | 0.024 | 0.021 | 22.555 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | VAL | 0 | -0.023 | -0.026 | 21.258 | -0.486 | -0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | SER | 0 | -0.055 | -0.027 | 24.197 | -0.610 | -0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | PHE | 0 | 0.016 | 0.025 | 26.022 | -0.500 | -0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | GLY | 0 | 0.067 | 0.040 | 28.137 | -0.379 | -0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | ILE | 0 | 0.015 | 0.002 | 25.512 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | THR | 0 | -0.047 | -0.029 | 29.451 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | PHE | 0 | 0.042 | 0.009 | 31.641 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | ALA | 0 | 0.004 | 0.006 | 32.470 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | ILE | 0 | -0.005 | -0.017 | 31.221 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | ALA | 0 | -0.025 | -0.022 | 35.037 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | MET | 0 | -0.022 | -0.009 | 36.954 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | VAL | 0 | -0.032 | 0.001 | 37.852 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | LEU | 0 | -0.010 | -0.029 | 36.815 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | GLY | 0 | 0.028 | 0.021 | 40.547 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | PRO | 0 | 0.054 | 0.005 | 41.939 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | ILE | 0 | -0.018 | -0.001 | 42.086 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | ILE | 0 | -0.035 | -0.016 | 42.620 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | THR | 0 | -0.002 | -0.020 | 44.816 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | HIS | 0 | -0.035 | 0.005 | 47.605 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | LYS | 1 | 0.889 | 0.951 | 47.197 | -6.770 | -6.770 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | LEU | 0 | 0.000 | -0.003 | 46.572 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | GLY | 0 | 0.033 | 0.023 | 50.205 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | LEU | 0 | 0.084 | 0.034 | 48.977 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | HIS | 0 | 0.008 | 0.007 | 48.802 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | ALA | 0 | -0.018 | -0.017 | 48.012 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | LEU | 0 | 0.016 | 0.023 | 43.373 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | PHE | 0 | 0.020 | 0.005 | 43.545 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | TRP | 0 | 0.052 | 0.024 | 44.052 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | MET | 0 | -0.023 | -0.004 | 39.233 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | ILE | 0 | -0.003 | 0.007 | 39.243 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | ALA | 0 | 0.031 | 0.017 | 39.326 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | ILE | 0 | 0.006 | 0.009 | 38.836 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | LEU | 0 | -0.004 | 0.004 | 34.864 | 0.273 | 0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | ALA | 0 | -0.002 | 0.003 | 35.226 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | THR | 0 | -0.004 | -0.013 | 35.728 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | THR | 0 | -0.053 | -0.022 | 32.216 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | GLY | 0 | 0.028 | 0.009 | 31.407 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | ILE | 0 | -0.002 | 0.011 | 31.154 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | ALA | 0 | 0.016 | 0.011 | 31.761 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | LEU | 0 | 0.002 | 0.000 | 26.698 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | THR | 0 | -0.029 | -0.038 | 27.433 | 0.580 | 0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | ILE | 0 | -0.073 | -0.041 | 27.349 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | TRP | 0 | -0.043 | -0.009 | 28.017 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | VAL | 0 | -0.001 | -0.007 | 22.681 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | VAL | 0 | -0.013 | 0.008 | 20.614 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | PRO | 0 | 0.044 | 0.033 | 21.628 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | ASN | 0 | 0.020 | -0.019 | 21.616 | 1.077 | 1.077 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | SER | 0 | 0.001 | 0.016 | 18.545 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | SER | 0 | 0.008 | 0.012 | 19.489 | 1.041 | 1.041 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | THR | 0 | 0.040 | 0.023 | 20.941 | -0.534 | -0.534 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | HIS | 0 | -0.052 | -0.031 | 22.484 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | VAL | 0 | -0.014 | -0.014 | 24.380 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | LEU | 0 | 0.035 | 0.028 | 27.190 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | ASN | 0 | -0.015 | 0.001 | 30.949 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | ARG | 1 | 0.991 | 0.980 | 32.801 | -8.751 | -8.751 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | GLU | -1 | -0.820 | -0.883 | 35.467 | 8.065 | 8.065 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | SER | 0 | -0.012 | -0.009 | 38.581 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | GLY | 0 | 0.087 | 0.026 | 41.460 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | MET | 0 | -0.020 | 0.023 | 42.122 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | VAL | 0 | 0.083 | 0.050 | 36.309 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | LYS | 1 | 0.854 | 0.901 | 38.545 | -6.894 | -6.894 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | GLY | 0 | 0.013 | 0.009 | 39.430 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | SER | 0 | -0.044 | -0.063 | 34.088 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | PHE | 0 | 0.019 | 0.018 | 34.361 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | SER | 0 | -0.015 | 0.005 | 35.052 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | LYS | 1 | 0.952 | 0.950 | 34.298 | -7.918 | -7.918 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | VAL | 0 | -0.014 | 0.008 | 29.320 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | LEU | 0 | -0.008 | -0.002 | 31.346 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | ALA | 0 | -0.030 | -0.004 | 33.609 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | GLU | -1 | -0.801 | -0.896 | 28.091 | 10.234 | 10.234 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | PRO | 0 | 0.054 | 0.013 | 30.562 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | ARG | 1 | 0.865 | 0.939 | 23.869 | -11.469 | -11.469 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | LEU | 0 | 0.060 | 0.024 | 25.029 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | LEU | 0 | -0.030 | 0.011 | 28.152 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | LYN | 0 | -0.008 | -0.002 | 28.594 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | LEU | 0 | -0.008 | -0.005 | 23.974 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | ASN | 0 | -0.026 | -0.032 | 28.022 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | PHE | 0 | 0.049 | 0.017 | 30.748 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | GLY | 0 | 0.066 | 0.026 | 29.504 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | ILE | 0 | -0.014 | 0.001 | 27.534 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | MET | 0 | -0.013 | -0.014 | 30.275 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | CYS | 0 | 0.001 | -0.007 | 33.033 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | LEU | 0 | -0.035 | -0.002 | 27.935 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | HIS | 0 | -0.037 | -0.020 | 29.665 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | MET | 0 | -0.020 | -0.001 | 34.116 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | LEU | 0 | -0.011 | -0.003 | 33.858 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | LEU | 0 | 0.000 | 0.012 | 32.719 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | MET | 0 | -0.052 | -0.028 | 35.477 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | SER | 0 | 0.005 | -0.001 | 38.864 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | THR | 0 | 0.003 | -0.015 | 37.126 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | PHE | 0 | -0.066 | -0.042 | 35.497 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | VAL | 0 | -0.066 | -0.021 | 40.043 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | ALA | 0 | 0.052 | 0.046 | 43.210 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | LEU | 0 | -0.011 | -0.007 | 38.462 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | PRO | 0 | 0.000 | 0.005 | 41.811 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | GLY | 0 | 0.030 | 0.007 | 43.962 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | GLN | 0 | 0.026 | 0.011 | 44.945 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | LEU | 0 | -0.063 | -0.035 | 40.540 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | ALA | 0 | -0.061 | -0.028 | 45.010 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | ASP | -1 | -0.852 | -0.907 | 48.228 | 6.171 | 6.171 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 242 | ALA | 0 | -0.070 | -0.025 | 46.493 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 243 | GLY | 0 | -0.048 | -0.013 | 48.599 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 244 | PHE | 0 | -0.014 | -0.043 | 41.574 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 245 | PRO | 0 | 0.000 | 0.027 | 46.829 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 246 | ALA | 0 | 0.087 | 0.027 | 45.191 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 247 | ALA | 0 | -0.042 | -0.022 | 43.591 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 248 | GLU | -1 | -0.779 | -0.888 | 42.354 | 7.630 | 7.630 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 249 | HIS | 0 | 0.005 | 0.013 | 41.065 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 250 | TRP | 0 | 0.001 | 0.007 | 37.184 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 251 | LYS | 1 | 0.802 | 0.888 | 37.335 | -7.350 | -7.350 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 252 | VAL | 0 | 0.039 | 0.015 | 36.340 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 253 | TYR | 0 | 0.036 | 0.023 | 35.011 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 254 | LEU | 0 | -0.012 | -0.003 | 32.299 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 255 | ALA | 0 | 0.015 | 0.009 | 31.341 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 256 | THR | 0 | 0.013 | -0.006 | 30.433 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 257 | MET | 0 | 0.015 | 0.014 | 28.880 | 0.574 | 0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 258 | LEU | 0 | 0.022 | 0.015 | 26.886 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 259 | ILE | 0 | -0.024 | -0.007 | 25.456 | 0.704 | 0.704 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 260 | ALA | 0 | -0.023 | 0.004 | 24.933 | 0.521 | 0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 261 | PHE | 0 | 0.010 | -0.003 | 22.529 | 0.573 | 0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 262 | GLY | 0 | -0.011 | -0.003 | 20.858 | 0.856 | 0.856 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 263 | SER | 0 | -0.043 | -0.044 | 20.122 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 264 | VAL | 0 | -0.006 | 0.013 | 18.904 | 0.560 | 0.560 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 265 | VAL | 0 | -0.028 | -0.011 | 14.820 | 0.948 | 0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 266 | PRO | 0 | 0.006 | 0.000 | 15.023 | 1.403 | 1.403 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 267 | PHE | 0 | 0.047 | 0.019 | 14.812 | 1.120 | 1.120 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 268 | ILE | 0 | 0.040 | 0.027 | 13.922 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 269 | ILE | 0 | -0.005 | 0.006 | 9.422 | 1.418 | 1.418 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 270 | TYR | 0 | -0.069 | -0.028 | 11.157 | 1.188 | 1.188 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 271 | ALA | 0 | -0.001 | -0.020 | 13.090 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 272 | GLU | -1 | -0.819 | -0.872 | 10.273 | 20.593 | 20.593 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 273 | VAL | 0 | -0.024 | -0.024 | 6.394 | 0.665 | 0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 274 | LYS | 1 | 0.902 | 0.953 | 8.997 | -20.040 | -20.040 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 275 | ARG | 1 | 0.891 | 0.950 | 9.737 | -22.414 | -22.414 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 276 | LYS | 1 | 0.917 | 0.989 | 13.068 | -16.265 | -16.265 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 277 | MET | 0 | 0.039 | 0.019 | 14.627 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 278 | LYS | 1 | 0.858 | 0.939 | 17.699 | -11.556 | -11.556 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 279 | GLN | 0 | -0.005 | -0.005 | 19.575 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 280 | VAL | 0 | 0.035 | 0.017 | 17.832 | -0.453 | -0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 281 | PHE | 0 | 0.034 | 0.025 | 20.835 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 282 | VAL | 0 | 0.034 | 0.003 | 23.139 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 283 | PHE | 0 | -0.036 | -0.005 | 23.159 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 284 | CYS | 0 | -0.034 | -0.015 | 23.140 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 285 | VAL | 0 | 0.043 | 0.021 | 26.076 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 286 | GLY | 0 | 0.031 | 0.013 | 28.689 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 287 | LEU | 0 | -0.005 | -0.016 | 26.293 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 288 | ILE | 0 | -0.019 | 0.000 | 29.041 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 289 | VAL | 0 | 0.001 | 0.008 | 31.980 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 290 | VAL | 0 | -0.041 | -0.014 | 32.743 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 291 | ALA | 0 | -0.014 | -0.011 | 32.841 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 292 | GLU | -1 | -0.818 | -0.906 | 34.866 | 8.054 | 8.054 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 293 | ILE | 0 | -0.025 | -0.003 | 37.592 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 294 | VAL | 0 | -0.044 | -0.026 | 36.269 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 295 | LEU | 0 | -0.009 | -0.008 | 38.204 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 296 | TRP | 0 | -0.053 | -0.014 | 40.467 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 297 | ASN | 0 | -0.019 | -0.018 | 42.421 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 298 | ALA | 0 | -0.059 | -0.015 | 41.737 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 299 | GLN | 0 | 0.008 | -0.010 | 43.834 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 300 | THR | 0 | -0.012 | -0.008 | 46.595 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 301 | GLN | 0 | 0.039 | 0.037 | 44.076 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 302 | PHE | 0 | 0.080 | 0.011 | 40.819 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 303 | TRP | 0 | 0.031 | 0.007 | 37.517 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 304 | GLN | 0 | -0.018 | -0.009 | 39.115 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 305 | LEU | 0 | 0.057 | 0.038 | 39.082 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 306 | VAL | 0 | -0.043 | -0.011 | 36.207 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 307 | VAL | 0 | -0.019 | -0.006 | 33.899 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 308 | GLY | 0 | 0.057 | 0.030 | 34.079 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 309 | VAL | 0 | 0.028 | 0.003 | 34.240 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 310 | GLN | 0 | -0.043 | -0.021 | 28.948 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 311 | LEU | 0 | -0.012 | -0.023 | 29.829 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 312 | PHE | 0 | 0.035 | 0.030 | 29.553 | 0.463 | 0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 313 | PHE | 0 | 0.040 | 0.002 | 29.136 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 314 | VAL | 0 | -0.029 | 0.005 | 24.477 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 315 | ALA | 0 | -0.003 | -0.001 | 25.225 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 316 | PHE | 0 | 0.027 | 0.011 | 25.963 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 317 | ASN | 0 | -0.012 | -0.025 | 23.964 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 318 | LEU | 0 | -0.020 | -0.013 | 19.352 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 319 | MET | 0 | -0.033 | -0.014 | 21.614 | 0.731 | 0.731 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 320 | GLU | -1 | -0.804 | -0.911 | 24.032 | 11.374 | 11.374 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 321 | ALA | 0 | -0.033 | -0.016 | 19.303 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 322 | LEU | 0 | -0.052 | -0.037 | 18.236 | 0.443 | 0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 323 | LEU | 0 | 0.020 | 0.006 | 20.684 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 324 | PRO | 0 | 0.052 | 0.032 | 22.025 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 325 | SER | 0 | -0.002 | 0.003 | 16.481 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 326 | LEU | 0 | 0.034 | 0.017 | 18.493 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 327 | ILE | 0 | 0.041 | 0.043 | 20.505 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 328 | SER | 0 | -0.066 | -0.038 | 18.661 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 329 | LYS | 1 | 0.775 | 0.877 | 13.265 | -18.929 | -18.929 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 330 | GLU | -1 | -0.922 | -0.978 | 18.762 | 12.607 | 12.607 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 331 | SER | 0 | -0.005 | -0.015 | 21.833 | -0.818 | -0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 332 | PRO | 0 | -0.005 | -0.016 | 22.972 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 333 | ALA | 0 | 0.023 | 0.012 | 22.899 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 334 | GLY | 0 | 0.029 | 0.006 | 24.345 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 335 | TYR | 0 | -0.056 | -0.026 | 26.919 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 336 | LYS | 1 | 0.896 | 0.937 | 20.013 | -13.888 | -13.888 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 337 | GLY | 0 | 0.006 | 0.000 | 25.919 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 338 | THR | 0 | -0.052 | -0.059 | 28.534 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 339 | ALA | 0 | 0.010 | 0.022 | 26.474 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 340 | MET | 0 | -0.007 | 0.000 | 22.219 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 341 | GLY | 0 | 0.044 | 0.019 | 27.582 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 342 | VAL | 0 | -0.053 | -0.040 | 31.190 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 343 | TYR | 0 | 0.041 | 0.021 | 26.626 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 344 | SER | 0 | 0.014 | -0.004 | 29.993 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 345 | THR | 0 | -0.033 | -0.015 | 31.763 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 346 | SER | 0 | -0.038 | -0.004 | 32.435 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 347 | GLN | 0 | -0.036 | -0.026 | 29.041 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 348 | PHE | 0 | -0.021 | -0.015 | 33.267 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 349 | LEU | 0 | 0.013 | -0.004 | 36.545 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 350 | GLY | 0 | 0.016 | 0.016 | 35.966 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 351 | VAL | 0 | -0.011 | -0.012 | 35.474 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 352 | ALA | 0 | -0.004 | 0.003 | 38.016 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 353 | ILE | 0 | 0.000 | -0.004 | 40.354 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 354 | GLY | 0 | 0.006 | 0.015 | 39.783 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 355 | GLY | 0 | 0.006 | 0.007 | 40.775 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 356 | SER | 0 | -0.052 | -0.029 | 42.747 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 357 | LEU | 0 | -0.010 | -0.008 | 43.332 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 358 | GLY | 0 | 0.037 | 0.022 | 44.010 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 359 | GLY | 0 | 0.018 | 0.008 | 44.799 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 360 | TRP | 0 | -0.034 | -0.026 | 47.994 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 361 | ILE | 0 | -0.032 | -0.031 | 45.229 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 362 | ASP | -1 | -0.907 | -0.956 | 47.513 | 6.505 | 6.505 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 363 | GLY | 0 | -0.012 | 0.026 | 49.423 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 364 | MET | 0 | -0.125 | -0.068 | 52.053 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 365 | PHE | 0 | -0.078 | -0.044 | 50.242 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 366 | ASP | -1 | -0.778 | -0.880 | 50.587 | 6.285 | 6.285 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 367 | GLY | 0 | 0.114 | 0.032 | 46.926 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 368 | GLN | 0 | -0.090 | -0.042 | 45.619 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 369 | GLY | 0 | 0.038 | 0.020 | 45.904 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 370 | VAL | 0 | -0.001 | -0.003 | 42.712 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 371 | PHE | 0 | 0.031 | 0.015 | 41.271 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 372 | LEU | 0 | -0.013 | 0.015 | 41.440 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 373 | ALA | 0 | -0.015 | -0.021 | 42.508 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 374 | GLY | 0 | 0.031 | 0.018 | 39.512 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 375 | ALA | 0 | 0.007 | -0.008 | 37.968 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 376 | MET | 0 | -0.033 | -0.014 | 38.271 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 377 | LEU | 0 | 0.009 | 0.004 | 36.947 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 378 | ALA | 0 | 0.009 | -0.001 | 34.118 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 379 | ALA | 0 | 0.031 | 0.007 | 34.149 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 380 | VAL | 0 | -0.019 | -0.002 | 35.699 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 381 | TRP | 0 | 0.007 | 0.005 | 27.970 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 382 | LEU | 0 | 0.012 | 0.013 | 30.339 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 383 | ALA | 0 | 0.020 | 0.008 | 31.564 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 384 | VAL | 0 | -0.001 | 0.012 | 31.223 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 385 | ALA | 0 | -0.017 | 0.002 | 27.674 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 386 | SER | 0 | -0.049 | -0.034 | 27.634 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 387 | THR | 0 | -0.050 | -0.018 | 28.586 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 388 | MET | 0 | -0.021 | -0.012 | 22.735 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 389 | LYS | 1 | 0.909 | 0.939 | 24.211 | -9.846 | -9.846 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 390 | GLU | -1 | -0.793 | -0.899 | 18.122 | 14.581 | 14.581 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 391 | PRO | 0 | 0.014 | 0.002 | 16.707 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 392 | PRO | 0 | -0.006 | 0.003 | 17.046 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 393 | TYR | 0 | -0.034 | -0.021 | 12.127 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 394 | VAL | 0 | 0.038 | -0.009 | 11.544 | -0.519 | -0.519 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 395 | SER | 0 | -0.092 | -0.061 | 6.985 | 2.340 | 2.340 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 396 | SER | 0 | 0.045 | 0.047 | 9.111 | -1.528 | -1.528 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 397 | LEU | 0 | -0.051 | -0.029 | 4.820 | 4.190 | 4.190 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 398 | ARG | 1 | 0.782 | 0.883 | 6.886 | -29.074 | -29.074 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 399 | ILE | 0 | -0.031 | -0.038 | 7.392 | 4.709 | 4.709 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 400 | GLU | -1 | -0.777 | -0.867 | 9.598 | 22.237 | 22.237 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 401 | ILE | 0 | -0.051 | -0.021 | 11.672 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 402 | PRO | 0 | 0.002 | 0.001 | 13.871 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 403 | ALA | 0 | 0.045 | 0.003 | 16.531 | -0.598 | -0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 404 | ASP | -1 | -0.964 | -0.965 | 19.701 | 14.429 | 14.429 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 405 | ILE | 0 | -0.024 | -0.011 | 18.074 | -0.544 | -0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 406 | ALA | 0 | 0.011 | 0.000 | 20.561 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 407 | ALA | 0 | 0.023 | 0.013 | 19.577 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 408 | ASN | 0 | 0.038 | 0.015 | 20.856 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 409 | GLU | -1 | -0.832 | -0.939 | 22.054 | 11.805 | 11.805 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 410 | ALA | 0 | -0.007 | 0.001 | 23.945 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 411 | LEU | 0 | 0.009 | 0.013 | 17.301 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 412 | LYS | 1 | 0.904 | 0.942 | 19.778 | -13.231 | -13.231 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 413 | VAL | 0 | -0.013 | -0.007 | 20.853 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 414 | ARG | 1 | 0.962 | 0.979 | 19.558 | -13.829 | -13.829 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 415 | LEU | 0 | -0.022 | -0.019 | 15.155 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 416 | LEU | 0 | -0.062 | -0.024 | 18.328 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 417 | GLU | -1 | -0.932 | -0.955 | 20.153 | 11.140 | 11.140 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 418 | THR | 0 | -0.120 | -0.059 | 15.914 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 419 | GLU | -1 | -0.873 | -0.947 | 17.410 | 14.118 | 14.118 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 420 | GLY | 0 | 0.038 | -0.001 | 14.534 | 0.949 | 0.949 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 421 | VAL | 0 | -0.079 | -0.031 | 13.868 | 1.159 | 1.159 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 422 | LYS | 1 | 0.820 | 0.906 | 14.924 | -16.046 | -16.046 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 423 | GLU | -1 | -0.920 | -0.970 | 15.683 | 15.494 | 15.494 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 424 | VAL | 0 | 0.035 | 0.012 | 15.586 | 1.100 | 1.100 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 425 | LEU | 0 | -0.011 | 0.008 | 16.211 | -1.147 | -1.147 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 426 | ILE | 0 | 0.013 | -0.002 | 16.442 | 1.207 | 1.207 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 427 | ALA | 0 | -0.021 | -0.005 | 15.768 | -0.640 | -0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 428 | GLU | -1 | -0.875 | -0.952 | 17.666 | 13.562 | 13.562 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 429 | GLU | -1 | -0.972 | -0.973 | 20.304 | 13.862 | 13.862 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 430 | GLU | -1 | -0.828 | -0.863 | 13.545 | 22.515 | 22.515 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 431 | HIS | 0 | -0.015 | 0.008 | 16.206 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 432 | SER | 0 | -0.050 | -0.041 | 12.390 | 1.012 | 1.012 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 433 | ALA | 0 | 0.015 | 0.008 | 12.800 | -1.379 | -1.379 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 434 | TYR | 0 | -0.087 | -0.072 | 11.527 | 3.303 | 3.303 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 435 | VAL | 0 | 0.007 | 0.000 | 11.188 | -1.604 | -1.604 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 436 | LYS | 1 | 0.860 | 0.925 | 10.976 | -15.968 | -15.968 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 437 | ILE | 0 | -0.005 | 0.011 | 7.474 | -1.002 | -1.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 438 | ASP | -1 | -0.724 | -0.849 | 11.692 | 16.773 | 16.773 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 439 | SER | 0 | -0.012 | -0.008 | 8.259 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 440 | LYS | 1 | 0.771 | 0.862 | 9.952 | -15.251 | -15.251 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 441 | VAL | 0 | -0.028 | -0.007 | 12.906 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 442 | THR | 0 | 0.052 | 0.039 | 10.869 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 443 | ASN | 0 | -0.098 | -0.078 | 6.821 | 2.459 | 2.459 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 444 | ARG | 1 | 0.876 | 0.931 | 2.928 | -47.470 | -46.793 | 0.044 | -0.173 | -0.549 | 0.001 |
443 | A | 445 | PHE | 0 | 0.016 | 0.007 | 5.025 | -0.726 | -0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 446 | GLU | -1 | -0.792 | -0.862 | 9.478 | 18.409 | 18.409 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 447 | VAL | 0 | 0.030 | 0.018 | 10.430 | -1.235 | -1.235 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 448 | GLU | -1 | -0.825 | -0.925 | 7.631 | 32.442 | 32.442 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 449 | GLN | 0 | -0.064 | -0.036 | 11.909 | -0.638 | -0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 450 | ALA | 0 | 0.030 | 0.015 | 14.705 | -0.975 | -0.975 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 451 | ILE | 0 | -0.029 | -0.015 | 12.557 | -0.908 | -0.908 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 452 | ARG | 1 | 0.943 | 0.975 | 12.462 | -20.712 | -20.712 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 453 | GLN | 0 | -0.062 | -0.026 | 18.000 | -0.684 | -0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 454 | ALA | 0 | -0.048 | -0.009 | 20.793 | -0.694 | -0.694 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 455 | LEU | 0 | 0.021 | 0.028 | 20.992 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |