FMODB ID: VRY61
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 | OptAll |
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 | -7300025.309229 |
---|---|
FMO2-HF: Nuclear repulsion | 7125345.177319 |
FMO2-HF: Total energy | -174680.13191 |
FMO2-MP2: Total energy | -175192.815324 |
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. |
-0.574 | 0.66 | -0.009 | -0.477 | -0.749 | 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 | 0.011 | 0.015 | 3.866 | -1.092 | 0.142 | -0.009 | -0.477 | -0.749 | 0.002 |
4 | B | 122 | GLN | 0 | -0.050 | -0.033 | 5.840 | 0.610 | 0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 123 | ASP | -1 | -0.863 | -0.933 | 8.998 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 124 | PRO | 0 | -0.029 | -0.020 | 12.296 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 125 | PHE | 0 | -0.005 | -0.018 | 15.815 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 126 | SER | 0 | -0.001 | -0.003 | 15.379 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 127 | GLU | -1 | -0.910 | -0.934 | 17.348 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 128 | CYS | 0 | 0.018 | 0.002 | 21.132 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 129 | ASN | 0 | -0.065 | -0.033 | 15.982 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 130 | ASP | -1 | -0.867 | -0.924 | 18.630 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 131 | GLU | -1 | -0.934 | -0.975 | 20.952 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 132 | ILE | 0 | -0.030 | -0.013 | 21.836 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 133 | ASP | -1 | -0.809 | -0.901 | 18.974 | 0.400 | 0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 134 | ASN | 0 | 0.001 | 0.002 | 22.331 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 135 | ALA | 0 | -0.001 | 0.000 | 25.089 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 136 | LYS | 1 | 0.801 | 0.880 | 20.836 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 137 | LEU | 0 | -0.029 | -0.004 | 24.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 138 | ILE | 0 | 0.035 | 0.017 | 26.678 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 139 | MET | 0 | -0.039 | -0.023 | 29.709 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 140 | LYS | 1 | 0.939 | 0.974 | 25.961 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 141 | GLU | -1 | -0.881 | -0.932 | 30.239 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 142 | ARG | 1 | 0.860 | 0.925 | 31.855 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 143 | ARG | 1 | 0.892 | 0.952 | 33.809 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 144 | PHE | 0 | 0.014 | 0.010 | 34.657 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 145 | THR | 0 | 0.010 | 0.014 | 33.819 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 146 | ALA | 0 | 0.041 | 0.005 | 32.671 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 147 | SER | 0 | -0.017 | -0.003 | 34.768 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 148 | TYR | 0 | 0.010 | 0.011 | 37.922 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 149 | THR | 0 | 0.008 | -0.006 | 39.833 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 150 | PHE | 0 | -0.011 | 0.009 | 42.872 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 151 | ALA | 0 | 0.050 | 0.002 | 45.922 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 152 | LYS | 1 | 0.928 | 0.965 | 49.584 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 153 | PHE | 0 | 0.060 | 0.031 | 52.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 154 | SER | 0 | -0.035 | -0.011 | 56.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 155 | THR | 0 | 0.043 | 0.007 | 57.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 156 | GLY | 0 | 0.009 | 0.011 | 60.486 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 157 | SER | 0 | -0.047 | -0.043 | 61.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 158 | MET | 0 | 0.035 | 0.055 | 57.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 159 | LEU | 0 | 0.000 | -0.002 | 52.892 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 160 | LEU | 0 | 0.007 | 0.022 | 51.387 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 161 | THR | 0 | -0.037 | -0.046 | 47.644 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 162 | LYS | 1 | 0.895 | 0.955 | 39.045 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 163 | ASP | -1 | -0.859 | -0.956 | 45.530 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 164 | ILE | 0 | -0.023 | -0.020 | 39.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 165 | VAL | 0 | 0.022 | 0.026 | 42.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 166 | GLY | 0 | 0.031 | 0.035 | 45.296 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 167 | LYS | 1 | 0.931 | 0.951 | 45.930 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 168 | SER | 0 | -0.011 | -0.020 | 46.227 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 169 | GLY | 0 | 0.042 | 0.036 | 43.787 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 170 | VAL | 0 | -0.033 | -0.005 | 44.533 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 171 | SER | 0 | -0.028 | -0.007 | 47.834 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 172 | ILE | 0 | 0.020 | 0.001 | 51.077 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 173 | LYS | 1 | 0.883 | 0.951 | 50.114 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 174 | ARG | 1 | 0.909 | 0.916 | 55.726 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 175 | LEU | 0 | 0.019 | 0.013 | 59.496 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 176 | PRO | 0 | -0.029 | -0.005 | 59.155 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 177 | THR | 0 | 0.017 | 0.011 | 62.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 178 | GLU | -1 | -0.851 | -0.910 | 65.611 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 179 | LEU | 0 | -0.054 | -0.019 | 67.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 180 | GLN | 0 | -0.052 | -0.033 | 66.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 181 | ARG | 1 | 0.751 | 0.814 | 71.736 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 182 | LYS | 1 | 0.837 | 0.891 | 75.010 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 183 | PHE | 0 | 0.045 | 0.018 | 75.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 184 | LEU | 0 | -0.004 | 0.006 | 75.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 185 | PHE | 0 | -0.078 | -0.034 | 69.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 186 | ASP | -1 | -0.853 | -0.920 | 74.649 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 187 | ASP | -1 | -0.847 | -0.937 | 76.973 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 188 | VAL | 0 | -0.041 | -0.023 | 79.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 189 | TYR | 0 | -0.085 | -0.061 | 80.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 190 | LEU | 0 | -0.010 | -0.009 | 78.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 191 | ASP | -1 | -0.846 | -0.950 | 81.709 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 192 | LYS | 1 | 0.914 | 0.970 | 84.432 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 193 | GLU | -1 | -0.817 | -0.896 | 81.615 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 194 | ILE | 0 | -0.034 | -0.018 | 81.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 195 | GLU | -1 | -0.928 | -0.975 | 86.117 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 196 | LYS | 1 | 0.763 | 0.896 | 88.490 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 197 | VAL | 0 | -0.026 | -0.002 | 86.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 198 | THR | 0 | -0.019 | 0.001 | 89.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 199 | ILE | 0 | -0.025 | -0.016 | 84.988 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 200 | GLU | -1 | -0.809 | -0.890 | 88.113 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 201 | ALA | 0 | -0.013 | -0.012 | 86.509 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 202 | ARG | 1 | 0.826 | 0.930 | 83.850 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 203 | LYS | 1 | 0.823 | 0.897 | 86.818 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 204 | SER | 0 | -0.048 | -0.061 | 84.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 205 | ASN | 0 | -0.008 | 0.000 | 81.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 206 | PRO | 0 | 0.018 | -0.002 | 82.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 207 | TYR | 0 | 0.016 | 0.008 | 76.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 208 | PRO | 0 | -0.021 | -0.004 | 80.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 209 | GLN | 0 | -0.016 | -0.051 | 82.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 210 | ILE | 0 | -0.038 | -0.004 | 83.811 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 211 | SER | 0 | -0.046 | -0.017 | 86.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 212 | GLU | -1 | -0.894 | -0.950 | 90.558 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 213 | SER | 0 | -0.020 | -0.019 | 88.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 214 | SER | 0 | -0.003 | -0.007 | 90.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 215 | LEU | 0 | -0.007 | 0.010 | 85.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 216 | LEU | 0 | -0.021 | 0.013 | 89.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 217 | PHE | 0 | 0.022 | 0.008 | 84.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 218 | LYS | 1 | 0.890 | 0.924 | 88.166 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 219 | ASP | -1 | -0.803 | -0.879 | 88.219 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 220 | ALA | 0 | 0.033 | 0.020 | 83.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 221 | LEU | 0 | -0.039 | -0.022 | 85.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 222 | ASP | -1 | -0.866 | -0.929 | 87.666 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 223 | TYR | 0 | -0.024 | -0.003 | 82.683 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 224 | MET | 0 | -0.015 | 0.011 | 81.729 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 225 | GLU | -1 | -0.817 | -0.891 | 79.894 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 226 | LYS | 1 | 0.885 | 0.931 | 83.958 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 227 | THR | 0 | 0.010 | 0.011 | 84.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 228 | SER | 0 | -0.034 | -0.014 | 80.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 229 | SER | 0 | 0.054 | 0.017 | 79.065 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 230 | ASP | -1 | -0.757 | -0.852 | 79.387 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 231 | TYR | 0 | 0.081 | 0.036 | 81.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 232 | ASN | 0 | -0.019 | -0.031 | 84.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 233 | LEU | 0 | 0.014 | 0.033 | 80.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 234 | TRP | 0 | 0.002 | 0.007 | 80.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 235 | LYS | 1 | 0.888 | 0.949 | 86.070 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 236 | LEU | 0 | 0.008 | 0.013 | 88.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 237 | SER | 0 | 0.015 | -0.014 | 86.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 238 | SER | 0 | -0.088 | -0.066 | 89.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 239 | ILE | 0 | -0.030 | -0.024 | 91.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 240 | LEU | 0 | -0.030 | -0.001 | 90.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 241 | PHE | 0 | -0.008 | -0.001 | 88.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 242 | ASP | -1 | -0.702 | -0.813 | 91.586 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 243 | PRO | 0 | 0.010 | 0.018 | 94.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 244 | VAL | 0 | -0.007 | -0.011 | 97.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 245 | SER | 0 | -0.021 | -0.006 | 100.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 246 | TYR | 0 | 0.049 | 0.005 | 103.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 247 | PRO | 0 | -0.017 | 0.000 | 106.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 248 | TYR | 0 | -0.016 | -0.008 | 109.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 249 | LYS | 1 | 0.971 | 0.971 | 112.426 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 250 | THR | 0 | 0.009 | 0.002 | 112.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 251 | ASP | -1 | -0.906 | -0.942 | 115.177 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 252 | ASN | 0 | -0.006 | -0.021 | 115.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 253 | ASP | -1 | -0.784 | -0.878 | 109.326 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 254 | GLN | 0 | 0.045 | 0.023 | 110.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 255 | VAL | 0 | 0.020 | 0.012 | 110.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 256 | LYS | 1 | 0.870 | 0.928 | 107.024 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 257 | MET | 0 | -0.023 | -0.011 | 105.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 258 | ALA | 0 | 0.010 | 0.010 | 106.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 259 | LEU | 0 | -0.023 | -0.013 | 108.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 260 | LEU | 0 | -0.007 | -0.011 | 103.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 261 | LYS | 1 | 0.810 | 0.921 | 103.502 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 262 | LYS | 1 | 0.870 | 0.913 | 103.683 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 263 | GLU | -1 | -0.808 | -0.865 | 102.688 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 264 | ARG | 1 | 0.828 | 0.890 | 96.176 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 265 | HIS | 0 | -0.032 | -0.023 | 99.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 266 | CYS | 0 | 0.046 | 0.024 | 100.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 267 | ARG | 1 | 0.764 | 0.855 | 98.241 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 268 | LEU | 0 | 0.026 | 0.018 | 94.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 269 | THR | 0 | 0.006 | 0.007 | 96.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 270 | SER | 0 | -0.014 | -0.021 | 98.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 271 | TRP | 0 | -0.015 | 0.002 | 88.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 272 | ILE | 0 | 0.019 | 0.001 | 93.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 273 | VAL | 0 | 0.017 | 0.005 | 94.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 274 | SER | 0 | -0.065 | -0.041 | 93.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 275 | GLN | 0 | -0.077 | -0.043 | 88.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 276 | ILE | 0 | -0.009 | -0.002 | 90.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 277 | GLY | 0 | 0.045 | 0.029 | 92.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 278 | PRO | 0 | -0.004 | -0.006 | 90.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 279 | GLU | -1 | -0.790 | -0.898 | 90.432 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 280 | ILE | 0 | 0.012 | -0.009 | 91.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 281 | GLU | -1 | -0.868 | -0.944 | 95.493 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 282 | GLU | -1 | -0.857 | -0.902 | 90.544 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 283 | LYS | 1 | 0.792 | 0.906 | 92.153 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 284 | ILE | 0 | 0.010 | 0.001 | 95.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 285 | ARG | 1 | 0.778 | 0.875 | 93.219 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 286 | ASN | 0 | -0.077 | -0.037 | 93.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 287 | SER | 0 | -0.011 | 0.011 | 97.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 288 | SER | 0 | -0.025 | -0.015 | 99.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 289 | ASN | 0 | -0.032 | -0.015 | 102.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 290 | GLU | -1 | -0.805 | -0.915 | 104.837 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 291 | ILE | 0 | 0.002 | -0.014 | 107.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 292 | GLU | -1 | -0.926 | -0.973 | 100.517 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 293 | GLN | 0 | 0.029 | 0.019 | 102.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 294 | ILE | 0 | -0.043 | -0.014 | 103.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 295 | PHE | 0 | 0.005 | -0.015 | 99.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 296 | LEU | 0 | 0.008 | 0.010 | 97.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 297 | TYR | 0 | 0.006 | -0.008 | 100.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 298 | LEU | 0 | -0.012 | 0.002 | 103.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 299 | LEU | 0 | 0.020 | 0.020 | 96.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 300 | LEU | 0 | -0.043 | -0.011 | 97.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 301 | ASN | 0 | 0.000 | -0.008 | 100.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 302 | ASP | -1 | -0.808 | -0.870 | 102.955 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 303 | VAL | 0 | 0.026 | 0.002 | 105.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 304 | VAL | 0 | -0.002 | 0.000 | 108.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 305 | ARG | 1 | 0.776 | 0.864 | 101.522 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 306 | ALA | 0 | 0.039 | 0.022 | 106.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 307 | SER | 0 | -0.047 | -0.025 | 108.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 308 | LYS | 1 | 0.908 | 0.955 | 110.954 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 309 | LEU | 0 | 0.140 | 0.079 | 107.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 310 | ALA | 0 | -0.023 | 0.011 | 110.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 311 | ILE | 0 | -0.082 | -0.040 | 112.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 312 | GLU | -1 | -0.941 | -0.979 | 112.078 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 313 | SER | 0 | -0.016 | -0.011 | 111.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 314 | LYS | 1 | 0.902 | 0.947 | 113.559 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 315 | ASN | 0 | -0.004 | 0.003 | 112.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 316 | GLY | 0 | 0.008 | -0.009 | 115.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 317 | HIS | 0 | 0.003 | -0.019 | 118.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 318 | LEU | 0 | 0.028 | 0.017 | 110.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 319 | SER | 0 | 0.083 | 0.035 | 114.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 320 | VAL | 0 | -0.056 | -0.015 | 115.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 321 | LEU | 0 | -0.010 | 0.011 | 114.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 322 | ILE | 0 | -0.001 | 0.001 | 109.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 323 | SER | 0 | -0.067 | -0.041 | 111.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 324 | TYR | 0 | 0.016 | 0.006 | 113.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 325 | LEU | 0 | -0.006 | 0.003 | 107.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 326 | GLY | 0 | 0.046 | 0.027 | 107.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 327 | SER | 0 | -0.073 | -0.036 | 108.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 328 | ASN | 0 | -0.022 | -0.011 | 109.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 329 | ASP | -1 | -0.798 | -0.887 | 111.367 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 330 | PRO | 0 | 0.040 | 0.014 | 113.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 331 | ARG | 1 | 0.838 | 0.896 | 114.823 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 332 | ILE | 0 | -0.011 | -0.009 | 113.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 333 | ARG | 1 | 0.855 | 0.931 | 109.319 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 334 | ASP | -1 | -0.868 | -0.942 | 112.273 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 335 | LEU | 0 | -0.061 | -0.043 | 114.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 336 | ALA | 0 | -0.008 | 0.012 | 111.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 337 | GLU | -1 | -0.759 | -0.892 | 107.304 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 338 | LEU | 0 | -0.023 | 0.003 | 111.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 339 | GLN | 0 | -0.059 | -0.034 | 114.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 340 | LEU | 0 | 0.001 | 0.006 | 107.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 341 | GLN | 0 | 0.027 | 0.015 | 110.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 342 | LYS | 1 | 0.904 | 0.962 | 111.991 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 343 | TRP | 0 | -0.019 | -0.007 | 111.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 344 | SER | 0 | 0.037 | 0.007 | 108.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 345 | THR | 0 | -0.079 | -0.044 | 109.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 346 | GLY | 0 | 0.004 | -0.005 | 112.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 347 | GLY | 0 | -0.036 | -0.012 | 113.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 348 | CYS | 0 | -0.026 | -0.008 | 111.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 349 | SER | 0 | -0.049 | -0.031 | 110.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 350 | ILE | 0 | -0.011 | 0.007 | 108.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 351 | ASP | -1 | -0.740 | -0.875 | 107.405 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 352 | LYS | 1 | 0.979 | 0.996 | 100.794 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 353 | ASN | 0 | 0.010 | 0.013 | 102.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 354 | ILE | 0 | 0.025 | 0.010 | 105.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 355 | SER | 0 | -0.037 | -0.032 | 106.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 356 | LYS | 1 | 0.912 | 0.971 | 99.961 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 357 | ILE | 0 | 0.012 | 0.008 | 104.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 358 | TYR | 0 | -0.001 | -0.011 | 107.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 359 | LYS | 1 | 0.813 | 0.907 | 103.572 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 360 | LEU | 0 | -0.051 | 0.000 | 102.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 361 | LEU | 0 | 0.000 | -0.008 | 105.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 362 | SER | 0 | -0.071 | -0.031 | 106.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 363 | GLY | 0 | -0.002 | 0.004 | 106.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 364 | SER | 0 | 0.015 | -0.013 | 103.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 365 | PRO | 0 | -0.020 | -0.002 | 100.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 366 | PHE | 0 | 0.045 | -0.002 | 96.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 367 | GLU | -1 | -0.823 | -0.869 | 98.919 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 368 | GLY | 0 | 0.044 | 0.020 | 100.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 369 | LEU | 0 | -0.033 | -0.022 | 102.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 370 | PHE | 0 | -0.001 | -0.019 | 103.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 371 | SER | 0 | -0.049 | -0.012 | 98.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 372 | LEU | 0 | 0.027 | 0.012 | 99.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 373 | LYS | 1 | 0.829 | 0.901 | 90.901 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 374 | GLU | -1 | -0.926 | -0.967 | 93.849 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 375 | LEU | 0 | -0.034 | -0.017 | 93.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 376 | GLU | -1 | -0.829 | -0.905 | 89.021 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 377 | SER | 0 | -0.057 | -0.019 | 88.211 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 378 | GLU | -1 | -0.902 | -0.943 | 89.289 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 379 | PHE | 0 | 0.014 | 0.000 | 91.200 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 380 | SER | 0 | 0.001 | 0.013 | 88.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 381 | TRP | 0 | 0.010 | -0.012 | 85.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 382 | LEU | 0 | -0.023 | -0.003 | 88.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 383 | CYS | 0 | -0.051 | -0.018 | 91.003 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 384 | LEU | 0 | 0.015 | 0.002 | 92.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 385 | LEU | 0 | -0.026 | -0.008 | 91.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 386 | ASN | 0 | 0.050 | 0.012 | 94.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 387 | LEU | 0 | -0.001 | 0.012 | 97.286 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 388 | THR | 0 | -0.004 | -0.026 | 97.531 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 389 | LEU | 0 | -0.004 | -0.005 | 95.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 390 | CYS | 0 | -0.060 | -0.008 | 100.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 391 | TYR | 0 | -0.020 | -0.050 | 102.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 392 | GLY | 0 | -0.021 | 0.011 | 102.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 393 | GLN | 0 | -0.013 | -0.013 | 103.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 394 | ILE | 0 | -0.015 | -0.004 | 103.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 395 | ASP | -1 | -0.878 | -0.923 | 105.570 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 396 | GLU | -1 | -0.763 | -0.871 | 107.925 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 397 | TYR | 0 | 0.022 | 0.037 | 102.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 398 | SER | 0 | -0.016 | -0.016 | 100.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 399 | LEU | 0 | 0.062 | 0.002 | 98.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 400 | GLU | -1 | -0.769 | -0.843 | 95.199 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 401 | SER | 0 | 0.009 | 0.007 | 96.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 402 | LEU | 0 | -0.015 | 0.014 | 98.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 403 | VAL | 0 | 0.002 | -0.006 | 92.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 404 | GLN | 0 | -0.072 | -0.041 | 91.191 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 405 | SER | 0 | 0.020 | 0.012 | 94.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 406 | HIS | 0 | 0.031 | 0.037 | 92.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 407 | LEU | 0 | 0.019 | -0.009 | 89.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 408 | ASP | -1 | -0.890 | -0.932 | 90.834 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 409 | LYS | 1 | 0.716 | 0.852 | 93.087 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 410 | PHE | 0 | -0.039 | -0.024 | 90.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 411 | SER | 0 | -0.006 | -0.004 | 84.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 412 | LEU | 0 | 0.003 | 0.015 | 85.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 413 | PRO | 0 | 0.005 | -0.002 | 80.442 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 414 | TYR | 0 | 0.052 | 0.018 | 77.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 415 | ASP | -1 | -0.902 | -0.947 | 74.626 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 416 | ASP | -1 | -0.819 | -0.897 | 77.719 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 417 | PRO | 0 | 0.008 | 0.007 | 79.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 418 | ILE | 0 | 0.002 | -0.012 | 81.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 419 | GLY | 0 | 0.028 | 0.006 | 84.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 420 | VAL | 0 | 0.036 | 0.011 | 80.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 421 | ILE | 0 | -0.049 | -0.019 | 83.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 422 | PHE | 0 | 0.035 | 0.004 | 86.490 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 423 | GLN | 0 | -0.002 | 0.001 | 84.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 424 | LEU | 0 | -0.029 | -0.020 | 83.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 425 | TYR | 0 | -0.076 | -0.050 | 87.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 426 | ALA | 0 | 0.019 | 0.003 | 91.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 427 | ALA | 0 | 0.042 | 0.027 | 89.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 428 | ASN | 0 | -0.072 | -0.058 | 91.167 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 429 | GLU | -1 | -0.895 | -0.944 | 92.415 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 430 | ASN | 0 | -0.036 | -0.016 | 88.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 431 | THR | 0 | 0.030 | 0.019 | 87.240 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 432 | GLU | -1 | -0.701 | -0.790 | 83.322 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 433 | LYS | 1 | 0.837 | 0.920 | 83.376 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 434 | LEU | 0 | 0.039 | 0.033 | 82.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 435 | TYR | 0 | -0.008 | -0.012 | 77.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 436 | LYS | 1 | 0.862 | 0.914 | 78.915 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 437 | GLU | -1 | -0.831 | -0.901 | 78.052 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 438 | VAL | 0 | 0.006 | -0.002 | 78.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 439 | ARG | 1 | 0.910 | 0.948 | 73.580 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 440 | GLN | 0 | -0.080 | -0.033 | 73.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 441 | ARG | 1 | 0.779 | 0.884 | 73.998 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 442 | THR | 0 | -0.023 | -0.013 | 74.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 443 | ASN | 0 | -0.014 | -0.013 | 70.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 444 | ALA | 0 | 0.010 | 0.011 | 73.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 445 | LEU | 0 | -0.015 | 0.014 | 76.434 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 446 | ASP | -1 | -0.711 | -0.845 | 74.249 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 447 | VAL | 0 | 0.033 | 0.010 | 71.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 448 | GLN | 0 | 0.041 | 0.047 | 74.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 449 | PHE | 0 | 0.017 | 0.000 | 77.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 450 | CYS | 0 | -0.057 | -0.027 | 77.494 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 451 | TRP | 0 | 0.018 | 0.012 | 78.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 452 | TYR | 0 | 0.003 | -0.028 | 80.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 453 | LEU | 0 | -0.009 | 0.004 | 82.883 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 454 | ILE | 0 | -0.016 | -0.007 | 80.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 455 | GLN | 0 | 0.010 | 0.004 | 82.177 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 456 | THR | 0 | -0.017 | -0.026 | 85.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 457 | LEU | 0 | -0.044 | -0.028 | 87.362 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 458 | ARG | 1 | 0.829 | 0.913 | 83.623 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 459 | PHE | 0 | -0.040 | -0.024 | 86.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 460 | ASN | 0 | -0.040 | -0.023 | 91.453 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 461 | GLY | 0 | -0.004 | 0.014 | 93.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 462 | THR | 0 | -0.050 | -0.026 | 92.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 463 | ARG | 1 | 0.802 | 0.885 | 89.944 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 464 | VAL | 0 | -0.011 | 0.013 | 90.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 465 | PHE | 0 | 0.003 | -0.012 | 84.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 466 | SER | 0 | -0.044 | -0.040 | 82.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 467 | LYS | 1 | 0.886 | 0.930 | 83.234 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 468 | GLU | -1 | -0.838 | -0.927 | 78.478 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 469 | THR | 0 | -0.014 | -0.042 | 78.784 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 470 | SER | 0 | 0.032 | 0.010 | 79.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 471 | ASP | -1 | -0.762 | -0.840 | 77.675 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 472 | GLU | -1 | -0.926 | -0.960 | 74.757 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 473 | ALA | 0 | 0.031 | 0.012 | 74.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 474 | THR | 0 | -0.044 | -0.031 | 76.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 475 | PHE | 0 | 0.015 | -0.006 | 72.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 476 | ALA | 0 | 0.002 | 0.015 | 71.224 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 477 | PHE | 0 | 0.035 | -0.001 | 71.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 478 | ALA | 0 | 0.037 | 0.018 | 73.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 479 | ALA | 0 | 0.017 | 0.020 | 68.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 480 | GLN | 0 | -0.007 | -0.029 | 66.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 481 | LEU | 0 | -0.030 | -0.009 | 69.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 482 | GLU | -1 | -0.748 | -0.831 | 66.619 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 483 | PHE | 0 | -0.032 | -0.026 | 64.639 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 484 | ALA | 0 | -0.045 | -0.009 | 65.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 485 | GLN | 0 | 0.008 | 0.012 | 63.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 486 | LEU | 0 | 0.025 | 0.044 | 68.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 487 | HIS | 0 | 0.012 | -0.013 | 66.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 488 | GLY | 0 | 0.068 | 0.026 | 71.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 489 | HIS | 1 | 0.890 | 0.939 | 75.371 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 490 | SER | 0 | -0.027 | -0.023 | 71.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 491 | LEU | 0 | -0.003 | 0.012 | 74.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 492 | PHE | 0 | 0.033 | 0.007 | 76.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 493 | VAL | 0 | -0.009 | -0.001 | 76.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 494 | SER | 0 | -0.003 | -0.026 | 75.089 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 495 | CYS | 0 | -0.078 | -0.017 | 77.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 496 | PHE | 0 | 0.015 | -0.002 | 80.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 497 | LEU | 0 | -0.021 | 0.018 | 76.154 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 498 | ASN | 0 | -0.058 | -0.043 | 80.664 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 499 | ASP | -1 | -0.805 | -0.892 | 77.203 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 500 | ASP | -1 | -0.759 | -0.858 | 79.294 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 501 | LYS | 1 | 0.777 | 0.882 | 75.575 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 502 | ALA | 0 | 0.054 | 0.020 | 74.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 503 | ALA | 0 | 0.007 | 0.029 | 75.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 504 | GLU | -1 | -0.828 | -0.894 | 76.114 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 505 | ASP | -1 | -0.864 | -0.929 | 70.539 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 506 | THR | 0 | -0.016 | -0.027 | 72.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 507 | ILE | 0 | 0.016 | 0.001 | 72.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 508 | LYS | 1 | 0.780 | 0.863 | 72.121 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 509 | ARG | 1 | 0.819 | 0.895 | 67.069 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 510 | LEU | 0 | -0.023 | -0.002 | 69.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 511 | VAL | 0 | 0.042 | 0.007 | 70.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 512 | MET | 0 | -0.058 | -0.047 | 69.154 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 513 | ARG | 1 | 0.706 | 0.852 | 64.132 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 514 | GLU | -1 | -0.766 | -0.875 | 66.474 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 515 | ILE | 0 | -0.039 | -0.019 | 69.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 516 | THR | 0 | -0.033 | -0.014 | 67.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 517 | LEU | 0 | 0.014 | 0.011 | 67.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 518 | LEU | 0 | 0.002 | 0.015 | 71.518 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 519 | ARG | 1 | 0.847 | 0.898 | 74.613 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 520 | ALA | 0 | -0.009 | 0.022 | 74.670 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 521 | SER | 0 | 0.004 | 0.002 | 76.769 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 522 | THR | 0 | -0.031 | -0.035 | 79.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 523 | ASN | 0 | 0.073 | 0.044 | 78.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 524 | ASP | -1 | -0.782 | -0.879 | 76.875 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 525 | HIS | 0 | -0.006 | 0.004 | 79.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 526 | ILE | 0 | -0.021 | -0.020 | 82.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 527 | LEU | 0 | 0.026 | 0.021 | 77.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 528 | ASN | 0 | -0.092 | -0.058 | 77.988 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 529 | ARG | 1 | 0.875 | 0.926 | 81.227 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 530 | LEU | 0 | 0.029 | 0.039 | 81.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 531 | LYS | 1 | 0.834 | 0.907 | 83.883 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 532 | ILE | 0 | 0.044 | 0.040 | 78.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 533 | PRO | 0 | -0.004 | 0.003 | 79.912 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 534 | SER | 0 | 0.054 | 0.008 | 80.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 535 | GLN | 0 | -0.008 | -0.004 | 78.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 536 | LEU | 0 | -0.002 | 0.016 | 74.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 537 | ILE | 0 | 0.030 | 0.021 | 75.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 538 | PHE | 0 | 0.000 | -0.004 | 76.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 539 | ASN | 0 | -0.014 | -0.005 | 73.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 540 | ALA | 0 | 0.023 | 0.015 | 71.847 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 541 | GLN | 0 | -0.020 | -0.015 | 71.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 542 | ALA | 0 | 0.018 | 0.011 | 71.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 543 | LEU | 0 | -0.035 | -0.019 | 65.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 544 | LYS | 1 | 0.832 | 0.900 | 66.701 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 545 | ASP | -1 | -0.807 | -0.903 | 67.451 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 546 | ARG | 1 | 0.880 | 0.934 | 66.186 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 547 | TYR | 0 | -0.106 | -0.060 | 61.210 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 548 | GLU | -1 | -0.801 | -0.866 | 62.962 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 549 | GLY | 0 | 0.002 | 0.012 | 65.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 550 | ASN | 0 | -0.061 | -0.033 | 66.242 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 551 | TYR | 0 | -0.009 | 0.001 | 69.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 552 | LEU | 0 | -0.033 | -0.008 | 71.845 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |