![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: R8558
Calculation Name: 5DH0-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5DH0
Chain ID: B
UniProt ID: Q47NS2
Base Structure: X-ray
Registration Date: 2023-09-20
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 | 279 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3685123.281877 |
---|---|
FMO2-HF: Nuclear repulsion | 3578496.067244 |
FMO2-HF: Total energy | -106627.214633 |
FMO2-MP2: Total energy | -106944.338491 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F032630/ligand_interaction/ligand_F032630.png)
Ligand Interaction
![ligand interaction](./Kdata/F032630/ligand_interaction/ligand_interaction_F032630.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(B:58:HIS)
Summations of interaction energy for
fragment #1(B:58:HIS)
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. |
8.231 | 10.022 | -0.032 | -0.771 | -0.988 | 0.001 |
Interaction energy analysis for fragmet #1(B:58:HIS)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | B | 60 | HIS | 0 | -0.030 | -0.017 | 3.793 | -0.277 | 1.433 | -0.031 | -0.769 | -0.910 | 0.001 |
4 | B | 61 | HIS | 1 | 0.808 | 0.914 | 6.537 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 62 | HIS | 0 | -0.079 | -0.033 | 4.797 | 0.483 | 0.564 | -0.001 | -0.002 | -0.078 | 0.000 |
6 | B | 63 | SER | 0 | 0.029 | 0.019 | 8.263 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 89 | GLU | -1 | -1.021 | -1.015 | 47.918 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 90 | ILE | 0 | -0.002 | -0.012 | 44.263 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 91 | PRO | 0 | 0.001 | 0.004 | 47.529 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 92 | ALA | 0 | -0.024 | -0.003 | 49.412 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 93 | ASP | -1 | -0.968 | -0.984 | 50.754 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 94 | PRO | 0 | -0.001 | 0.004 | 46.625 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 95 | GLN | 0 | -0.075 | -0.054 | 48.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 96 | ARG | 1 | 0.795 | 0.909 | 47.445 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 97 | ILE | 0 | 0.098 | 0.051 | 41.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 98 | VAL | 0 | -0.029 | -0.006 | 38.886 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 99 | ALA | 0 | 0.003 | 0.004 | 36.830 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 100 | LEU | 0 | 0.007 | -0.002 | 33.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 101 | GLU | -1 | -0.776 | -0.898 | 26.484 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 102 | PHE | 0 | -0.063 | -0.036 | 25.879 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 103 | GLY | 0 | 0.033 | 0.017 | 31.784 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 104 | THR | 0 | -0.014 | -0.011 | 33.987 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 105 | GLU | -1 | -0.805 | -0.914 | 31.348 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 106 | VAL | 0 | -0.002 | 0.008 | 35.336 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 107 | VAL | 0 | -0.020 | -0.009 | 37.984 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 108 | LEU | 0 | 0.003 | 0.002 | 36.550 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 109 | GLU | -1 | -0.848 | -0.895 | 36.783 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 110 | ALA | 0 | -0.006 | 0.008 | 40.760 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 111 | GLY | 0 | -0.068 | -0.023 | 43.419 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 112 | ILE | 0 | -0.051 | -0.029 | 43.888 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 113 | GLU | -1 | -0.955 | -0.981 | 43.526 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 114 | PRO | 0 | -0.052 | -0.005 | 40.282 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 115 | VAL | 0 | -0.026 | -0.034 | 43.137 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 116 | GLY | 0 | -0.018 | -0.020 | 41.086 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 117 | VAL | 0 | 0.005 | 0.014 | 36.363 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 118 | ILE | 0 | 0.003 | 0.001 | 29.424 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 119 | GLU | -1 | -0.960 | -0.997 | 30.945 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 120 | PRO | 0 | 0.002 | 0.020 | 31.392 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 121 | VAL | 0 | 0.011 | -0.003 | 26.615 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 122 | ALA | 0 | 0.009 | -0.007 | 29.966 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 123 | THR | 0 | -0.006 | -0.009 | 25.802 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 124 | LEU | 0 | -0.051 | -0.019 | 26.555 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 125 | TYR | 0 | -0.027 | -0.014 | 29.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 126 | THR | 0 | -0.002 | 0.009 | 33.522 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 127 | ALA | 0 | 0.001 | -0.020 | 36.134 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 128 | GLU | -1 | -0.985 | -0.989 | 37.365 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 129 | GLU | -1 | -0.847 | -0.937 | 37.003 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 130 | PHE | 0 | -0.020 | -0.005 | 33.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 131 | GLU | -1 | -0.944 | -0.961 | 37.130 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 132 | GLN | 0 | 0.024 | 0.010 | 40.314 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 133 | LEU | 0 | 0.022 | 0.027 | 35.702 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 134 | SER | 0 | -0.036 | -0.015 | 37.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 135 | THR | 0 | -0.156 | -0.091 | 39.157 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 136 | TYR | 0 | -0.027 | -0.011 | 40.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 137 | PRO | 0 | -0.015 | -0.010 | 40.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 138 | VAL | 0 | 0.037 | 0.030 | 34.974 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 139 | VAL | 0 | -0.042 | -0.030 | 36.696 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 140 | GLN | 0 | 0.017 | 0.003 | 31.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 141 | SER | 0 | 0.020 | 0.020 | 29.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 142 | ALA | 0 | 0.090 | 0.033 | 25.946 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 143 | SER | 0 | -0.101 | -0.046 | 24.993 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 144 | LEU | 0 | 0.030 | 0.005 | 25.294 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 145 | GLU | -1 | -0.972 | -0.965 | 28.496 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 146 | ILE | 0 | 0.018 | -0.002 | 30.839 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 147 | ASN | 0 | -0.005 | -0.003 | 34.380 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 148 | MET | 0 | 0.037 | -0.003 | 37.224 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 149 | GLU | -1 | -0.959 | -0.977 | 40.082 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 150 | ALA | 0 | 0.009 | 0.016 | 39.869 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 151 | ILE | 0 | 0.009 | 0.009 | 38.011 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 152 | ALA | 0 | -0.022 | -0.017 | 42.192 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 153 | GLU | -1 | -1.005 | -1.011 | 45.219 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 154 | ALA | 0 | -0.003 | 0.017 | 43.968 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 155 | GLN | 0 | -0.111 | -0.055 | 45.968 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 156 | PRO | 0 | 0.021 | 0.022 | 43.808 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 157 | ASP | -1 | -0.837 | -0.920 | 46.479 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 158 | LEU | 0 | 0.001 | -0.010 | 43.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 159 | ILE | 0 | -0.016 | 0.009 | 38.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 160 | ILE | 0 | 0.011 | 0.009 | 38.048 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 161 | GLY | 0 | 0.032 | 0.011 | 34.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 162 | GLY | 0 | 0.033 | -0.002 | 31.204 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 163 | VAL | 0 | -0.047 | -0.020 | 29.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 164 | ARG | 1 | 0.875 | 0.943 | 22.461 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 165 | VAL | 0 | 0.054 | 0.023 | 25.702 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 166 | GLU | -1 | -0.940 | -0.979 | 21.677 | 0.459 | 0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 167 | SER | 0 | -0.069 | -0.038 | 25.126 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 168 | HIS | 0 | -0.024 | -0.009 | 27.241 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 169 | ASP | -1 | -0.933 | -0.975 | 30.138 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 170 | GLU | -1 | -0.983 | -0.996 | 27.830 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 171 | TYR | 0 | 0.022 | -0.011 | 28.732 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 172 | VAL | 0 | -0.008 | 0.016 | 33.080 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 173 | GLY | 0 | -0.044 | -0.022 | 35.221 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 174 | ILE | 0 | 0.031 | 0.017 | 31.939 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 175 | ARG | 1 | 0.885 | 0.945 | 36.187 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 176 | GLU | -1 | -0.969 | -0.968 | 38.290 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 177 | ASP | -1 | -0.977 | -0.999 | 39.070 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 178 | LEU | 0 | -0.019 | -0.019 | 36.953 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 179 | GLU | -1 | -0.824 | -0.915 | 41.326 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 180 | LYS | 1 | 0.791 | 0.908 | 43.998 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 181 | ILE | 0 | -0.086 | -0.032 | 42.636 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 182 | ALA | 0 | -0.011 | -0.009 | 44.908 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 183 | PRO | 0 | 0.011 | 0.010 | 44.622 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 184 | THR | 0 | 0.016 | 0.011 | 38.975 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 185 | VAL | 0 | -0.056 | -0.026 | 38.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 186 | PHE | 0 | 0.017 | 0.000 | 34.560 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 187 | PHE | 0 | 0.001 | -0.002 | 34.456 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 188 | ASP | -1 | -0.844 | -0.929 | 30.455 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 189 | PHE | 0 | -0.063 | -0.026 | 25.123 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 190 | ASP | -1 | -0.885 | -0.953 | 24.278 | 0.463 | 0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 191 | GLY | 0 | -0.016 | -0.007 | 22.076 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 192 | ALA | 0 | 0.004 | -0.003 | 20.804 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 193 | GLY | 0 | 0.078 | 0.042 | 22.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 194 | SER | 0 | -0.017 | -0.018 | 25.065 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 195 | GLY | 0 | 0.006 | 0.009 | 27.498 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 196 | LEU | 0 | 0.022 | 0.010 | 25.078 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 197 | ARG | 1 | 0.890 | 0.962 | 28.069 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 198 | ASN | 0 | -0.028 | -0.029 | 31.614 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 199 | MET | 0 | -0.017 | 0.032 | 29.918 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 200 | THR | 0 | 0.020 | -0.023 | 32.182 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 201 | LEU | 0 | -0.019 | 0.001 | 34.753 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 202 | GLU | -1 | -0.887 | -0.954 | 36.759 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 203 | LEU | 0 | -0.031 | -0.012 | 34.907 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 204 | SER | 0 | 0.015 | 0.000 | 38.604 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 205 | ARG | 1 | 0.778 | 0.877 | 40.312 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 206 | VAL | 0 | -0.047 | -0.012 | 41.614 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 207 | VAL | 0 | -0.049 | -0.014 | 41.876 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 208 | GLY | 0 | -0.017 | -0.006 | 44.599 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 209 | ASP | -1 | -0.818 | -0.905 | 42.964 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 210 | GLY | 0 | -0.010 | -0.020 | 43.578 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 211 | GLU | -1 | -0.942 | -0.966 | 44.231 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 212 | ARG | 1 | 0.843 | 0.914 | 39.521 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 213 | ALA | 0 | 0.013 | 0.005 | 40.022 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 214 | GLU | -1 | -0.848 | -0.912 | 40.570 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 215 | ALA | 0 | -0.004 | 0.008 | 42.353 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 216 | GLU | -1 | -0.888 | -0.957 | 38.513 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 217 | GLN | 0 | -0.027 | -0.022 | 36.774 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 218 | GLN | 0 | -0.013 | -0.009 | 38.714 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 219 | ARG | 1 | 0.923 | 0.980 | 39.476 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 220 | PHE | 0 | 0.003 | -0.004 | 31.335 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 221 | GLU | -1 | -0.953 | -0.984 | 36.867 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 222 | GLU | -1 | -0.935 | -0.969 | 38.060 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 223 | ARG | 1 | 0.775 | 0.869 | 37.878 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 224 | VAL | 0 | 0.022 | 0.017 | 33.517 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 225 | GLU | -1 | -0.964 | -0.981 | 36.108 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 226 | GLU | -1 | -0.970 | -0.992 | 38.867 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 227 | ILE | 0 | -0.009 | -0.010 | 34.702 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 228 | SER | 0 | -0.009 | 0.001 | 34.901 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 229 | THR | 0 | -0.059 | -0.035 | 36.441 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 230 | ALA | 0 | -0.065 | -0.033 | 39.862 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 231 | TYR | 0 | -0.071 | -0.052 | 35.905 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 232 | ALA | 0 | 0.019 | 0.022 | 35.582 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 233 | ASP | -1 | -0.954 | -0.980 | 35.156 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 234 | GLN | 0 | 0.042 | 0.012 | 33.484 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 235 | LEU | 0 | 0.000 | 0.005 | 30.740 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 236 | ALA | 0 | -0.059 | -0.016 | 30.155 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 237 | ASP | -1 | -0.991 | -1.011 | 30.493 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 238 | THR | 0 | -0.066 | -0.022 | 27.535 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 239 | THR | 0 | -0.127 | -0.051 | 21.911 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 240 | PHE | 0 | 0.052 | 0.010 | 23.878 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 241 | ALA | 0 | 0.019 | -0.007 | 18.936 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 242 | LEU | 0 | 0.000 | 0.031 | 19.842 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 243 | VAL | 0 | -0.042 | -0.019 | 17.083 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 244 | PHE | 0 | 0.047 | 0.020 | 15.442 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 245 | GLY | 0 | 0.023 | 0.016 | 16.030 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 246 | VAL | 0 | -0.034 | -0.024 | 12.089 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 247 | ASP | -1 | -0.933 | -0.980 | 15.076 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 248 | GLY | 0 | -0.020 | -0.014 | 12.956 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 249 | GLU | -1 | -0.809 | -0.900 | 7.169 | -0.567 | -0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 250 | PHE | 0 | -0.015 | -0.004 | 11.360 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 251 | ALA | 0 | 0.010 | 0.003 | 11.380 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 252 | VAL | 0 | -0.017 | -0.005 | 12.918 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 253 | VAL | 0 | -0.004 | -0.001 | 14.389 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 254 | ASN | 0 | 0.036 | 0.018 | 15.531 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 255 | THR | 0 | -0.028 | -0.023 | 17.326 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 256 | ASN | 0 | 0.000 | 0.003 | 17.633 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 257 | ALA | 0 | -0.011 | -0.013 | 19.042 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 258 | TRP | 0 | 0.018 | 0.008 | 17.097 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 259 | GLY | 0 | 0.069 | 0.028 | 23.236 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 260 | GLY | 0 | 0.010 | 0.019 | 21.139 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 261 | GLU | -1 | -0.834 | -0.917 | 22.200 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 262 | ILE | 0 | -0.008 | 0.009 | 24.177 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 263 | LEU | 0 | 0.016 | 0.002 | 24.008 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 264 | HIS | 0 | -0.019 | -0.010 | 23.840 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 265 | THR | 0 | -0.078 | -0.046 | 25.915 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 266 | LEU | 0 | -0.030 | -0.003 | 29.094 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 267 | GLY | 0 | -0.052 | -0.024 | 29.238 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 268 | ALA | 0 | -0.027 | -0.001 | 26.829 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 269 | LYS | 1 | 0.909 | 0.968 | 23.946 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 270 | GLN | 0 | -0.042 | -0.035 | 20.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 271 | SER | 0 | 0.009 | 0.000 | 17.377 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 272 | LYS | 1 | 0.912 | 0.953 | 14.720 | -0.503 | -0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 273 | ALA | 0 | -0.011 | 0.005 | 13.068 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 274 | GLN | 0 | 0.009 | 0.018 | 12.560 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 275 | GLN | 0 | 0.001 | 0.006 | 13.529 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 276 | PRO | 0 | -0.064 | -0.034 | 8.271 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 277 | ALA | 0 | -0.003 | 0.010 | 9.489 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 278 | GLY | 0 | -0.050 | -0.024 | 11.443 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 279 | GLU | -1 | -0.923 | -0.964 | 13.616 | 0.654 | 0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 280 | ASN | 0 | -0.063 | -0.021 | 10.716 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 281 | PHE | 0 | 0.044 | 0.013 | 14.127 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 282 | ALA | 0 | 0.025 | 0.013 | 13.353 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 283 | ALA | 0 | -0.004 | 0.017 | 9.815 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 284 | PHE | 0 | -0.020 | -0.016 | 7.214 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 285 | TYR | 0 | -0.059 | -0.067 | 7.318 | 0.791 | 0.791 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 286 | SER | 0 | 0.025 | 0.002 | 6.993 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 287 | TYR | 0 | 0.047 | 0.002 | 8.641 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 288 | GLU | -1 | -0.939 | -0.976 | 9.397 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 289 | GLU | -1 | -0.838 | -0.887 | 5.905 | 1.716 | 1.716 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 290 | ILE | 0 | 0.040 | 0.024 | 10.178 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 291 | ASP | -1 | -0.911 | -0.960 | 13.600 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 292 | GLU | -1 | -1.005 | -1.006 | 10.264 | 0.946 | 0.946 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 293 | LEU | 0 | -0.037 | -0.025 | 13.676 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 294 | SER | 0 | -0.070 | -0.031 | 16.792 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 295 | ASP | -1 | -0.858 | -0.931 | 18.590 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 296 | ALA | 0 | 0.000 | 0.005 | 20.344 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 297 | ASP | -1 | -0.848 | -0.915 | 21.984 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 298 | VAL | 0 | -0.029 | -0.021 | 24.974 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 299 | ILE | 0 | -0.059 | -0.031 | 20.009 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 300 | PHE | 0 | 0.029 | 0.012 | 23.113 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 301 | TYR | 0 | 0.002 | -0.007 | 21.966 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 302 | GLU | -1 | -0.821 | -0.894 | 20.935 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 303 | THR | 0 | -0.037 | -0.018 | 23.568 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 304 | ASP | -1 | -0.834 | -0.911 | 26.466 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 305 | ALA | 0 | 0.028 | -0.001 | 28.878 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 306 | GLN | 0 | -0.083 | -0.052 | 32.171 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 307 | GLU | -1 | -0.982 | -0.989 | 30.587 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 308 | ASN | 0 | -0.016 | -0.013 | 29.769 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 309 | PRO | 0 | -0.002 | 0.014 | 24.568 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 310 | ASP | -1 | -0.810 | -0.900 | 21.422 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 311 | PRO | 0 | 0.051 | -0.004 | 23.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 312 | PHE | 0 | -0.043 | -0.012 | 17.858 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 313 | THR | 0 | -0.012 | -0.004 | 18.949 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 314 | GLU | -1 | -0.918 | -0.961 | 20.751 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 315 | ALA | 0 | -0.008 | -0.002 | 19.256 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 316 | LEU | 0 | -0.050 | -0.023 | 15.615 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 317 | LEU | 0 | -0.028 | -0.011 | 18.540 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 318 | GLU | -1 | -0.974 | -0.975 | 21.716 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 319 | GLN | 0 | -0.080 | -0.028 | 16.136 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 320 | LYS | 1 | 0.911 | 0.933 | 19.547 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 321 | LEU | 0 | 0.013 | -0.017 | 14.615 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 322 | TRP | 0 | 0.104 | 0.062 | 17.605 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 323 | GLN | 0 | -0.041 | -0.031 | 19.676 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 324 | SER | 0 | -0.057 | -0.024 | 20.522 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 325 | LEU | 0 | -0.008 | 0.021 | 17.629 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 326 | PRO | 0 | 0.046 | 0.025 | 21.373 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 327 | ALA | 0 | 0.062 | 0.034 | 23.192 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 328 | VAL | 0 | -0.079 | -0.023 | 22.333 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 329 | GLU | -1 | -0.972 | -0.994 | 25.236 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 330 | ALA | 0 | -0.080 | -0.032 | 27.509 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 331 | GLY | 0 | -0.060 | -0.031 | 28.857 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 332 | GLN | 0 | -0.033 | -0.006 | 27.677 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 333 | VAL | 0 | 0.002 | -0.005 | 24.147 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 334 | HIS | 0 | -0.021 | -0.010 | 26.434 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 335 | PRO | 0 | 0.027 | 0.018 | 26.599 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 336 | LEU | 0 | 0.000 | 0.000 | 25.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 337 | ARG | 1 | 0.913 | 0.965 | 26.864 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 338 | TYR | 0 | 0.001 | -0.024 | 28.886 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 339 | SER | 0 | 0.008 | -0.020 | 22.585 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 340 | ALA | 0 | -0.007 | -0.014 | 24.469 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 341 | ALA | 0 | -0.006 | -0.006 | 25.484 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 342 | ARG | 1 | 0.909 | 0.945 | 25.849 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 343 | THR | 0 | 0.003 | -0.013 | 29.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 344 | TYR | 0 | 0.035 | 0.002 | 32.896 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 345 | ALA | 0 | 0.044 | 0.038 | 35.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 346 | GLN | 0 | -0.015 | -0.001 | 30.533 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 347 | ALA | 0 | 0.032 | 0.002 | 31.020 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 348 | ASN | 0 | -0.042 | -0.032 | 32.025 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 349 | ILE | 0 | -0.005 | 0.017 | 32.884 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 350 | VAL | 0 | -0.025 | -0.008 | 28.187 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 351 | LEU | 0 | 0.009 | 0.005 | 31.224 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 352 | ASP | -1 | -0.900 | -0.953 | 33.236 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 353 | GLN | 0 | -0.034 | -0.012 | 30.554 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 354 | ILE | 0 | 0.031 | 0.015 | 28.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 355 | GLU | -1 | -0.830 | -0.895 | 31.726 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 356 | GLU | -1 | -0.958 | -0.982 | 35.005 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 357 | VAL | 0 | -0.008 | -0.001 | 29.955 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 358 | LEU | 0 | -0.004 | 0.005 | 31.745 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 359 | LYS | 1 | 0.903 | 0.969 | 34.375 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 360 | GLY | 0 | -0.087 | -0.024 | 36.153 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 361 | LEU | 0 | -0.103 | -0.047 | 32.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |