![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: QV11Y
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 | 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 | 279 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3687267.291846 |
---|---|
FMO2-HF: Nuclear repulsion | 3580639.118398 |
FMO2-HF: Total energy | -106628.173448 |
FMO2-MP2: Total energy | -106945.337428 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F032629/ligand_interaction/ligand_F032629.png)
Ligand Interaction
![ligand interaction](./Kdata/F032629/ligand_interaction/ligand_interaction_F032629.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. |
8.392 | 10.194 | -0.032 | -0.823 | -0.947 | 0.002 |
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 | -0.032 | -0.024 | 3.793 | -0.420 | 1.382 | -0.032 | -0.823 | -0.947 | 0.002 |
4 | B | 61 | HIS | 1 | 0.804 | 0.909 | 6.510 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 62 | HIS | 0 | -0.076 | -0.032 | 4.880 | 0.646 | 0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 63 | SER | 0 | 0.029 | 0.019 | 8.276 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 89 | GLU | -1 | -1.021 | -1.021 | 47.926 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 90 | ILE | 0 | 0.014 | 0.001 | 44.324 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 91 | PRO | 0 | -0.008 | -0.001 | 47.569 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 92 | ALA | 0 | -0.021 | -0.006 | 49.420 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 93 | ASP | -1 | -0.956 | -0.980 | 50.693 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 94 | PRO | 0 | 0.000 | 0.018 | 46.606 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 95 | GLN | 0 | -0.080 | -0.061 | 48.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 96 | ARG | 1 | 0.807 | 0.896 | 47.446 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 97 | ILE | 0 | 0.097 | 0.048 | 41.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 98 | VAL | 0 | -0.034 | -0.008 | 39.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 99 | ALA | 0 | 0.007 | 0.006 | 36.950 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 100 | LEU | 0 | 0.012 | 0.003 | 33.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 101 | GLU | -1 | -0.728 | -0.856 | 26.671 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 102 | PHE | 0 | -0.049 | -0.033 | 25.807 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 103 | GLY | 0 | 0.043 | 0.023 | 31.794 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 104 | THR | 0 | -0.008 | -0.010 | 33.980 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 105 | GLU | -1 | -0.776 | -0.880 | 31.245 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 106 | VAL | 0 | -0.007 | 0.005 | 35.346 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 107 | VAL | 0 | -0.017 | -0.009 | 37.993 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 108 | LEU | 0 | -0.017 | 0.001 | 36.421 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 109 | GLU | -1 | -0.820 | -0.872 | 36.728 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 110 | ALA | 0 | -0.013 | 0.008 | 40.768 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 111 | GLY | 0 | -0.061 | -0.022 | 43.430 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 112 | ILE | 0 | -0.059 | -0.032 | 43.840 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 113 | GLU | -1 | -0.951 | -0.976 | 43.537 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 114 | PRO | 0 | -0.052 | -0.007 | 40.235 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 115 | VAL | 0 | -0.028 | -0.033 | 43.149 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 116 | GLY | 0 | -0.018 | -0.019 | 41.100 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 117 | VAL | 0 | 0.002 | 0.011 | 36.444 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 118 | ILE | 0 | 0.001 | 0.001 | 29.497 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 119 | GLU | -1 | -0.934 | -0.988 | 30.997 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 120 | PRO | 0 | -0.006 | 0.024 | 31.407 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 121 | VAL | 0 | 0.016 | -0.009 | 26.566 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 122 | ALA | 0 | 0.004 | -0.007 | 29.980 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 123 | THR | 0 | -0.006 | -0.011 | 25.745 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 124 | LEU | 0 | -0.042 | -0.012 | 26.543 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 125 | TYR | 0 | -0.053 | -0.045 | 29.852 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 126 | THR | 0 | -0.014 | -0.040 | 33.533 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 127 | ALA | 0 | -0.013 | -0.026 | 36.144 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 128 | GLU | -1 | -0.985 | -0.992 | 37.376 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 129 | GLU | -1 | -0.786 | -0.868 | 37.098 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 130 | PHE | 0 | -0.014 | -0.004 | 33.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 131 | GLU | -1 | -0.940 | -0.957 | 37.142 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 132 | GLN | 0 | 0.013 | 0.008 | 40.328 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 133 | LEU | 0 | 0.021 | 0.023 | 35.541 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 134 | SER | 0 | -0.043 | -0.027 | 37.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 135 | THR | 0 | -0.156 | -0.081 | 39.172 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 136 | TYR | 0 | -0.023 | -0.012 | 40.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 137 | PRO | 0 | -0.010 | -0.005 | 40.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 138 | VAL | 0 | 0.016 | 0.024 | 34.945 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 139 | VAL | 0 | -0.040 | -0.030 | 36.858 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 140 | GLN | 0 | -0.004 | -0.013 | 31.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 141 | SER | 0 | 0.043 | 0.036 | 29.917 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 142 | ALA | 0 | 0.097 | 0.035 | 26.025 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 143 | SER | 0 | -0.111 | -0.054 | 25.005 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 144 | LEU | 0 | 0.025 | 0.002 | 25.915 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 145 | GLU | -1 | -0.970 | -0.959 | 28.510 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 146 | ILE | 0 | 0.014 | -0.006 | 30.854 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 147 | ASN | 0 | -0.009 | -0.002 | 34.394 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 148 | MET | 0 | 0.045 | 0.002 | 36.966 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 149 | GLU | -1 | -0.967 | -0.982 | 40.097 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 150 | ALA | 0 | 0.024 | 0.020 | 39.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 151 | ILE | 0 | 0.010 | 0.008 | 37.932 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 152 | ALA | 0 | -0.018 | -0.018 | 42.206 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 153 | GLU | -1 | -1.014 | -1.008 | 45.220 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 154 | ALA | 0 | 0.002 | 0.013 | 43.944 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 155 | GLN | 0 | -0.114 | -0.046 | 45.982 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 156 | PRO | 0 | 0.018 | 0.026 | 43.728 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 157 | ASP | -1 | -0.868 | -0.938 | 46.491 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 158 | LEU | 0 | -0.002 | -0.009 | 43.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 159 | ILE | 0 | -0.020 | 0.008 | 38.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 160 | ILE | 0 | 0.017 | 0.011 | 37.853 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 161 | GLY | 0 | 0.032 | 0.011 | 34.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 162 | GLY | 0 | 0.030 | 0.005 | 31.213 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 163 | VAL | 0 | -0.065 | -0.031 | 29.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 164 | ARG | 1 | 0.864 | 0.922 | 22.750 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 165 | VAL | 0 | 0.051 | 0.025 | 25.773 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 166 | GLU | -1 | -0.922 | -0.969 | 22.120 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 167 | SER | 0 | -0.071 | -0.051 | 25.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 168 | HIS | 0 | -0.068 | -0.039 | 27.250 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 169 | ASP | -1 | -0.945 | -0.979 | 30.120 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 170 | GLU | -1 | -0.947 | -0.971 | 27.757 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 171 | TYR | 0 | 0.031 | -0.008 | 28.882 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 172 | VAL | 0 | 0.001 | 0.021 | 33.090 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 173 | GLY | 0 | -0.044 | -0.021 | 35.232 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 174 | ILE | 0 | 0.015 | 0.006 | 31.830 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 175 | ARG | 1 | 0.849 | 0.919 | 36.198 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 176 | GLU | -1 | -0.938 | -0.967 | 38.301 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 177 | ASP | -1 | -0.912 | -0.960 | 39.205 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 178 | LEU | 0 | 0.003 | -0.003 | 36.947 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 179 | GLU | -1 | -0.776 | -0.864 | 41.338 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 180 | LYS | 1 | 0.691 | 0.853 | 43.071 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 181 | ILE | 0 | -0.091 | -0.034 | 42.493 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 182 | ALA | 0 | -0.006 | -0.004 | 44.860 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 183 | PRO | 0 | 0.012 | 0.010 | 44.633 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 184 | THR | 0 | -0.007 | -0.009 | 38.985 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 185 | VAL | 0 | -0.062 | -0.030 | 39.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 186 | PHE | 0 | 0.014 | -0.001 | 34.558 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 187 | PHE | 0 | -0.002 | -0.004 | 34.573 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 188 | ASP | -1 | -0.837 | -0.914 | 30.519 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 189 | PHE | 0 | -0.055 | -0.024 | 24.975 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 190 | ASP | -1 | -0.875 | -0.944 | 24.115 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 191 | GLY | 0 | -0.022 | -0.014 | 22.080 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 192 | ALA | 0 | 0.000 | -0.008 | 20.773 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 193 | GLY | 0 | 0.059 | 0.036 | 22.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 194 | SER | 0 | -0.012 | -0.029 | 25.067 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 195 | GLY | 0 | -0.033 | -0.005 | 27.493 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 196 | LEU | 0 | 0.008 | 0.009 | 24.676 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 197 | ARG | 1 | 0.875 | 0.936 | 27.916 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 198 | ASN | 0 | -0.001 | 0.002 | 31.623 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 199 | MET | 0 | -0.011 | 0.026 | 29.744 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 200 | THR | 0 | 0.022 | -0.022 | 32.131 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 201 | LEU | 0 | -0.018 | 0.021 | 34.760 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 202 | GLU | -1 | -0.842 | -0.915 | 36.648 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 203 | LEU | 0 | -0.045 | -0.020 | 34.605 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 204 | SER | 0 | 0.022 | -0.014 | 38.474 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 205 | ARG | 1 | 0.720 | 0.837 | 39.937 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 206 | VAL | 0 | -0.070 | -0.023 | 41.600 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 207 | VAL | 0 | -0.040 | -0.012 | 41.957 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 208 | GLY | 0 | -0.011 | -0.002 | 44.608 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 209 | ASP | -1 | -0.821 | -0.898 | 42.632 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 210 | GLY | 0 | -0.001 | -0.011 | 43.583 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 211 | GLU | -1 | -0.950 | -0.966 | 44.236 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 212 | ARG | 1 | 0.779 | 0.858 | 39.551 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 213 | ALA | 0 | 0.020 | 0.010 | 40.014 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 214 | GLU | -1 | -0.826 | -0.902 | 40.574 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 215 | ALA | 0 | -0.028 | -0.005 | 42.356 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 216 | GLU | -1 | -0.820 | -0.909 | 38.552 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 217 | GLN | 0 | -0.051 | -0.034 | 37.324 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 218 | GLN | 0 | -0.034 | -0.019 | 38.715 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 219 | ARG | 1 | 0.853 | 0.944 | 39.007 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 220 | PHE | 0 | -0.017 | -0.010 | 31.296 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 221 | GLU | -1 | -0.893 | -0.953 | 36.867 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 222 | GLU | -1 | -0.929 | -0.969 | 38.060 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 223 | ARG | 1 | 0.744 | 0.814 | 37.752 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 224 | VAL | 0 | 0.003 | 0.007 | 33.500 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 225 | GLU | -1 | -0.958 | -0.976 | 36.106 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 226 | GLU | -1 | -0.908 | -0.919 | 38.864 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 227 | ILE | 0 | 0.003 | -0.004 | 34.797 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 228 | SER | 0 | 0.007 | 0.006 | 34.743 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 229 | THR | 0 | -0.081 | -0.046 | 36.437 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 230 | ALA | 0 | -0.068 | -0.034 | 39.856 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 231 | TYR | 0 | -0.069 | -0.060 | 35.997 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 232 | ALA | 0 | 0.022 | 0.026 | 35.582 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 233 | ASP | -1 | -0.952 | -0.979 | 35.156 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 234 | GLN | 0 | 0.038 | 0.014 | 33.467 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 235 | LEU | 0 | -0.009 | 0.002 | 30.932 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 236 | ALA | 0 | -0.059 | -0.015 | 30.155 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 237 | ASP | -1 | -0.953 | -0.987 | 30.493 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 238 | THR | 0 | -0.076 | -0.035 | 27.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 239 | THR | 0 | -0.121 | -0.051 | 22.039 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 240 | PHE | 0 | 0.062 | 0.017 | 23.878 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 241 | ALA | 0 | 0.015 | -0.005 | 18.940 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 242 | LEU | 0 | 0.010 | 0.037 | 19.841 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 243 | VAL | 0 | -0.029 | -0.017 | 17.124 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 244 | PHE | 0 | 0.044 | 0.020 | 15.552 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 245 | GLY | 0 | 0.021 | 0.013 | 16.037 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 246 | VAL | 0 | -0.038 | -0.028 | 12.120 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 247 | ASP | -1 | -0.931 | -0.973 | 14.980 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 248 | GLY | 0 | -0.026 | -0.018 | 12.957 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 249 | GLU | -1 | -0.798 | -0.889 | 6.935 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 250 | PHE | 0 | -0.008 | -0.010 | 11.369 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 251 | ALA | 0 | 0.013 | 0.009 | 11.386 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 252 | VAL | 0 | -0.014 | -0.006 | 12.916 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 253 | VAL | 0 | -0.008 | -0.002 | 14.390 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 254 | ASN | 0 | 0.037 | 0.019 | 15.446 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 255 | THR | 0 | -0.026 | -0.028 | 17.324 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 256 | ASN | 0 | -0.027 | -0.013 | 17.720 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 257 | ALA | 0 | -0.007 | -0.007 | 19.028 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 258 | TRP | 0 | 0.017 | 0.004 | 17.038 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 259 | GLY | 0 | 0.079 | 0.035 | 23.239 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 260 | GLY | 0 | 0.021 | 0.021 | 21.137 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 261 | GLU | -1 | -0.764 | -0.858 | 22.200 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 262 | ILE | 0 | -0.025 | 0.005 | 24.176 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 263 | LEU | 0 | 0.018 | 0.005 | 23.940 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 264 | HIS | 0 | -0.013 | -0.010 | 23.820 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 265 | THR | 0 | -0.090 | -0.057 | 25.911 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 266 | LEU | 0 | -0.026 | 0.000 | 29.091 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 267 | GLY | 0 | -0.047 | -0.022 | 29.229 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 268 | ALA | 0 | -0.030 | -0.005 | 26.869 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 269 | LYS | 1 | 0.859 | 0.943 | 24.175 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 270 | GLN | 0 | -0.045 | -0.037 | 20.684 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 271 | SER | 0 | -0.001 | -0.029 | 17.444 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 272 | LYS | 1 | 0.835 | 0.903 | 14.377 | -0.575 | -0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 273 | ALA | 0 | -0.012 | 0.004 | 13.067 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 274 | GLN | 0 | 0.021 | 0.011 | 12.560 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 275 | GLN | 0 | 0.008 | 0.006 | 13.522 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 276 | PRO | 0 | -0.068 | -0.037 | 8.269 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 277 | ALA | 0 | 0.005 | 0.017 | 9.482 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 278 | GLY | 0 | -0.048 | -0.024 | 11.438 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 279 | GLU | -1 | -0.917 | -0.964 | 13.609 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 280 | ASN | 0 | -0.086 | -0.033 | 11.004 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 281 | PHE | 0 | 0.056 | 0.026 | 14.127 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 282 | ALA | 0 | 0.024 | 0.013 | 13.351 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 283 | ALA | 0 | -0.004 | 0.020 | 9.816 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 284 | PHE | 0 | -0.011 | -0.016 | 7.204 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 285 | TYR | 0 | -0.065 | -0.056 | 7.319 | 0.843 | 0.843 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 286 | SER | 0 | -0.011 | -0.043 | 7.006 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 287 | TYR | 0 | 0.050 | 0.005 | 8.707 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 288 | GLU | -1 | -0.921 | -0.944 | 9.410 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 289 | GLU | -1 | -0.862 | -0.904 | 5.489 | 2.028 | 2.028 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 290 | ILE | 0 | 0.034 | 0.024 | 10.235 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 291 | ASP | -1 | -0.893 | -0.950 | 13.664 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 292 | GLU | -1 | -0.956 | -0.958 | 10.428 | 0.828 | 0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 293 | LEU | 0 | -0.032 | -0.017 | 13.732 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 294 | SER | 0 | -0.058 | -0.042 | 16.854 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 295 | ASP | -1 | -0.860 | -0.905 | 18.664 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 296 | ALA | 0 | 0.005 | 0.006 | 20.354 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 297 | ASP | -1 | -0.853 | -0.915 | 22.044 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 298 | VAL | 0 | -0.021 | -0.014 | 25.010 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 299 | ILE | 0 | -0.066 | -0.036 | 20.098 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 300 | PHE | 0 | 0.035 | 0.018 | 23.133 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 301 | TYR | 0 | -0.011 | -0.013 | 21.970 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 302 | GLU | -1 | -0.830 | -0.892 | 21.152 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 303 | THR | 0 | -0.043 | -0.022 | 23.574 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 304 | ASP | -1 | -0.810 | -0.897 | 26.475 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 305 | ALA | 0 | 0.031 | 0.010 | 28.887 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 306 | GLN | 0 | -0.079 | -0.055 | 32.219 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 307 | GLU | -1 | -0.964 | -0.977 | 30.577 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 308 | ASN | 0 | -0.077 | -0.042 | 29.778 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 309 | PRO | 0 | 0.018 | 0.017 | 24.559 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 310 | ASP | -1 | -0.791 | -0.874 | 21.472 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 311 | PRO | 0 | 0.049 | 0.008 | 23.055 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 312 | PHE | 0 | -0.051 | -0.021 | 17.870 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 313 | THR | 0 | -0.010 | -0.021 | 18.949 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 314 | GLU | -1 | -0.923 | -0.964 | 20.751 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 315 | ALA | 0 | -0.004 | -0.003 | 19.331 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 316 | LEU | 0 | -0.042 | -0.017 | 15.580 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 317 | LEU | 0 | -0.023 | -0.006 | 18.610 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 318 | GLU | -1 | -0.963 | -0.973 | 21.744 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 319 | GLN | 0 | -0.089 | -0.028 | 16.169 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 320 | LYS | 1 | 0.919 | 0.933 | 19.645 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 321 | LEU | 0 | 0.010 | -0.015 | 14.649 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 322 | TRP | 0 | 0.108 | 0.060 | 17.261 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 323 | GLN | 0 | -0.061 | -0.039 | 19.740 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 324 | SER | 0 | -0.057 | -0.026 | 20.578 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 325 | LEU | 0 | -0.010 | 0.019 | 17.579 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 326 | PRO | 0 | 0.055 | 0.027 | 21.596 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 327 | ALA | 0 | 0.059 | 0.036 | 23.219 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 328 | VAL | 0 | -0.061 | -0.020 | 22.454 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 329 | GLU | -1 | -0.995 | -1.000 | 25.302 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 330 | ALA | 0 | -0.076 | -0.032 | 27.570 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 331 | GLY | 0 | -0.061 | -0.030 | 28.926 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 332 | GLN | 0 | -0.013 | 0.012 | 27.850 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 333 | VAL | 0 | -0.009 | -0.010 | 24.116 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 334 | HIS | 0 | -0.020 | -0.015 | 26.497 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 335 | PRO | 0 | 0.024 | 0.015 | 26.650 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 336 | LEU | 0 | -0.015 | -0.009 | 25.136 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 337 | ARG | 1 | 0.919 | 0.973 | 26.869 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 338 | TYR | 0 | -0.009 | -0.032 | 28.849 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 339 | SER | 0 | 0.030 | -0.017 | 22.764 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 340 | ALA | 0 | -0.018 | -0.015 | 24.475 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 341 | ALA | 0 | -0.013 | -0.011 | 25.490 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 342 | ARG | 1 | 0.857 | 0.920 | 26.073 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 343 | THR | 0 | 0.001 | -0.015 | 29.843 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 344 | TYR | 0 | 0.034 | -0.017 | 32.900 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 345 | ALA | 0 | 0.045 | 0.038 | 35.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 346 | GLN | 0 | -0.032 | -0.008 | 30.614 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 347 | ALA | 0 | 0.032 | 0.000 | 31.023 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 348 | ASN | 0 | -0.019 | -0.041 | 32.028 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 349 | ILE | 0 | -0.006 | 0.015 | 33.217 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 350 | VAL | 0 | -0.032 | -0.005 | 28.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 351 | LEU | 0 | 0.006 | 0.006 | 31.227 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 352 | ASP | -1 | -0.865 | -0.931 | 33.237 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 353 | GLN | 0 | -0.042 | -0.022 | 30.757 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 354 | ILE | 0 | 0.027 | 0.011 | 28.359 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 355 | GLU | -1 | -0.793 | -0.875 | 31.726 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 356 | GLU | -1 | -0.906 | -0.950 | 35.145 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 357 | VAL | 0 | -0.010 | -0.004 | 29.944 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 358 | LEU | 0 | 0.005 | 0.013 | 31.790 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 359 | LYS | 1 | 0.811 | 0.920 | 34.375 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 360 | GLY | 0 | -0.067 | -0.013 | 36.175 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 361 | LEU | 0 | -0.130 | -0.073 | 32.475 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |