FMODB ID: YYRM2
Calculation Name: 3IKO-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3IKO
Chain ID: B
UniProt ID: P49687
Base Structure: X-ray
Registration Date: 2023-03-14
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 | 434 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7294725.93663 |
---|---|
FMO2-HF: Nuclear repulsion | 7120049.041374 |
FMO2-HF: Total energy | -174676.895255 |
FMO2-MP2: Total energy | -175190.087223 |
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(B:119:HIS)
Summations of interaction energy for
fragment #1(B:119: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. |
-1.149 | 0.349 | 0.01 | -0.625 | -0.883 | 0.002 |
Interaction energy analysis for fragmet #1(B:119: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 | 121 | SER | 0 | 0.015 | 0.008 | 3.574 | -1.628 | -0.130 | 0.010 | -0.625 | -0.883 | 0.002 |
4 | B | 122 | GLN | 0 | -0.036 | -0.024 | 5.819 | 0.648 | 0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 123 | ASP | -1 | -0.872 | -0.952 | 9.030 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 124 | PRO | 0 | -0.032 | -0.018 | 12.294 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 125 | PHE | 0 | 0.010 | 0.005 | 15.794 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 126 | SER | 0 | -0.013 | 0.016 | 15.062 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 127 | GLU | -1 | -0.933 | -0.970 | 17.182 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 128 | CYS | 0 | -0.007 | -0.014 | 20.427 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 129 | ASN | 0 | -0.044 | -0.033 | 15.908 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 130 | ASP | -1 | -0.861 | -0.916 | 18.837 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 131 | GLU | -1 | -0.947 | -0.980 | 20.957 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 132 | ILE | 0 | -0.023 | -0.017 | 21.311 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 133 | ASP | -1 | -0.809 | -0.909 | 18.471 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 134 | ASN | 0 | -0.010 | 0.004 | 22.028 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 135 | ALA | 0 | -0.013 | -0.008 | 24.761 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 136 | LYS | 1 | 0.793 | 0.883 | 20.989 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 137 | LEU | 0 | -0.031 | 0.002 | 24.490 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 138 | ILE | 0 | 0.040 | 0.019 | 26.505 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 139 | MET | 0 | -0.002 | -0.020 | 29.761 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 140 | LYS | 1 | 0.987 | 1.007 | 25.827 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 141 | GLU | -1 | -0.881 | -0.909 | 30.092 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 142 | ARG | 1 | 0.850 | 0.913 | 31.713 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 143 | ARG | 1 | 0.874 | 0.938 | 33.665 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 144 | PHE | 0 | -0.006 | -0.012 | 34.617 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 145 | THR | 0 | 0.030 | 0.020 | 33.803 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 146 | ALA | 0 | -0.003 | -0.009 | 32.463 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 147 | SER | 0 | -0.035 | -0.002 | 34.569 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 148 | TYR | 0 | 0.024 | 0.010 | 38.123 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 149 | THR | 0 | 0.040 | 0.004 | 39.911 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 150 | PHE | 0 | -0.012 | 0.008 | 43.172 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 151 | ALA | 0 | 0.047 | 0.000 | 45.999 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 152 | LYS | 1 | 0.929 | 0.972 | 49.385 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 153 | PHE | 0 | 0.049 | 0.015 | 52.773 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 154 | SER | 0 | -0.043 | -0.017 | 56.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 155 | THR | 0 | 0.036 | 0.019 | 57.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 156 | GLY | 0 | 0.030 | 0.032 | 60.642 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 157 | SER | 0 | -0.068 | -0.053 | 60.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 158 | MET | 0 | 0.010 | 0.029 | 57.467 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 159 | LEU | 0 | 0.026 | 0.016 | 52.454 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 160 | LEU | 0 | 0.022 | 0.026 | 51.144 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 161 | THR | 0 | -0.024 | -0.024 | 47.069 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 162 | LYS | 1 | 0.876 | 0.937 | 38.690 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 163 | ASP | -1 | -0.846 | -0.929 | 44.908 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 164 | ILE | 0 | -0.059 | -0.040 | 39.247 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 165 | VAL | 0 | 0.035 | 0.016 | 42.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 166 | GLY | 0 | 0.008 | 0.032 | 44.870 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 167 | LYS | 1 | 0.963 | 0.968 | 46.038 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 168 | SER | 0 | -0.025 | -0.029 | 46.171 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 169 | GLY | 0 | 0.047 | 0.039 | 43.994 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 170 | VAL | 0 | -0.041 | -0.010 | 44.725 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 171 | SER | 0 | -0.032 | -0.016 | 48.022 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 172 | ILE | 0 | 0.022 | 0.006 | 50.990 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 173 | LYS | 1 | 0.902 | 0.949 | 50.525 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 174 | ARG | 1 | 0.952 | 0.950 | 55.873 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 175 | LEU | 0 | -0.019 | -0.007 | 59.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 176 | PRO | 0 | 0.001 | 0.004 | 59.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 177 | THR | 0 | 0.024 | 0.009 | 61.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 178 | GLU | -1 | -0.871 | -0.914 | 65.506 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 179 | LEU | 0 | -0.048 | -0.024 | 67.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 180 | GLN | 0 | -0.037 | -0.013 | 66.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 181 | ARG | 1 | 0.758 | 0.816 | 71.586 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 182 | LYS | 1 | 0.908 | 0.947 | 74.672 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 183 | PHE | 0 | 0.053 | 0.021 | 75.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 184 | LEU | 0 | -0.001 | 0.011 | 75.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 185 | PHE | 0 | -0.093 | -0.036 | 69.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 186 | ASP | -1 | -0.868 | -0.930 | 74.421 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 187 | ASP | -1 | -0.897 | -0.953 | 76.601 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 188 | VAL | 0 | -0.048 | -0.031 | 79.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 189 | TYR | 0 | -0.100 | -0.068 | 80.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 190 | LEU | 0 | 0.014 | -0.004 | 78.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 191 | ASP | -1 | -0.852 | -0.933 | 81.685 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 192 | LYS | 1 | 0.968 | 0.990 | 84.336 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 193 | GLU | -1 | -0.865 | -0.915 | 81.782 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 194 | ILE | 0 | -0.011 | -0.034 | 82.386 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 195 | GLU | -1 | -0.961 | -0.972 | 86.219 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 196 | LYS | 1 | 0.773 | 0.897 | 88.596 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 197 | VAL | 0 | -0.041 | -0.013 | 85.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 198 | THR | 0 | 0.009 | 0.015 | 89.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 199 | ILE | 0 | -0.033 | -0.025 | 85.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 200 | GLU | -1 | -0.769 | -0.858 | 88.460 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 201 | ALA | 0 | -0.045 | -0.027 | 86.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 202 | ARG | 1 | 0.824 | 0.911 | 83.839 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 203 | LYS | 1 | 0.811 | 0.892 | 86.646 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 204 | SER | 0 | -0.042 | -0.048 | 84.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 205 | ASN | 0 | 0.022 | -0.004 | 81.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 206 | PRO | 0 | -0.022 | -0.006 | 82.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 207 | TYR | 0 | 0.035 | 0.018 | 76.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 208 | PRO | 0 | -0.015 | -0.009 | 81.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 209 | GLN | 0 | 0.031 | -0.014 | 82.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 210 | ILE | 0 | -0.071 | -0.008 | 83.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 211 | SER | 0 | -0.020 | -0.007 | 86.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 212 | GLU | -1 | -0.913 | -0.954 | 90.436 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 213 | SER | 0 | 0.003 | -0.002 | 88.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 214 | SER | 0 | 0.012 | 0.004 | 90.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 215 | LEU | 0 | -0.021 | -0.003 | 86.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 216 | LEU | 0 | -0.012 | -0.003 | 89.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 217 | PHE | 0 | 0.015 | 0.015 | 85.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 218 | LYS | 1 | 0.914 | 0.945 | 88.163 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 219 | ASP | -1 | -0.776 | -0.877 | 88.305 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 220 | ALA | 0 | 0.009 | 0.001 | 83.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 221 | LEU | 0 | -0.056 | -0.026 | 85.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 222 | ASP | -1 | -0.934 | -0.967 | 87.032 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 223 | TYR | 0 | -0.056 | -0.023 | 82.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 224 | MET | 0 | -0.004 | 0.012 | 81.396 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 225 | GLU | -1 | -0.890 | -0.934 | 79.937 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 226 | LYS | 1 | 0.932 | 0.955 | 84.132 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 227 | THR | 0 | 0.033 | 0.007 | 83.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 228 | SER | 0 | -0.010 | 0.010 | 80.523 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 229 | SER | 0 | 0.066 | 0.016 | 79.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 230 | ASP | -1 | -0.776 | -0.869 | 79.572 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 231 | TYR | 0 | 0.070 | 0.036 | 81.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 232 | ASN | 0 | -0.049 | -0.031 | 84.919 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 233 | LEU | 0 | 0.034 | 0.039 | 80.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 234 | TRP | 0 | 0.021 | 0.015 | 80.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 235 | LYS | 1 | 0.931 | 0.967 | 86.139 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 236 | LEU | 0 | -0.011 | 0.008 | 88.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 237 | SER | 0 | 0.029 | -0.014 | 86.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 238 | SER | 0 | -0.118 | -0.068 | 89.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 239 | ILE | 0 | -0.048 | -0.036 | 91.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 240 | LEU | 0 | -0.025 | 0.000 | 90.903 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 241 | PHE | 0 | -0.001 | 0.002 | 88.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 242 | ASP | -1 | -0.713 | -0.817 | 91.733 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 243 | PRO | 0 | -0.005 | 0.017 | 94.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 244 | VAL | 0 | -0.001 | -0.004 | 97.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 245 | SER | 0 | -0.019 | -0.011 | 100.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 246 | TYR | 0 | 0.018 | -0.013 | 103.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 247 | PRO | 0 | -0.020 | -0.005 | 106.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 248 | TYR | 0 | -0.004 | 0.005 | 109.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 249 | LYS | 1 | 0.966 | 0.970 | 112.096 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 250 | THR | 0 | 0.002 | -0.004 | 112.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 251 | ASP | -1 | -0.899 | -0.931 | 114.953 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 252 | ASN | 0 | 0.006 | -0.008 | 115.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 253 | ASP | -1 | -0.788 | -0.903 | 109.468 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 254 | GLN | 0 | 0.015 | 0.004 | 110.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 255 | VAL | 0 | 0.018 | 0.005 | 110.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 256 | LYS | 1 | 0.893 | 0.956 | 107.169 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 257 | MET | 0 | -0.009 | -0.002 | 105.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 258 | ALA | 0 | 0.021 | 0.008 | 106.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 259 | LEU | 0 | -0.015 | -0.012 | 108.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 260 | LEU | 0 | -0.034 | -0.018 | 103.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 261 | LYS | 1 | 0.851 | 0.933 | 103.214 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 262 | LYS | 1 | 0.858 | 0.919 | 103.584 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 263 | GLU | -1 | -0.779 | -0.859 | 102.670 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 264 | ARG | 1 | 0.857 | 0.903 | 96.373 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 265 | HIS | 0 | -0.051 | -0.031 | 99.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 266 | CYS | 0 | 0.034 | 0.007 | 100.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 267 | ARG | 1 | 0.747 | 0.857 | 98.094 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 268 | LEU | 0 | 0.017 | -0.001 | 94.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 269 | THR | 0 | 0.015 | 0.012 | 96.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 270 | SER | 0 | -0.024 | -0.029 | 98.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 271 | TRP | 0 | -0.022 | -0.011 | 88.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 272 | ILE | 0 | 0.016 | 0.015 | 93.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 273 | VAL | 0 | 0.023 | 0.004 | 94.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 274 | SER | 0 | -0.080 | -0.029 | 93.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 275 | GLN | 0 | -0.053 | -0.043 | 88.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 276 | ILE | 0 | -0.010 | -0.004 | 91.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 277 | GLY | 0 | 0.049 | 0.040 | 92.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 278 | PRO | 0 | 0.027 | 0.005 | 90.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 279 | GLU | -1 | -0.825 | -0.913 | 90.207 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 280 | ILE | 0 | -0.001 | -0.018 | 91.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 281 | GLU | -1 | -0.923 | -0.969 | 95.322 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 282 | GLU | -1 | -0.871 | -0.912 | 90.580 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 283 | LYS | 1 | 0.853 | 0.931 | 92.023 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 284 | ILE | 0 | -0.030 | -0.012 | 95.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 285 | ARG | 1 | 0.776 | 0.878 | 93.207 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 286 | ASN | 0 | -0.051 | -0.028 | 93.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 287 | SER | 0 | 0.005 | 0.035 | 97.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 288 | SER | 0 | -0.028 | -0.022 | 100.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 289 | ASN | 0 | -0.053 | -0.029 | 102.388 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 290 | GLU | -1 | -0.813 | -0.919 | 104.533 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 291 | ILE | 0 | 0.020 | -0.010 | 106.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 292 | GLU | -1 | -0.939 | -0.975 | 100.171 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 293 | GLN | 0 | 0.059 | 0.025 | 102.628 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 294 | ILE | 0 | -0.066 | -0.015 | 103.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 295 | PHE | 0 | -0.004 | -0.015 | 99.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 296 | LEU | 0 | 0.038 | 0.017 | 97.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 297 | TYR | 0 | 0.011 | 0.006 | 100.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 298 | LEU | 0 | -0.002 | 0.007 | 102.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 299 | LEU | 0 | -0.010 | -0.003 | 97.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 300 | LEU | 0 | -0.066 | -0.020 | 97.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 301 | ASN | 0 | -0.037 | -0.026 | 100.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 302 | ASP | -1 | -0.818 | -0.877 | 102.876 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 303 | VAL | 0 | 0.047 | 0.017 | 105.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 304 | VAL | 0 | 0.025 | 0.001 | 108.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 305 | ARG | 1 | 0.847 | 0.907 | 102.253 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 306 | ALA | 0 | 0.055 | 0.040 | 107.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 307 | SER | 0 | -0.035 | -0.009 | 108.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 308 | LYS | 1 | 0.957 | 0.980 | 111.360 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 309 | LEU | 0 | 0.103 | 0.065 | 107.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 310 | ALA | 0 | -0.022 | -0.009 | 111.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 311 | ILE | 0 | -0.112 | -0.057 | 112.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 312 | GLU | -1 | -0.954 | -0.991 | 112.239 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 313 | SER | 0 | -0.010 | 0.005 | 111.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 314 | LYS | 1 | 0.894 | 0.949 | 113.889 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 315 | ASN | 0 | -0.011 | -0.001 | 112.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 316 | GLY | 0 | 0.010 | -0.012 | 115.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 317 | HIS | 0 | 0.025 | -0.001 | 118.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 318 | LEU | 0 | 0.015 | 0.006 | 110.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 319 | SER | 0 | 0.027 | -0.004 | 114.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 320 | VAL | 0 | -0.007 | 0.009 | 115.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 321 | LEU | 0 | -0.002 | 0.008 | 114.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 322 | ILE | 0 | 0.026 | 0.025 | 109.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 323 | SER | 0 | -0.087 | -0.043 | 111.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 324 | TYR | 0 | -0.006 | -0.016 | 113.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 325 | LEU | 0 | -0.020 | -0.013 | 107.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 326 | GLY | 0 | 0.071 | 0.037 | 108.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 327 | SER | 0 | -0.069 | -0.024 | 109.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 328 | ASN | 0 | -0.040 | -0.011 | 109.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 329 | ASP | -1 | -0.792 | -0.901 | 111.417 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 330 | PRO | 0 | 0.059 | 0.029 | 113.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 331 | ARG | 1 | 0.831 | 0.897 | 114.543 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 332 | ILE | 0 | -0.011 | -0.010 | 113.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 333 | ARG | 1 | 0.852 | 0.931 | 109.238 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 334 | ASP | -1 | -0.859 | -0.934 | 112.393 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 335 | LEU | 0 | -0.076 | -0.041 | 114.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 336 | ALA | 0 | -0.007 | 0.007 | 111.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 337 | GLU | -1 | -0.775 | -0.892 | 107.758 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 338 | LEU | 0 | -0.033 | -0.008 | 111.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 339 | GLN | 0 | -0.090 | -0.046 | 114.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 340 | LEU | 0 | 0.016 | 0.007 | 107.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 341 | GLN | 0 | 0.021 | 0.016 | 110.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 342 | LYS | 1 | 0.919 | 0.961 | 112.300 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 343 | TRP | 0 | -0.010 | -0.005 | 111.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 344 | SER | 0 | -0.012 | 0.011 | 108.364 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 345 | THR | 0 | -0.083 | -0.063 | 110.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 346 | GLY | 0 | 0.033 | 0.008 | 112.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 347 | GLY | 0 | -0.021 | -0.011 | 113.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 348 | CYS | 0 | -0.031 | -0.008 | 112.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 349 | SER | 0 | -0.034 | -0.019 | 110.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 350 | ILE | 0 | -0.021 | 0.008 | 109.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 351 | ASP | -1 | -0.779 | -0.897 | 108.012 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 352 | LYS | 1 | 0.991 | 0.979 | 101.075 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 353 | ASN | 0 | 0.045 | 0.024 | 103.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 354 | ILE | 0 | 0.015 | 0.017 | 105.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 355 | SER | 0 | -0.003 | -0.005 | 106.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 356 | LYS | 1 | 0.905 | 0.966 | 100.154 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 357 | ILE | 0 | 0.007 | 0.000 | 104.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 358 | TYR | 0 | 0.007 | -0.004 | 107.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 359 | LYS | 1 | 0.828 | 0.908 | 103.839 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 360 | LEU | 0 | -0.033 | 0.012 | 102.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 361 | LEU | 0 | -0.022 | -0.015 | 105.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 362 | SER | 0 | -0.082 | -0.046 | 106.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 363 | GLY | 0 | 0.015 | 0.008 | 106.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 364 | SER | 0 | 0.005 | -0.006 | 103.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 365 | PRO | 0 | -0.018 | -0.013 | 100.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 366 | PHE | 0 | 0.039 | 0.015 | 97.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 367 | GLU | -1 | -0.780 | -0.852 | 99.431 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 368 | GLY | 0 | 0.002 | -0.010 | 100.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 369 | LEU | 0 | -0.049 | -0.014 | 101.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 370 | PHE | 0 | 0.044 | -0.010 | 103.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 371 | SER | 0 | -0.091 | -0.050 | 99.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 372 | LEU | 0 | 0.046 | 0.039 | 99.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 373 | LYS | 1 | 0.845 | 0.912 | 90.754 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 374 | GLU | -1 | -0.908 | -0.947 | 94.016 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 375 | LEU | 0 | -0.049 | -0.026 | 93.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 376 | GLU | -1 | -0.824 | -0.919 | 89.269 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 377 | SER | 0 | -0.055 | -0.020 | 88.645 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 378 | GLU | -1 | -0.959 | -0.966 | 89.637 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 379 | PHE | 0 | -0.027 | -0.036 | 91.432 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 380 | SER | 0 | 0.016 | 0.023 | 88.494 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 381 | TRP | 0 | -0.014 | -0.017 | 84.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 382 | LEU | 0 | -0.018 | -0.009 | 89.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 383 | CYS | 0 | -0.018 | -0.002 | 91.129 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 384 | LEU | 0 | 0.021 | 0.007 | 92.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 385 | LEU | 0 | -0.006 | 0.007 | 92.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 386 | ASN | 0 | 0.047 | 0.016 | 94.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 387 | LEU | 0 | 0.030 | 0.030 | 97.253 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 388 | THR | 0 | -0.008 | -0.027 | 97.682 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 389 | LEU | 0 | -0.025 | -0.023 | 95.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 390 | CYS | 0 | -0.082 | -0.022 | 100.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 391 | TYR | 0 | -0.038 | -0.053 | 102.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 392 | GLY | 0 | 0.006 | 0.002 | 102.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 393 | GLN | 0 | -0.023 | 0.027 | 103.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 394 | ILE | 0 | 0.001 | -0.014 | 104.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 395 | ASP | -1 | -0.877 | -0.921 | 105.766 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 396 | GLU | -1 | -0.779 | -0.871 | 107.781 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 397 | TYR | 0 | 0.023 | 0.043 | 102.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 398 | SER | 0 | -0.008 | 0.011 | 100.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 399 | LEU | 0 | 0.055 | 0.001 | 98.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 400 | GLU | -1 | -0.812 | -0.878 | 95.421 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 401 | SER | 0 | 0.035 | -0.002 | 96.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 402 | LEU | 0 | 0.000 | 0.018 | 98.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 403 | VAL | 0 | 0.014 | -0.004 | 93.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 404 | GLN | 0 | -0.013 | -0.007 | 90.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 405 | SER | 0 | 0.017 | 0.005 | 94.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 406 | HIS | 0 | 0.009 | 0.026 | 92.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 407 | LEU | 0 | 0.015 | -0.012 | 89.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 408 | ASP | -1 | -0.937 | -0.956 | 90.892 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 409 | LYS | 1 | 0.720 | 0.855 | 92.721 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 410 | PHE | 0 | -0.049 | -0.033 | 89.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 411 | SER | 0 | -0.017 | 0.009 | 84.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 412 | LEU | 0 | 0.012 | 0.003 | 84.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 413 | PRO | 0 | 0.001 | -0.010 | 80.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 414 | TYR | 0 | 0.061 | 0.028 | 77.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 415 | ASP | -1 | -0.900 | -0.962 | 74.493 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 416 | ASP | -1 | -0.824 | -0.909 | 77.637 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 417 | PRO | 0 | 0.026 | 0.009 | 79.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 418 | ILE | 0 | -0.026 | -0.021 | 81.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 419 | GLY | 0 | 0.049 | 0.019 | 84.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 420 | VAL | 0 | 0.019 | -0.001 | 80.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 421 | ILE | 0 | -0.036 | -0.011 | 83.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 422 | PHE | 0 | 0.041 | 0.023 | 86.491 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 423 | GLN | 0 | 0.026 | 0.015 | 84.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 424 | LEU | 0 | -0.010 | 0.001 | 83.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 425 | TYR | 0 | -0.100 | -0.073 | 87.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 426 | ALA | 0 | 0.045 | 0.012 | 91.090 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 427 | ALA | 0 | -0.033 | -0.009 | 88.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 428 | ASN | 0 | -0.077 | -0.066 | 90.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 429 | GLU | -1 | -0.883 | -0.922 | 92.551 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 430 | ASN | 0 | -0.067 | -0.037 | 88.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 431 | THR | 0 | 0.044 | 0.034 | 86.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 432 | GLU | -1 | -0.706 | -0.790 | 83.153 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 433 | LYS | 1 | 0.880 | 0.948 | 83.283 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 434 | LEU | 0 | 0.039 | 0.029 | 82.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 435 | TYR | 0 | 0.040 | 0.016 | 78.157 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 436 | LYS | 1 | 0.869 | 0.911 | 78.833 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 437 | GLU | -1 | -0.842 | -0.913 | 77.948 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 438 | VAL | 0 | -0.028 | -0.024 | 78.169 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 439 | ARG | 1 | 0.920 | 0.945 | 73.621 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 440 | GLN | 0 | -0.078 | -0.024 | 73.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 441 | ARG | 1 | 0.806 | 0.897 | 74.254 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 442 | THR | 0 | -0.043 | 0.010 | 74.285 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 443 | ASN | 0 | 0.010 | -0.013 | 70.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 444 | ALA | 0 | 0.003 | 0.013 | 73.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 445 | LEU | 0 | -0.023 | 0.000 | 76.716 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 446 | ASP | -1 | -0.720 | -0.839 | 74.343 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 447 | VAL | 0 | 0.040 | 0.002 | 71.240 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 448 | GLN | 0 | 0.059 | 0.054 | 74.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 449 | PHE | 0 | 0.010 | -0.005 | 77.002 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 450 | CYS | 0 | -0.051 | -0.019 | 77.552 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 451 | TRP | 0 | 0.011 | 0.018 | 78.010 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 452 | TYR | 0 | 0.015 | -0.022 | 79.929 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 453 | LEU | 0 | -0.026 | -0.016 | 82.692 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 454 | ILE | 0 | -0.032 | -0.016 | 80.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 455 | GLN | 0 | 0.007 | -0.003 | 81.924 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 456 | THR | 0 | -0.026 | -0.009 | 85.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 457 | LEU | 0 | -0.027 | -0.034 | 87.234 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 458 | ARG | 1 | 0.871 | 0.956 | 83.463 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 459 | PHE | 0 | -0.065 | -0.041 | 86.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 460 | ASN | 0 | -0.015 | -0.010 | 91.105 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 461 | GLY | 0 | -0.042 | 0.007 | 93.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 462 | THR | 0 | -0.026 | -0.025 | 92.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 463 | ARG | 1 | 0.821 | 0.902 | 89.692 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 464 | VAL | 0 | -0.002 | 0.012 | 89.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 465 | PHE | 0 | 0.008 | -0.011 | 83.790 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 466 | SER | 0 | -0.055 | -0.045 | 82.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 467 | LYS | 1 | 0.910 | 0.957 | 83.097 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 468 | GLU | -1 | -0.808 | -0.928 | 78.518 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 469 | THR | 0 | -0.022 | -0.041 | 78.525 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 470 | SER | 0 | 0.021 | 0.003 | 79.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 471 | ASP | -1 | -0.780 | -0.847 | 77.630 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 472 | GLU | -1 | -0.996 | -0.980 | 73.953 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 473 | ALA | 0 | 0.002 | -0.009 | 74.720 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 474 | THR | 0 | -0.021 | -0.025 | 76.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 475 | PHE | 0 | 0.002 | -0.002 | 72.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 476 | ALA | 0 | 0.026 | 0.017 | 71.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 477 | PHE | 0 | 0.031 | 0.002 | 71.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 478 | ALA | 0 | 0.026 | 0.002 | 72.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 479 | ALA | 0 | 0.004 | 0.017 | 68.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 480 | GLN | 0 | -0.033 | -0.037 | 66.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 481 | LEU | 0 | -0.029 | -0.002 | 69.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 482 | GLU | -1 | -0.726 | -0.836 | 66.322 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 483 | PHE | 0 | -0.025 | -0.026 | 64.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 484 | ALA | 0 | -0.029 | 0.000 | 65.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 485 | GLN | 0 | -0.033 | -0.019 | 63.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 486 | LEU | 0 | 0.019 | 0.037 | 67.799 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 487 | HIS | 0 | 0.032 | -0.009 | 66.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 488 | GLY | 0 | 0.068 | 0.027 | 72.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 489 | HIS | 1 | 0.903 | 0.945 | 75.325 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 490 | SER | 0 | -0.047 | -0.032 | 71.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 491 | LEU | 0 | 0.002 | 0.015 | 74.390 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 492 | PHE | 0 | 0.020 | -0.005 | 76.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 493 | VAL | 0 | -0.005 | -0.001 | 76.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 494 | SER | 0 | -0.007 | -0.017 | 75.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 495 | CYS | 0 | -0.049 | -0.014 | 77.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 496 | PHE | 0 | -0.030 | -0.010 | 80.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 497 | LEU | 0 | 0.000 | 0.021 | 75.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 498 | ASN | 0 | -0.056 | -0.068 | 80.410 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 499 | ASP | -1 | -0.836 | -0.923 | 77.200 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 500 | ASP | -1 | -0.772 | -0.866 | 79.308 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 501 | LYS | 1 | 0.821 | 0.906 | 75.674 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 502 | ALA | 0 | 0.043 | 0.019 | 74.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 503 | ALA | 0 | 0.024 | 0.034 | 75.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 504 | GLU | -1 | -0.833 | -0.899 | 75.900 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 505 | ASP | -1 | -0.893 | -0.941 | 70.315 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 506 | THR | 0 | -0.015 | -0.039 | 71.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 507 | ILE | 0 | 0.009 | 0.004 | 72.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 508 | LYS | 1 | 0.822 | 0.866 | 71.941 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 509 | ARG | 1 | 0.822 | 0.924 | 66.690 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 510 | LEU | 0 | -0.038 | -0.016 | 68.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 511 | VAL | 0 | 0.038 | 0.013 | 70.362 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 512 | MET | 0 | -0.009 | -0.027 | 68.978 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 513 | ARG | 1 | 0.665 | 0.832 | 64.118 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 514 | GLU | -1 | -0.791 | -0.896 | 66.176 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 515 | ILE | 0 | -0.051 | -0.016 | 68.950 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 516 | THR | 0 | -0.068 | -0.027 | 68.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 517 | LEU | 0 | 0.057 | 0.011 | 67.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 518 | LEU | 0 | -0.022 | 0.016 | 71.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 519 | ARG | 1 | 0.868 | 0.928 | 74.596 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 520 | ALA | 0 | -0.010 | 0.017 | 74.664 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 521 | SER | 0 | 0.029 | 0.022 | 76.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 522 | THR | 0 | -0.008 | -0.032 | 79.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 523 | ASN | 0 | 0.047 | 0.056 | 78.408 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 524 | ASP | -1 | -0.780 | -0.905 | 76.925 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 525 | HIS | 0 | -0.031 | -0.013 | 79.360 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 526 | ILE | 0 | -0.004 | -0.031 | 82.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 527 | LEU | 0 | 0.076 | 0.048 | 77.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 528 | ASN | 0 | -0.057 | -0.022 | 77.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 529 | ARG | 1 | 0.837 | 0.911 | 80.693 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 530 | LEU | 0 | -0.020 | 0.007 | 81.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 531 | LYS | 1 | 0.872 | 0.917 | 83.084 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 532 | ILE | 0 | -0.005 | 0.027 | 77.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 533 | PRO | 0 | 0.017 | 0.011 | 79.786 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 534 | SER | 0 | 0.045 | 0.007 | 80.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 535 | GLN | 0 | -0.006 | -0.005 | 78.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 536 | LEU | 0 | -0.011 | 0.006 | 74.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 537 | ILE | 0 | 0.037 | 0.038 | 75.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 538 | PHE | 0 | 0.015 | -0.003 | 76.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 539 | ASN | 0 | -0.020 | -0.008 | 74.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 540 | ALA | 0 | 0.016 | 0.023 | 71.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 541 | GLN | 0 | 0.027 | -0.004 | 71.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 542 | ALA | 0 | 0.016 | 0.021 | 72.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 543 | LEU | 0 | -0.054 | -0.021 | 65.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 544 | LYS | 1 | 0.842 | 0.933 | 65.901 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 545 | ASP | -1 | -0.827 | -0.927 | 67.879 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 546 | ARG | 1 | 0.835 | 0.923 | 65.624 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 547 | TYR | 0 | -0.064 | -0.039 | 60.715 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 548 | GLU | -1 | -0.795 | -0.896 | 62.910 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 549 | GLY | 0 | -0.052 | -0.012 | 65.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 550 | ASN | 0 | -0.035 | -0.024 | 66.122 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 551 | TYR | 0 | 0.018 | 0.011 | 69.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 552 | LEU | 0 | -0.027 | -0.002 | 72.087 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |