FMODB ID: 94QZ2
Calculation Name: 3ESH-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3ESH
Chain ID: A
UniProt ID: A0A0H3
Base Structure: X-ray
Registration Date: 2023-06-26
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 | 277 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4206420.926972 |
---|---|
FMO2-HF: Nuclear repulsion | 4094830.349538 |
FMO2-HF: Total energy | -111590.577434 |
FMO2-MP2: Total energy | -111917.643647 |
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:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-19.816 | -11.398 | 15.475 | -7.44 | -16.45 | -0.05 |
Interaction energy analysis for fragmet #1(A:1:MET)
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 | ILE | 0 | -0.002 | 0.001 | 2.312 | -1.525 | 0.430 | 2.309 | -1.430 | -2.833 | -0.002 |
4 | A | 4 | GLY | 0 | 0.030 | 0.006 | 5.383 | -0.195 | -0.134 | -0.001 | -0.003 | -0.057 | 0.000 |
5 | A | 5 | ASP | -1 | -0.923 | -0.962 | 8.726 | 0.523 | 0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | ILE | 0 | -0.064 | -0.033 | 7.087 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | SER | 0 | -0.032 | 0.004 | 3.880 | -0.048 | 0.118 | -0.001 | -0.043 | -0.122 | 0.000 |
8 | A | 8 | ILE | 0 | -0.030 | -0.023 | 2.498 | -0.500 | 0.899 | 0.539 | -0.506 | -1.431 | 0.000 |
9 | A | 9 | HIS | 0 | 0.033 | 0.014 | 2.101 | -12.758 | -10.985 | 5.372 | -3.339 | -3.806 | -0.036 |
10 | A | 10 | TYR | 0 | -0.021 | -0.008 | 4.418 | 0.668 | 0.790 | -0.001 | -0.021 | -0.099 | 0.000 |
11 | A | 11 | LEU | 0 | 0.006 | 0.003 | 7.542 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ASN | 0 | 0.025 | -0.016 | 11.021 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLY | 0 | 0.018 | 0.002 | 14.062 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLY | 0 | 0.040 | 0.021 | 16.509 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ASN | 0 | -0.009 | -0.026 | 17.368 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | THR | 0 | -0.016 | 0.001 | 19.684 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | LYS | 1 | 0.770 | 0.863 | 21.964 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | MET | 0 | 0.009 | 0.013 | 23.633 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ASP | -1 | -0.818 | -0.908 | 25.604 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | GLY | 0 | 0.062 | 0.001 | 25.550 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | GLY | 0 | -0.037 | -0.022 | 26.610 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | ALA | 0 | 0.002 | 0.005 | 28.156 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | MET | 0 | 0.031 | 0.021 | 20.824 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | PHE | 0 | -0.029 | -0.014 | 21.020 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLY | 0 | 0.036 | 0.030 | 25.705 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | VAL | 0 | -0.019 | -0.013 | 28.806 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | VAL | 0 | -0.023 | 0.011 | 25.379 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | PRO | 0 | 0.023 | 0.007 | 28.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | LYS | 1 | 0.971 | 0.975 | 29.401 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | PRO | 0 | -0.042 | -0.010 | 29.085 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | LEU | 0 | -0.016 | -0.009 | 27.368 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | TRP | 0 | 0.100 | 0.051 | 24.489 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | SER | 0 | -0.083 | -0.057 | 24.286 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LYS | 1 | 0.877 | 0.940 | 25.346 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | GLN | 0 | -0.035 | -0.009 | 20.611 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | TYR | 0 | 0.048 | 0.015 | 16.612 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ASN | 0 | 0.004 | 0.017 | 21.251 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ALA | 0 | 0.015 | 0.002 | 23.324 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | ASN | 0 | -0.012 | -0.007 | 26.128 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | GLU | -1 | -0.914 | -0.970 | 28.640 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ARG | 1 | 0.865 | 0.939 | 31.013 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | ASN | 0 | -0.039 | -0.024 | 29.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | GLN | 0 | 0.044 | 0.033 | 26.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ILE | 0 | 0.008 | 0.008 | 21.413 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASN | 0 | -0.037 | -0.040 | 18.899 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | LEU | 0 | -0.001 | 0.005 | 18.094 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | PRO | 0 | 0.023 | 0.015 | 14.473 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | THR | 0 | -0.018 | -0.009 | 16.104 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | HIS | 0 | -0.014 | -0.004 | 11.112 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | PRO | 0 | -0.043 | -0.003 | 11.481 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ILE | 0 | 0.020 | 0.000 | 6.705 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | LEU | 0 | -0.015 | 0.008 | 7.485 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ILE | 0 | -0.007 | -0.018 | 6.775 | -0.757 | -0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLN | 0 | -0.010 | -0.014 | 7.633 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | THR | 0 | -0.004 | -0.005 | 9.014 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ALA | 0 | 0.020 | -0.007 | 11.720 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLN | 0 | -0.073 | -0.037 | 14.044 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | TYR | 0 | 0.022 | 0.020 | 15.107 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ASN | 0 | 0.029 | 0.025 | 12.188 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | LEU | 0 | -0.007 | -0.017 | 11.846 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ILE | 0 | -0.009 | 0.006 | 11.474 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ILE | 0 | -0.037 | -0.015 | 10.751 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | ASP | -1 | -0.761 | -0.877 | 13.542 | -0.716 | -0.716 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ALA | 0 | 0.007 | -0.018 | 15.616 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | GLY | 0 | 0.027 | 0.031 | 17.222 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ILE | 0 | -0.054 | -0.027 | 18.150 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLY | 0 | 0.016 | 0.005 | 20.722 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | ASN | 0 | -0.053 | -0.047 | 22.126 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLY | 0 | 0.006 | 0.000 | 24.933 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | LYS | 1 | 0.792 | 0.903 | 25.985 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | LEU | 0 | 0.013 | 0.016 | 25.581 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | SER | 0 | -0.001 | -0.009 | 29.020 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | GLU | -1 | -0.805 | -0.921 | 31.316 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | LYS | 1 | 0.877 | 0.935 | 33.114 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | GLN | 0 | 0.032 | 0.027 | 29.891 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | LEU | 0 | 0.093 | 0.062 | 26.863 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ARG | 1 | 0.941 | 0.973 | 28.745 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | ASN | 0 | -0.115 | -0.070 | 30.758 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | PHE | 0 | 0.022 | 0.011 | 26.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | GLY | 0 | 0.011 | 0.019 | 25.789 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | VAL | 0 | 0.012 | 0.028 | 23.339 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ASP | -1 | -0.871 | -0.908 | 22.703 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLU | -1 | -0.852 | -0.906 | 18.427 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | GLU | -1 | -0.863 | -0.936 | 21.900 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | SER | 0 | -0.045 | -0.014 | 18.735 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | HIS | 0 | 0.006 | 0.006 | 17.004 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ILE | 0 | 0.023 | 0.010 | 14.448 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ILE | 0 | 0.000 | -0.005 | 15.331 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | ALA | 0 | -0.002 | -0.010 | 16.464 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ASP | -1 | -0.783 | -0.889 | 11.869 | -0.604 | -0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | LEU | 0 | -0.005 | -0.013 | 11.657 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ALA | 0 | 0.040 | 0.034 | 12.830 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ASN | 0 | -0.088 | -0.029 | 11.256 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | TYR | 0 | -0.030 | -0.022 | 5.212 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASN | 0 | -0.141 | -0.078 | 10.848 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LEU | 0 | 0.002 | 0.019 | 11.203 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | THR | 0 | 0.004 | -0.006 | 14.898 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | PRO | 0 | 0.019 | 0.018 | 17.651 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | LYS | 1 | 0.716 | 0.826 | 18.568 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ASP | -1 | -0.799 | -0.901 | 16.405 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ILE | 0 | -0.058 | -0.019 | 13.785 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | ASP | -1 | -0.784 | -0.889 | 16.429 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | TYR | 0 | -0.040 | -0.023 | 16.679 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | VAL | 0 | 0.016 | 0.018 | 16.163 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | LEU | 0 | -0.054 | -0.042 | 14.430 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | MET | 0 | 0.045 | 0.035 | 16.669 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | THR | 0 | -0.040 | 0.001 | 15.711 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | HIS | 1 | 0.787 | 0.867 | 18.695 | 0.647 | 0.647 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | MET | 0 | 0.009 | 0.008 | 21.485 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | HIS | 0 | -0.007 | 0.009 | 23.312 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | PHE | 0 | 0.048 | 0.005 | 23.288 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ASP | -1 | -0.859 | -0.928 | 20.826 | -0.498 | -0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | HIS | 1 | 0.787 | 0.896 | 17.250 | 0.621 | 0.621 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ALA | 0 | 0.064 | 0.028 | 19.587 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | ALA | 0 | -0.026 | 0.000 | 22.312 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | GLY | 0 | -0.014 | -0.002 | 20.892 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | LEU | 0 | -0.008 | -0.002 | 20.665 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | THR | 0 | -0.053 | 0.002 | 22.842 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ASP | -1 | -0.806 | -0.894 | 25.795 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | GLN | 0 | -0.002 | -0.028 | 27.336 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ALA | 0 | -0.060 | -0.031 | 30.953 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | GLY | 0 | -0.013 | -0.018 | 30.147 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | HIS | 0 | 0.034 | 0.030 | 27.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | ALA | 0 | -0.009 | -0.018 | 25.529 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ILE | 0 | -0.030 | 0.014 | 20.368 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | PHE | 0 | 0.010 | -0.014 | 16.464 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | GLU | -1 | -0.756 | -0.862 | 21.291 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ASN | 0 | -0.063 | -0.036 | 22.030 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ALA | 0 | -0.008 | 0.018 | 19.611 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ILE | 0 | -0.018 | -0.008 | 21.211 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | HIS | 0 | -0.049 | -0.023 | 20.919 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | VAL | 0 | -0.007 | -0.002 | 20.165 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | VAL | 0 | 0.010 | -0.004 | 21.206 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLN | 0 | -0.006 | 0.020 | 23.319 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLN | 0 | -0.008 | -0.037 | 24.985 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ASP | -1 | -0.846 | -0.939 | 28.664 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | GLU | -1 | -0.765 | -0.816 | 24.392 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | TRP | 0 | 0.028 | 0.005 | 27.180 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | HIS | 0 | 0.003 | -0.008 | 28.881 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | GLU | -1 | -0.840 | -0.893 | 30.644 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | PHE | 0 | -0.048 | -0.020 | 28.200 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | ILE | 0 | -0.048 | -0.035 | 30.314 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ALA | 0 | -0.045 | -0.017 | 33.392 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | PRO | 0 | 0.022 | 0.042 | 32.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ASN | 0 | 0.036 | 0.021 | 34.101 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ILE | 0 | -0.066 | -0.071 | 36.318 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ARG | 1 | 0.833 | 0.922 | 30.504 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | SER | 0 | -0.007 | -0.029 | 31.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | LYS | 1 | 1.000 | 1.010 | 31.590 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | SER | 0 | -0.083 | -0.051 | 32.113 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | THR | 0 | -0.011 | 0.007 | 27.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | TYR | 0 | -0.006 | -0.013 | 26.375 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | TRP | 0 | -0.049 | -0.050 | 27.984 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ASP | -1 | -0.784 | -0.886 | 30.636 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | LYS | 1 | 0.758 | 0.860 | 30.515 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ASN | 0 | 0.010 | 0.001 | 26.815 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LYS | 1 | 0.870 | 0.948 | 27.859 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLY | 0 | 0.059 | 0.009 | 29.496 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ASP | -1 | -0.858 | -0.890 | 29.365 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | TYR | 0 | 0.046 | 0.015 | 24.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | SER | 0 | -0.134 | -0.089 | 26.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ASN | 0 | -0.062 | -0.031 | 29.114 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | LYS | 1 | 0.833 | 0.915 | 25.389 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | LEU | 0 | 0.004 | 0.015 | 25.704 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | ILE | 0 | -0.016 | -0.008 | 24.572 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | LEU | 0 | -0.022 | -0.011 | 25.229 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | PHE | 0 | -0.010 | -0.006 | 21.246 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | GLU | -1 | -0.881 | -0.930 | 26.106 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | LYS | 1 | 1.008 | 1.005 | 24.440 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | HIS | 0 | 0.001 | -0.016 | 21.435 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | PHE | 0 | 0.029 | 0.003 | 20.631 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLU | -1 | -0.791 | -0.869 | 17.490 | -0.492 | -0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | PRO | 0 | -0.053 | -0.015 | 17.376 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | 0.030 | 0.030 | 14.934 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | PRO | 0 | -0.009 | -0.024 | 16.496 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | GLY | 0 | 0.028 | 0.023 | 13.401 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ILE | 0 | -0.035 | -0.003 | 10.992 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | LYS | 1 | 0.831 | 0.888 | 13.867 | 0.584 | 0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | MET | 0 | 0.006 | 0.022 | 15.410 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | GLN | 0 | -0.049 | -0.044 | 17.636 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | HIS | 0 | -0.055 | -0.035 | 19.688 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | SER | 0 | -0.016 | -0.009 | 20.097 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLY | 0 | 0.016 | 0.023 | 22.242 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | GLY | 0 | 0.020 | -0.012 | 23.501 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | HIS | 1 | 0.841 | 0.911 | 22.579 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | SER | 0 | 0.024 | -0.029 | 24.486 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | PHE | 0 | 0.010 | 0.016 | 25.946 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | GLY | 0 | 0.057 | 0.028 | 26.033 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | HIS | 0 | -0.038 | -0.019 | 18.078 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | THR | 0 | 0.009 | 0.014 | 18.044 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ILE | 0 | -0.068 | -0.016 | 14.979 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | ILE | 0 | 0.027 | -0.004 | 12.343 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | THR | 0 | 0.001 | 0.004 | 10.884 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ILE | 0 | -0.002 | -0.009 | 7.044 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLU | -1 | -0.847 | -0.902 | 8.762 | -0.723 | -0.723 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | SER | 0 | 0.025 | 0.018 | 9.347 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | GLN | 0 | -0.038 | -0.025 | 9.579 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLY | 0 | -0.023 | -0.011 | 10.850 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ASP | -1 | -0.887 | -0.919 | 5.552 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.875 | 0.918 | 6.812 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ALA | 0 | 0.000 | 0.005 | 4.596 | -0.488 | -0.412 | -0.001 | -0.006 | -0.069 | 0.000 |
202 | A | 202 | VAL | 0 | -0.013 | -0.003 | 6.643 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | HIS | 0 | -0.015 | 0.000 | 8.981 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | MET | 0 | 0.000 | -0.008 | 10.945 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | GLY | 0 | 0.101 | 0.046 | 13.991 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ASP | -1 | -0.841 | -0.939 | 15.933 | -0.628 | -0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ILE | 0 | -0.057 | -0.012 | 17.436 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | PHE | 0 | -0.069 | -0.063 | 13.266 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | PRO | 0 | -0.016 | 0.007 | 14.673 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | THR | 0 | 0.004 | -0.006 | 14.294 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | THR | 0 | 0.012 | -0.018 | 11.709 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ALA | 0 | -0.011 | 0.003 | 14.350 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | HIS | 0 | -0.059 | -0.030 | 17.226 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | LYS | 1 | 0.915 | 0.988 | 15.251 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ASN | 0 | -0.009 | 0.006 | 17.344 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | PRO | 0 | 0.113 | 0.037 | 20.785 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | LEU | 0 | 0.003 | -0.015 | 22.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | TRP | 0 | -0.063 | -0.030 | 22.022 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | VAL | 0 | -0.024 | -0.008 | 22.134 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | THR | 0 | -0.016 | -0.021 | 22.442 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ALA | 0 | -0.013 | -0.027 | 25.097 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | TYR | 0 | -0.028 | -0.033 | 25.275 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ASP | -1 | -0.798 | -0.829 | 24.176 | -0.403 | -0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | ASP | -1 | -0.836 | -0.900 | 27.029 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | TYR | 0 | -0.038 | -0.018 | 28.520 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | PRO | 0 | 0.072 | 0.032 | 27.218 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | MET | 0 | -0.022 | -0.021 | 27.322 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | GLN | 0 | -0.037 | -0.021 | 25.221 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | SER | 0 | 0.009 | -0.041 | 23.348 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ILE | 0 | -0.026 | 0.001 | 22.870 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ARG | 1 | 0.955 | 0.999 | 23.918 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | GLU | -1 | -0.794 | -0.890 | 20.919 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | LYS | 1 | 0.814 | 0.921 | 18.935 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | GLU | -1 | -0.995 | -1.001 | 19.681 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | ARG | 1 | 0.825 | 0.892 | 21.079 | 0.398 | 0.398 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | MET | 0 | -0.065 | -0.017 | 16.572 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ILE | 0 | 0.029 | 0.016 | 14.572 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | PRO | 0 | 0.030 | 0.014 | 15.270 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | TYR | 0 | -0.010 | 0.011 | 15.478 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | PHE | 0 | 0.029 | -0.009 | 11.831 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | ILE | 0 | -0.016 | 0.003 | 11.852 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | GLN | 0 | 0.021 | 0.030 | 13.215 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | GLN | 0 | -0.093 | -0.057 | 12.865 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | GLN | 0 | -0.056 | -0.025 | 9.504 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | TYR | 0 | -0.019 | -0.027 | 7.914 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | TRP | 0 | -0.059 | -0.025 | 2.699 | -3.380 | -1.379 | 2.555 | -0.895 | -3.660 | -0.009 |
247 | A | 247 | PHE | 0 | -0.012 | -0.026 | 5.418 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | LEU | 0 | 0.039 | 0.016 | 3.864 | -0.463 | -0.259 | 0.001 | -0.022 | -0.182 | 0.000 |
249 | A | 249 | PHE | 0 | -0.042 | -0.011 | 7.564 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | TYR | 0 | 0.001 | -0.018 | 9.734 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | HIS | 0 | 0.007 | -0.013 | 12.476 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | ASP | -1 | -0.786 | -0.869 | 11.737 | -0.603 | -0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | GLU | -1 | -0.862 | -0.933 | 12.583 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ASN | 0 | -0.041 | 0.005 | 13.320 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | TYR | 0 | 0.011 | -0.001 | 9.024 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | PHE | 0 | 0.003 | 0.010 | 2.280 | -1.025 | -0.182 | 0.856 | -0.411 | -1.288 | 0.001 |
257 | A | 257 | ALA | 0 | -0.005 | -0.022 | 3.865 | -0.676 | -0.463 | 0.003 | -0.045 | -0.172 | 0.000 |
258 | A | 258 | VAL | 0 | -0.017 | 0.005 | 5.848 | 0.603 | 0.603 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | LYS | 1 | 0.852 | 0.922 | 5.033 | 0.941 | 0.941 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | TYR | 0 | -0.017 | -0.023 | 7.636 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | SER | 0 | -0.018 | -0.023 | 11.423 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ASP | -1 | -0.888 | -0.959 | 13.519 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | ASP | -1 | -0.906 | -0.904 | 15.776 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | GLY | 0 | 0.020 | 0.008 | 16.606 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | GLU | -1 | -1.005 | -1.016 | 17.548 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ASN | 0 | -0.003 | -0.004 | 16.295 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ILE | 0 | -0.021 | -0.003 | 9.343 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ASP | -1 | -0.910 | -0.953 | 11.971 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ALA | 0 | -0.019 | -0.013 | 6.890 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | TYR | 0 | 0.053 | 0.021 | 7.738 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ILE | 0 | -0.055 | -0.024 | 2.412 | -0.247 | -0.642 | 3.844 | -0.719 | -2.731 | -0.004 |
272 | A | 272 | LEU | 0 | 0.017 | -0.005 | 6.233 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ARG | 1 | 0.817 | 0.912 | 7.459 | 1.126 | 1.126 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLU | -1 | -0.866 | -0.944 | 9.200 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | THR | 0 | -0.039 | -0.010 | 10.972 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | LEU | 0 | -0.028 | -0.014 | 12.723 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | VAL | 0 | 0.005 | 0.010 | 15.580 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |