FMODB ID: 2NMMR
Calculation Name: 2UUT-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2UUT
Chain ID: A
UniProt ID: Q69014
Base Structure: X-ray
Registration Date: 2023-09-23
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 | OptH |
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 | 492 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9178356.444406 |
---|---|
FMO2-HF: Nuclear repulsion | 8988938.068853 |
FMO2-HF: Total energy | -189418.375553 |
FMO2-MP2: Total energy | -189970.713044 |
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:1:ASP)
Summations of interaction energy for
fragment #1(A:1: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. |
-78.895 | -76.158 | 0.165 | -1.445 | -1.457 | 0.009 |
Interaction energy analysis for fragmet #1(A:1: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 | 3 | PHE | 0 | -0.031 | -0.023 | 3.810 | -2.913 | -0.961 | -0.024 | -0.954 | -0.973 | 0.006 |
4 | A | 4 | GLN | 0 | 0.024 | 0.003 | 6.699 | -3.599 | -3.599 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | TRP | 0 | 0.023 | 0.000 | 10.494 | -1.001 | -1.001 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | LYS | 1 | 0.834 | 0.910 | 12.910 | -15.149 | -15.149 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | GLY | 0 | 0.023 | 0.011 | 15.099 | -0.914 | -0.914 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | LEU | 0 | -0.042 | -0.013 | 13.487 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | PRO | 0 | 0.014 | 0.030 | 9.358 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | VAL | 0 | -0.028 | -0.015 | 8.166 | -1.883 | -1.883 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | VAL | 0 | 0.065 | 0.038 | 3.099 | 1.839 | 2.624 | 0.189 | -0.491 | -0.484 | 0.003 |
12 | A | 12 | LYS | 1 | 0.960 | 0.976 | 5.031 | -30.914 | -30.914 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | SER | 0 | -0.029 | -0.016 | 6.384 | 1.209 | 1.209 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLY | 0 | 0.004 | 0.014 | 9.113 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LEU | 0 | -0.057 | -0.030 | 10.386 | -1.503 | -1.503 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ASP | -1 | -0.828 | -0.938 | 13.130 | 16.326 | 16.326 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | VAL | 0 | -0.084 | -0.026 | 15.887 | -0.795 | -0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLY | 0 | -0.005 | 0.014 | 18.186 | -0.823 | -0.823 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | GLY | 0 | 0.041 | 0.014 | 19.313 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | MET | 0 | -0.063 | -0.042 | 20.291 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | PRO | 0 | -0.024 | -0.007 | 23.862 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | THR | 0 | 0.015 | 0.016 | 27.228 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | GLY | 0 | 0.030 | -0.003 | 30.253 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | THR | 0 | -0.055 | -0.045 | 32.858 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | ARG | 1 | 0.938 | 0.944 | 35.185 | -8.335 | -8.335 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | TYR | 0 | -0.037 | -0.011 | 37.320 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | HIS | 1 | 0.824 | 0.905 | 40.141 | -7.047 | -7.047 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ARG | 1 | 0.854 | 0.909 | 43.440 | -6.418 | -6.418 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | SER | 0 | -0.049 | -0.063 | 46.209 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | PRO | 0 | -0.024 | -0.021 | 49.303 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ALA | 0 | -0.006 | 0.013 | 51.856 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | TRP | 0 | -0.071 | -0.033 | 51.240 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | PRO | 0 | -0.010 | 0.008 | 51.229 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | GLU | -1 | -0.825 | -0.925 | 51.619 | 5.748 | 5.748 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | GLU | -1 | -0.959 | -0.973 | 47.904 | 6.585 | 6.585 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | GLN | 0 | -0.048 | -0.033 | 51.094 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | PRO | 0 | -0.001 | -0.001 | 51.603 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | GLY | 0 | 0.000 | -0.006 | 51.109 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | GLU | -1 | -0.848 | -0.906 | 47.279 | 6.541 | 6.541 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | THR | 0 | -0.007 | 0.000 | 42.717 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | HIS | 0 | -0.022 | -0.031 | 39.953 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | ALA | 0 | 0.057 | 0.039 | 40.344 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | PRO | 0 | 0.007 | 0.015 | 37.492 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ALA | 0 | 0.007 | 0.020 | 32.864 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | PRO | 0 | -0.029 | -0.004 | 31.090 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | PHE | 0 | -0.030 | 0.024 | 30.698 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | GLY | 0 | 0.020 | 0.003 | 29.753 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | SER | 0 | 0.020 | -0.001 | 30.296 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLY | 0 | 0.016 | 0.019 | 32.131 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ASP | -1 | -0.806 | -0.910 | 34.250 | 8.145 | 8.145 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | LYS | 1 | 0.966 | 0.980 | 35.974 | -7.554 | -7.554 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ARG | 1 | 0.817 | 0.903 | 36.426 | -8.196 | -8.196 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | TYR | 0 | -0.031 | -0.024 | 34.656 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | THR | 0 | 0.035 | 0.026 | 32.402 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | PHE | 0 | 0.001 | 0.009 | 29.044 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | SER | 0 | 0.056 | 0.034 | 23.395 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLN | 0 | 0.052 | -0.019 | 25.117 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | THR | 0 | 0.023 | 0.027 | 19.224 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | GLU | -1 | -0.826 | -0.914 | 21.037 | 12.847 | 12.847 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | MET | 0 | -0.061 | -0.015 | 22.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | LEU | 0 | 0.002 | -0.017 | 18.480 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | VAL | 0 | 0.001 | 0.000 | 17.442 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ASN | 0 | -0.015 | -0.006 | 20.019 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | GLY | 0 | -0.042 | -0.013 | 23.101 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | LEU | 0 | 0.018 | -0.004 | 16.745 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LYS | 1 | 0.926 | 0.961 | 18.917 | -13.356 | -13.356 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PRO | 0 | -0.036 | -0.029 | 19.744 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | TYR | 0 | -0.017 | 0.006 | 18.413 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | THR | 0 | -0.011 | -0.007 | 15.390 | 1.320 | 1.320 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | GLU | -1 | -0.939 | -0.972 | 16.434 | 15.780 | 15.780 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | PRO | 0 | -0.026 | -0.001 | 17.605 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | THR | 0 | -0.046 | -0.006 | 20.441 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ALA | 0 | 0.019 | 0.004 | 24.218 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | -0.013 | -0.001 | 26.649 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | VAL | 0 | -0.009 | -0.006 | 28.155 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | PRO | 0 | 0.029 | 0.020 | 30.252 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | PRO | 0 | 0.089 | 0.012 | 29.146 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | GLN | 0 | 0.005 | 0.009 | 31.850 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | LEU | 0 | 0.021 | 0.014 | 35.347 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | LEU | 0 | 0.010 | 0.011 | 30.066 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | SER | 0 | 0.008 | 0.005 | 34.275 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ARG | 1 | 0.959 | 0.983 | 35.932 | -7.455 | -7.455 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | ALA | 0 | 0.025 | 0.005 | 36.284 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | VAL | 0 | 0.038 | 0.016 | 33.628 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | THR | 0 | -0.073 | -0.027 | 36.911 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | HIS | 0 | 0.058 | 0.044 | 40.232 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | VAL | 0 | 0.015 | 0.009 | 37.101 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ARG | 1 | 0.959 | 0.978 | 38.118 | -7.964 | -7.964 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | SER | 0 | -0.033 | -0.011 | 40.178 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | TYR | 0 | 0.036 | 0.011 | 43.609 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ILE | 0 | 0.050 | 0.027 | 39.289 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | GLU | -1 | -0.920 | -0.954 | 42.450 | 7.226 | 7.226 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | THR | 0 | -0.099 | -0.048 | 44.876 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | ILE | 0 | -0.018 | 0.006 | 45.977 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ILE | 0 | -0.011 | -0.010 | 41.368 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | GLY | 0 | 0.020 | 0.021 | 46.068 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | THR | 0 | -0.020 | -0.035 | 44.141 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | HIS | 0 | 0.027 | 0.023 | 44.114 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ARG | 1 | 0.945 | 0.990 | 37.555 | -7.815 | -7.815 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | SER | 0 | -0.031 | -0.029 | 39.550 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | PRO | 0 | 0.009 | 0.001 | 39.146 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | VAL | 0 | 0.008 | 0.024 | 34.231 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LEU | 0 | -0.065 | -0.014 | 35.722 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | THR | 0 | 0.011 | -0.007 | 36.352 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | TYR | 0 | 0.063 | 0.013 | 31.287 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | HIS | 0 | 0.049 | 0.023 | 35.336 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLN | 0 | 0.110 | 0.061 | 37.968 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | ALA | 0 | -0.024 | -0.008 | 33.166 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | CYS | 0 | -0.044 | -0.038 | 33.656 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | GLU | -1 | -0.909 | -0.956 | 34.715 | 7.285 | 7.285 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | LEU | 0 | -0.060 | -0.030 | 35.615 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | LEU | 0 | -0.065 | -0.016 | 30.095 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | GLU | -1 | -0.924 | -0.955 | 32.336 | 8.099 | 8.099 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ARG | 1 | 1.020 | 0.993 | 32.422 | -7.421 | -7.421 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | THR | 0 | 0.047 | 0.022 | 34.349 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | THR | 0 | -0.065 | -0.025 | 29.570 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | SER | 0 | -0.035 | -0.016 | 26.052 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | CYS | 0 | 0.017 | 0.014 | 25.525 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | GLY | 0 | 0.036 | 0.040 | 22.460 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | PRO | 0 | -0.080 | -0.050 | 17.392 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | PHE | 0 | -0.020 | -0.013 | 15.180 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | VAL | 0 | 0.021 | 0.017 | 20.015 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | GLN | 0 | 0.016 | 0.010 | 23.412 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | GLY | 0 | 0.070 | 0.055 | 25.427 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | LEU | 0 | -0.070 | -0.050 | 28.030 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | LYS | 1 | 0.894 | 0.939 | 28.167 | -9.879 | -9.879 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | GLY | 0 | 0.023 | 0.010 | 31.361 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ASP | -1 | -0.931 | -0.952 | 32.363 | 8.717 | 8.717 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | TYR | 0 | -0.088 | -0.072 | 28.484 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | TRP | 0 | -0.042 | -0.025 | 34.296 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ASP | -1 | -0.866 | -0.930 | 37.068 | 7.055 | 7.055 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | GLU | -1 | -0.895 | -0.969 | 40.230 | 7.052 | 7.052 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.939 | -0.985 | 42.844 | 6.258 | 6.258 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLN | 0 | -0.087 | -0.027 | 40.855 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLN | 0 | -0.081 | -0.028 | 41.640 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | GLN | 0 | -0.004 | 0.005 | 37.400 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | TYR | 0 | -0.031 | -0.015 | 33.075 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | THR | 0 | 0.036 | 0.017 | 35.010 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | GLY | 0 | 0.023 | -0.001 | 32.884 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | VAL | 0 | -0.001 | -0.015 | 27.225 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | LEU | 0 | 0.001 | 0.003 | 27.206 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ALA | 0 | 0.042 | 0.034 | 28.769 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ASN | 0 | 0.079 | 0.046 | 26.302 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | HIS | 0 | -0.095 | -0.045 | 21.229 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | LEU | 0 | 0.003 | -0.013 | 25.565 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | GLU | -1 | -0.905 | -0.938 | 27.941 | 9.121 | 9.121 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | GLN | 0 | -0.057 | -0.027 | 24.903 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ALA | 0 | -0.056 | -0.026 | 24.341 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | TRP | 0 | 0.018 | -0.012 | 25.390 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ASP | -1 | -0.900 | -0.951 | 28.440 | 10.129 | 10.129 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | LYS | 1 | 0.949 | 0.965 | 20.778 | -13.013 | -13.013 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ALA | 0 | 0.038 | 0.026 | 25.568 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ASN | 0 | -0.016 | -0.016 | 26.750 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | LYS | 1 | 0.845 | 0.937 | 26.885 | -10.568 | -10.568 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | GLY | 0 | -0.026 | -0.009 | 26.337 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ILE | 0 | -0.044 | -0.022 | 20.430 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | ALA | 0 | 0.061 | 0.025 | 20.490 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | PRO | 0 | -0.052 | -0.015 | 20.196 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ARG | 1 | 0.995 | 0.994 | 15.044 | -15.740 | -15.740 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ASN | 0 | 0.083 | 0.059 | 17.279 | -1.275 | -1.275 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ALA | 0 | -0.014 | -0.003 | 15.913 | 0.741 | 0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | TYR | 0 | -0.030 | -0.029 | 17.117 | -1.194 | -1.194 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | LYS | 1 | 0.963 | 0.994 | 17.569 | -11.424 | -11.424 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | LEU | 0 | -0.015 | 0.001 | 16.540 | -0.720 | -0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | ALA | 0 | -0.014 | -0.007 | 19.984 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | LEU | 0 | 0.011 | -0.003 | 23.277 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LYS | 1 | 0.926 | 0.964 | 26.271 | -10.194 | -10.194 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ASP | -1 | -0.849 | -0.887 | 29.715 | 8.555 | 8.555 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | GLU | -1 | -0.837 | -0.924 | 32.711 | 8.948 | 8.948 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | LEU | 0 | 0.039 | 0.021 | 35.607 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ARG | 1 | 0.843 | 0.923 | 33.721 | -8.687 | -8.687 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | PRO | 0 | 0.034 | 0.020 | 36.979 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ILE | 0 | 0.095 | 0.050 | 38.053 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | GLU | -1 | -0.860 | -0.947 | 39.086 | 7.613 | 7.613 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | LYS | 1 | 0.869 | 0.922 | 34.193 | -8.323 | -8.323 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | ASN | 0 | 0.034 | 0.000 | 34.109 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | LYS | 1 | 0.968 | 0.991 | 34.685 | -7.251 | -7.251 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ALA | 0 | -0.041 | -0.005 | 32.957 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLY | 0 | 0.038 | 0.020 | 30.862 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | LYS | 1 | 0.879 | 0.931 | 29.366 | -9.492 | -9.492 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ARG | 1 | 0.881 | 0.915 | 28.231 | -10.207 | -10.207 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ARG | 1 | 0.880 | 0.945 | 27.659 | -8.965 | -8.965 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | LEU | 0 | 0.054 | 0.040 | 21.572 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LEU | 0 | -0.044 | -0.031 | 24.333 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | TRP | 0 | 0.026 | 0.012 | 17.655 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | GLY | 0 | 0.013 | 0.006 | 22.684 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | CYS | 0 | 0.016 | 0.008 | 22.002 | 0.602 | 0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ASP | -1 | -0.804 | -0.910 | 20.189 | 12.881 | 12.881 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | 0.022 | 0.010 | 22.230 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ALA | 0 | 0.012 | 0.016 | 22.846 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | THR | 0 | 0.009 | -0.019 | 20.759 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | THR | 0 | -0.022 | -0.014 | 24.047 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | LEU | 0 | 0.007 | 0.029 | 27.215 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ILE | 0 | 0.030 | 0.023 | 25.869 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | ALA | 0 | 0.040 | 0.014 | 26.961 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | THR | 0 | -0.087 | -0.071 | 28.842 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ALA | 0 | 0.001 | -0.002 | 31.687 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | -0.004 | 0.016 | 30.666 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | PHE | 0 | 0.043 | 0.002 | 29.101 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.998 | 1.017 | 34.049 | -8.199 | -8.199 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ALA | 0 | 0.024 | 0.014 | 36.253 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | VAL | 0 | -0.005 | 0.014 | 36.691 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | ALA | 0 | -0.005 | -0.016 | 35.987 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | THR | 0 | -0.052 | -0.048 | 38.060 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ARG | 1 | 0.821 | 0.906 | 41.301 | -7.447 | -7.447 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | LEU | 0 | -0.004 | 0.002 | 38.212 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | GLN | 0 | 0.018 | 0.019 | 41.109 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | VAL | 0 | -0.055 | -0.036 | 43.171 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | VAL | 0 | 0.025 | 0.019 | 45.423 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | THR | 0 | -0.059 | 0.021 | 44.151 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | PRO | 0 | -0.003 | -0.019 | 46.032 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | MET | 0 | 0.004 | -0.019 | 47.093 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | THR | 0 | -0.010 | 0.003 | 41.648 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | PRO | 0 | 0.039 | 0.005 | 41.252 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | VAL | 0 | -0.048 | -0.021 | 37.796 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ALA | 0 | 0.060 | 0.036 | 40.258 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | VAL | 0 | -0.053 | -0.048 | 36.632 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | GLY | 0 | 0.013 | 0.004 | 39.805 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | ILE | 0 | -0.072 | -0.009 | 42.115 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | ASN | 0 | 0.053 | 0.038 | 44.835 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | MET | 0 | -0.049 | -0.039 | 45.677 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | ASP | -1 | -0.707 | -0.804 | 48.529 | 6.137 | 6.137 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | SER | 0 | 0.070 | 0.031 | 50.873 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | VAL | 0 | 0.053 | 0.010 | 53.184 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | GLN | 0 | 0.074 | 0.039 | 47.863 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | MET | 0 | 0.006 | 0.027 | 50.159 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | GLN | 0 | 0.009 | -0.013 | 51.161 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | VAL | 0 | 0.018 | 0.024 | 51.960 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | MET | 0 | -0.004 | 0.010 | 45.624 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ASN | 0 | -0.029 | -0.026 | 50.891 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ASP | -1 | -0.909 | -0.976 | 53.332 | 5.436 | 5.436 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | SER | 0 | -0.079 | -0.032 | 51.060 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | LEU | 0 | -0.002 | -0.012 | 49.035 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LYS | 1 | 0.894 | 0.960 | 52.933 | -5.493 | -5.493 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | GLY | 0 | 0.015 | 0.011 | 56.110 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | GLY | 0 | 0.026 | 0.031 | 53.199 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | VAL | 0 | -0.078 | -0.040 | 51.024 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | LEU | 0 | 0.045 | 0.020 | 48.652 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | TYR | 0 | -0.011 | -0.017 | 45.332 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | CYS | 0 | -0.007 | 0.026 | 44.894 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | LEU | 0 | -0.069 | -0.037 | 40.165 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ASP | -1 | -0.873 | -0.952 | 37.831 | 8.052 | 8.052 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | TYR | 0 | -0.033 | -0.014 | 34.099 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | SER | 0 | -0.023 | 0.013 | 32.497 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | LYS | 1 | 0.837 | 0.906 | 26.019 | -11.053 | -11.053 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | TRP | 0 | 0.105 | 0.050 | 28.671 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ASP | -1 | -0.852 | -0.920 | 26.127 | 10.675 | 10.675 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | SER | 0 | -0.067 | -0.033 | 23.665 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | THR | 0 | -0.020 | -0.007 | 23.933 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | GLN | 0 | 0.016 | 0.018 | 25.507 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ASN | 0 | 0.059 | 0.007 | 24.265 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | PRO | 0 | 0.047 | 0.009 | 20.768 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | ALA | 0 | 0.037 | 0.023 | 23.222 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | VAL | 0 | -0.034 | -0.005 | 25.781 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | THR | 0 | 0.029 | 0.004 | 24.969 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | ALA | 0 | 0.039 | 0.021 | 24.876 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ALA | 0 | -0.001 | 0.005 | 26.777 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | SER | 0 | -0.032 | -0.059 | 29.947 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | LEU | 0 | -0.028 | -0.013 | 25.466 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | ALA | 0 | 0.073 | 0.040 | 29.841 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ILE | 0 | -0.060 | -0.026 | 31.699 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | LEU | 0 | -0.032 | -0.018 | 31.562 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | GLU | -1 | -0.888 | -0.949 | 31.187 | 9.609 | 9.609 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ARG | 1 | 0.785 | 0.902 | 33.857 | -7.707 | -7.707 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | PHE | 0 | -0.057 | -0.030 | 37.165 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ALA | 0 | 0.032 | 0.019 | 35.206 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | GLU | -1 | -0.877 | -0.959 | 37.348 | 8.006 | 8.006 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | PRO | 0 | -0.051 | -0.031 | 34.746 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | HIS | 0 | 0.071 | 0.058 | 33.355 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | PRO | 0 | 0.040 | 0.011 | 29.640 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ILE | 0 | 0.029 | 0.009 | 28.560 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | VAL | 0 | -0.002 | -0.003 | 28.655 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | SER | 0 | -0.015 | -0.008 | 27.924 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | CYS | 0 | 0.017 | 0.028 | 24.636 | 0.549 | 0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | ALA | 0 | -0.030 | -0.016 | 23.999 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | ILE | 0 | -0.010 | 0.001 | 24.995 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLU | -1 | -0.925 | -0.931 | 19.722 | 14.647 | 14.647 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | ALA | 0 | -0.001 | -0.011 | 20.140 | 0.617 | 0.617 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | LEU | 0 | -0.074 | -0.051 | 20.513 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | SER | 0 | -0.059 | -0.039 | 22.124 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | SER | 0 | -0.016 | 0.014 | 16.630 | 0.665 | 0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | PRO | 0 | 0.010 | -0.014 | 14.177 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | ALA | 0 | -0.010 | 0.010 | 15.933 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | GLU | -1 | -0.877 | -0.944 | 11.979 | 22.667 | 22.667 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | GLY | 0 | -0.015 | -0.026 | 14.486 | -1.002 | -1.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | TYR | 0 | 0.012 | 0.002 | 12.653 | 1.441 | 1.441 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | VAL | 0 | -0.010 | -0.022 | 14.339 | -1.352 | -1.352 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | ASN | 0 | -0.031 | -0.005 | 14.523 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | ASP | -1 | -0.764 | -0.887 | 12.101 | 20.755 | 20.755 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ILE | 0 | -0.048 | -0.006 | 9.693 | 1.974 | 1.974 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | LYS | 1 | 0.846 | 0.907 | 7.874 | -27.225 | -27.225 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | PHE | 0 | 0.012 | 0.002 | 9.608 | 1.606 | 1.606 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | VAL | 0 | 0.024 | 0.012 | 9.249 | -1.210 | -1.210 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | THR | 0 | -0.110 | -0.040 | 12.241 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | ARG | 1 | 0.986 | 0.971 | 9.861 | -23.231 | -23.231 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | GLY | 0 | -0.015 | 0.005 | 16.040 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | GLY | 0 | -0.019 | 0.001 | 19.785 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | LEU | 0 | 0.036 | -0.009 | 21.612 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | PRO | 0 | -0.012 | 0.009 | 20.840 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | SER | 0 | -0.023 | -0.030 | 22.998 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | GLY | 0 | -0.042 | -0.022 | 24.858 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | MET | 0 | -0.004 | 0.020 | 23.422 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | PRO | 0 | 0.069 | 0.017 | 24.780 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | PHE | 0 | -0.008 | 0.000 | 27.903 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | THR | 0 | 0.009 | 0.031 | 28.480 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | SER | 0 | 0.051 | 0.015 | 29.776 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | VAL | 0 | 0.026 | 0.027 | 33.392 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | VAL | 0 | 0.052 | 0.023 | 28.019 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | ASN | 0 | -0.008 | -0.017 | 28.292 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | SER | 0 | 0.013 | 0.007 | 31.620 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | ILE | 0 | 0.031 | 0.018 | 33.486 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | ASN | 0 | 0.021 | 0.029 | 28.038 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | HIS | 0 | -0.048 | -0.008 | 32.468 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | MET | 0 | -0.040 | 0.003 | 35.233 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | ILE | 0 | 0.018 | 0.002 | 32.672 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | TYR | 0 | 0.000 | -0.009 | 28.659 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | VAL | 0 | 0.012 | 0.013 | 35.257 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | ALA | 0 | 0.008 | 0.015 | 38.799 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | ALA | 0 | -0.009 | -0.015 | 36.129 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | ALA | 0 | 0.028 | 0.021 | 37.832 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | ILE | 0 | 0.000 | 0.008 | 39.122 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | LEU | 0 | -0.029 | -0.024 | 40.967 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | GLN | 0 | 0.054 | 0.039 | 37.120 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | ALA | 0 | -0.025 | -0.002 | 41.068 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | TYR | 0 | -0.010 | -0.038 | 43.730 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | GLU | -1 | -0.961 | -0.985 | 41.068 | 7.572 | 7.572 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | SER | 0 | -0.067 | -0.018 | 43.078 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | HIS | 0 | -0.055 | -0.035 | 45.008 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | ASN | 0 | -0.057 | -0.023 | 47.917 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | VAL | 0 | 0.002 | 0.013 | 49.430 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | PRO | 0 | -0.021 | -0.011 | 49.375 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | TYR | 0 | -0.038 | -0.046 | 47.328 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | THR | 0 | -0.022 | -0.021 | 49.226 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | GLY | 0 | 0.043 | 0.033 | 50.792 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | ASN | 0 | -0.008 | -0.027 | 44.835 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | VAL | 0 | 0.056 | 0.021 | 42.906 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | PHE | 0 | -0.056 | -0.037 | 40.189 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | GLN | 0 | 0.003 | 0.024 | 46.178 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | VAL | 0 | -0.058 | -0.025 | 49.398 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | GLU | -1 | -0.762 | -0.807 | 46.948 | 6.545 | 6.545 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | THR | 0 | 0.020 | 0.023 | 48.125 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ILE | 0 | -0.064 | -0.038 | 41.372 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | HIS | 0 | 0.044 | 0.019 | 43.586 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | THR | 0 | -0.064 | -0.032 | 38.081 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | TYR | 0 | 0.061 | 0.016 | 36.214 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | GLY | 0 | -0.009 | -0.014 | 33.940 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | GLY | 0 | -0.004 | 0.006 | 34.152 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | ASP | -1 | -0.815 | -0.886 | 35.158 | 7.434 | 7.434 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | CYS | 0 | -0.042 | -0.030 | 38.700 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | MET | 0 | -0.011 | 0.017 | 41.374 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | TYR | 0 | -0.031 | -0.067 | 38.984 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | SER | 0 | 0.029 | 0.011 | 45.880 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | VAL | 0 | -0.012 | -0.013 | 46.878 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | CYS | 0 | 0.059 | 0.046 | 49.854 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | PRO | 0 | 0.035 | -0.009 | 52.110 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | ALA | 0 | 0.027 | 0.022 | 52.880 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | THR | 0 | 0.017 | -0.033 | 46.974 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | ALA | 0 | -0.042 | -0.016 | 48.915 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | SER | 0 | -0.088 | -0.043 | 50.454 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | ILE | 0 | 0.034 | 0.020 | 47.178 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | PHE | 0 | 0.027 | -0.003 | 43.946 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | HIS | 0 | -0.010 | -0.004 | 43.831 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | THR | 0 | 0.015 | 0.001 | 42.255 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | VAL | 0 | 0.010 | 0.026 | 41.370 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | LEU | 0 | -0.005 | -0.015 | 39.814 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | ALA | 0 | 0.006 | -0.010 | 38.391 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | ASN | 0 | -0.004 | 0.002 | 36.943 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 368 | LEU | 0 | 0.020 | 0.019 | 35.172 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 369 | THR | 0 | -0.101 | -0.040 | 33.658 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | SER | 0 | -0.045 | -0.024 | 32.587 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | TYR | 0 | -0.002 | -0.017 | 30.792 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | GLY | 0 | -0.002 | 0.011 | 28.330 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 373 | LEU | 0 | -0.050 | -0.015 | 29.085 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | LYS | 1 | 0.939 | 0.954 | 28.078 | -10.563 | -10.563 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | PRO | 0 | 0.085 | 0.060 | 33.572 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | THR | 0 | -0.073 | -0.039 | 37.024 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 377 | ALA | 0 | 0.036 | 0.000 | 38.958 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | ILE | 0 | -0.009 | -0.014 | 41.569 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | LYS | 1 | 0.951 | 0.976 | 44.895 | -6.236 | -6.236 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | PRO | 0 | 0.007 | 0.015 | 48.522 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | THR | 0 | -0.013 | 0.000 | 49.272 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | ASN | 0 | 0.008 | -0.007 | 51.853 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | THR | 0 | -0.020 | -0.011 | 51.847 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | PRO | 0 | 0.011 | 0.003 | 49.765 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | VAL | 0 | -0.003 | -0.005 | 45.102 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | PHE | 0 | 0.018 | -0.005 | 41.634 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | LEU | 0 | 0.042 | 0.008 | 40.232 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | LYS | 1 | 0.853 | 0.918 | 40.820 | -7.353 | -7.353 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | ARG | 1 | 0.773 | 0.904 | 44.130 | -6.594 | -6.594 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | THR | 0 | 0.055 | 0.027 | 47.675 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | PHE | 0 | -0.034 | -0.030 | 48.387 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | THR | 0 | -0.030 | -0.015 | 52.769 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | GLN | 0 | 0.005 | -0.008 | 56.205 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | THR | 0 | 0.012 | -0.002 | 58.755 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | PRO | 0 | -0.002 | -0.018 | 61.574 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | HIS | 0 | 0.026 | 0.025 | 62.634 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | GLY | 0 | 0.020 | 0.024 | 61.065 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | ILE | 0 | -0.084 | -0.031 | 55.645 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | ARG | 1 | 0.935 | 0.979 | 54.939 | -5.340 | -5.340 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | ALA | 0 | 0.058 | 0.046 | 49.534 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | LEU | 0 | -0.014 | -0.015 | 51.167 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | LEU | 0 | 0.026 | 0.009 | 46.142 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | ASP | -1 | -0.886 | -0.942 | 46.253 | 6.557 | 6.557 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | ILE | 0 | 0.082 | 0.021 | 49.165 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | THR | 0 | 0.006 | -0.002 | 47.671 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 406 | SER | 0 | -0.062 | -0.038 | 45.074 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 407 | ILE | 0 | 0.020 | 0.023 | 46.718 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 408 | THR | 0 | 0.035 | 0.011 | 49.703 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 409 | ARG | 1 | 0.969 | 0.988 | 43.181 | -6.951 | -6.951 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 410 | GLN | 0 | -0.036 | -0.025 | 45.626 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 411 | PHE | 0 | 0.067 | 0.034 | 47.364 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 412 | TYR | 0 | 0.025 | 0.017 | 48.036 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 413 | TRP | 0 | -0.037 | -0.017 | 43.055 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 414 | LEU | 0 | 0.023 | 0.027 | 44.833 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 415 | LYS | 1 | 0.890 | 0.955 | 35.620 | -8.011 | -8.011 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 416 | ALA | 0 | 0.029 | 0.010 | 41.035 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 417 | ASN | 0 | 0.065 | 0.038 | 39.933 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 418 | ARG | 1 | 0.879 | 0.920 | 30.179 | -9.248 | -9.248 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 419 | THR | 0 | 0.009 | 0.028 | 37.100 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 420 | SER | 0 | -0.001 | -0.018 | 35.024 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 421 | ASP | -1 | -0.820 | -0.908 | 37.319 | 7.130 | 7.130 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 422 | PRO | 0 | -0.025 | -0.011 | 39.521 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 423 | SER | 0 | -0.019 | 0.005 | 42.110 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 424 | SER | 0 | 0.009 | 0.017 | 43.287 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 425 | PRO | 0 | 0.060 | 0.014 | 45.883 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 426 | PRO | 0 | -0.055 | -0.010 | 45.404 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 427 | ALA | 0 | 0.010 | 0.003 | 44.900 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 428 | PHE | 0 | -0.032 | -0.034 | 44.899 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 429 | ASP | -1 | -0.870 | -0.935 | 46.910 | 6.303 | 6.303 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 430 | ARG | 1 | 0.938 | 0.955 | 49.202 | -5.805 | -5.805 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 431 | GLN | 0 | 0.021 | 0.021 | 51.481 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 432 | ALA | 0 | 0.060 | 0.030 | 47.016 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 433 | ARG | 1 | 0.764 | 0.874 | 47.723 | -6.253 | -6.253 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 434 | SER | 0 | 0.033 | 0.001 | 49.599 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 435 | ALA | 0 | 0.037 | 0.029 | 50.386 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 436 | GLN | 0 | -0.045 | 0.001 | 46.202 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 437 | LEU | 0 | -0.025 | -0.034 | 49.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 438 | GLU | -1 | -0.745 | -0.852 | 52.261 | 5.304 | 5.304 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 439 | ASN | 0 | 0.038 | 0.019 | 49.153 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 440 | ALA | 0 | -0.043 | -0.006 | 50.612 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 441 | LEU | 0 | 0.013 | -0.005 | 51.994 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 442 | ALA | 0 | 0.042 | 0.039 | 54.682 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 443 | TYR | 0 | -0.071 | -0.044 | 48.953 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 444 | ALA | 0 | -0.029 | -0.023 | 53.719 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 445 | SER | 0 | -0.031 | -0.019 | 55.642 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 446 | GLN | 0 | 0.038 | 0.005 | 55.772 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 447 | HIS | 0 | -0.066 | -0.023 | 52.913 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 448 | GLY | 0 | -0.016 | 0.009 | 58.113 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 449 | PRO | 0 | 0.018 | 0.000 | 61.417 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 450 | VAL | 0 | 0.032 | 0.013 | 62.674 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 451 | MET | 0 | 0.013 | -0.001 | 57.738 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 452 | PHE | 0 | -0.034 | -0.014 | 59.001 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 453 | ASP | -1 | -0.895 | -0.950 | 60.312 | 4.881 | 4.881 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 454 | THR | 0 | -0.046 | -0.012 | 58.548 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 455 | VAL | 0 | 0.022 | -0.002 | 55.026 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 456 | ARG | 1 | 0.929 | 0.985 | 57.496 | -4.785 | -4.785 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 457 | GLN | 0 | -0.007 | -0.004 | 60.186 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 458 | ILE | 0 | 0.004 | 0.009 | 54.163 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 459 | ALA | 0 | 0.018 | 0.011 | 56.202 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 460 | ILE | 0 | -0.015 | -0.011 | 57.214 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 461 | LYS | 1 | 0.874 | 0.961 | 56.413 | -5.485 | -5.485 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 462 | THR | 0 | 0.000 | -0.020 | 52.718 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 463 | ALA | 0 | -0.003 | 0.005 | 55.676 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 464 | GLN | 0 | 0.001 | 0.016 | 57.499 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 465 | GLY | 0 | 0.002 | 0.002 | 56.695 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 466 | GLU | -1 | -0.779 | -0.868 | 50.779 | 6.155 | 6.155 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 467 | GLY | 0 | -0.022 | -0.010 | 54.559 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 468 | LEU | 0 | -0.089 | -0.053 | 52.798 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 469 | VAL | 0 | 0.022 | 0.002 | 57.055 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 470 | LEU | 0 | -0.054 | -0.025 | 55.271 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 471 | VAL | 0 | 0.038 | 0.002 | 59.051 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 472 | ASN | 0 | -0.029 | -0.006 | 56.747 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 473 | THR | 0 | 0.018 | -0.018 | 60.058 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 474 | ASN | 0 | -0.018 | -0.021 | 61.608 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 475 | TYR | 0 | 0.065 | 0.017 | 61.873 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 476 | ASP | -1 | -0.863 | -0.936 | 63.407 | 4.665 | 4.665 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 477 | GLN | 0 | -0.003 | 0.007 | 63.256 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 478 | ALA | 0 | -0.006 | 0.008 | 59.070 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 479 | LEU | 0 | -0.025 | -0.021 | 59.424 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 480 | ALA | 0 | -0.035 | 0.009 | 61.343 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 481 | THR | 0 | -0.027 | -0.028 | 56.862 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 482 | TYR | 0 | -0.039 | -0.048 | 52.489 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 483 | ASN | 0 | -0.023 | -0.013 | 57.044 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 484 | ALA | 0 | -0.010 | -0.010 | 58.867 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 485 | TRP | 0 | 0.039 | 0.022 | 52.466 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 486 | PHE | 0 | -0.031 | -0.010 | 54.479 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 487 | ILE | 0 | -0.066 | -0.049 | 56.073 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 488 | GLY | 0 | -0.017 | 0.011 | 57.141 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 489 | GLY | 0 | -0.026 | -0.011 | 53.026 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 490 | THR | 0 | -0.101 | -0.052 | 51.659 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 491 | PRO | 0 | -0.003 | -0.006 | 47.261 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 492 | ASP | -1 | -0.925 | -0.948 | 45.099 | 6.121 | 6.121 | 0.000 | 0.000 | 0.000 | 0.000 |