![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: QVLLY
Calculation Name: 2RGY-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2RGY
Chain ID: A
UniProt ID: B2JNW3
Base Structure: X-ray
Registration Date: 2023-09-23
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 | 275 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -3649282.341506 |
---|---|
FMO2-HF: Nuclear repulsion | 3543187.13404 |
FMO2-HF: Total energy | -106095.207466 |
FMO2-MP2: Total energy | -106403.98692 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F035149/ligand_interaction/ligand_F035149.png)
Ligand Interaction
![ligand interaction](./Kdata/F035149/ligand_interaction/ligand_interaction_F035149.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:85:LEU)
Summations of interaction energy for
fragment #1(A:85:LEU)
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. |
-33.109 | -24.236 | 17.152 | -10.521 | -15.504 | -0.089 |
Interaction energy analysis for fragmet #1(A:85:LEU)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 87 | ILE | 0 | -0.048 | -0.031 | 2.170 | -1.680 | 1.504 | 2.479 | -1.868 | -3.795 | -0.001 |
4 | A | 88 | ILE | 0 | 0.007 | 0.021 | 4.088 | -1.742 | -1.347 | 0.001 | -0.106 | -0.290 | 0.000 |
5 | A | 89 | GLY | 0 | 0.024 | 0.002 | 6.482 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 90 | LEU | 0 | -0.019 | -0.013 | 7.533 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 91 | PHE | 0 | 0.033 | 0.012 | 11.280 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 92 | VAL | 0 | 0.024 | 0.003 | 14.010 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 93 | PRO | 0 | 0.031 | 0.036 | 17.476 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 94 | THR | 0 | 0.011 | 0.004 | 20.324 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 95 | PHE | 0 | -0.001 | -0.005 | 15.363 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 96 | PHE | 0 | -0.057 | -0.020 | 20.988 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 97 | GLY | 0 | 0.079 | 0.046 | 24.721 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 98 | SER | 0 | -0.096 | -0.091 | 24.857 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 99 | TYR | 0 | 0.068 | 0.052 | 23.419 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 100 | TYR | 0 | 0.082 | 0.014 | 20.504 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 101 | GLY | 0 | -0.001 | 0.009 | 20.268 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 102 | THR | 0 | -0.055 | -0.041 | 20.949 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 103 | ILE | 0 | 0.028 | 0.021 | 17.245 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 104 | LEU | 0 | 0.002 | 0.013 | 15.434 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 105 | LYS | 1 | 0.940 | 0.971 | 16.487 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 106 | GLN | 0 | 0.004 | -0.007 | 18.151 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 107 | THR | 0 | 0.013 | 0.001 | 12.348 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 108 | ASP | -1 | -0.837 | -0.894 | 13.420 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 109 | LEU | 0 | -0.044 | -0.015 | 14.337 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 110 | GLU | -1 | -0.780 | -0.868 | 15.381 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 111 | LEU | 0 | 0.004 | 0.001 | 8.934 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 112 | ARG | 1 | 0.845 | 0.901 | 12.088 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 113 | ALA | 0 | -0.019 | 0.005 | 13.838 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 114 | VAL | 0 | -0.074 | -0.026 | 10.602 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 115 | HIS | 0 | -0.069 | -0.041 | 11.036 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 116 | ARG | 1 | 0.862 | 0.944 | 6.098 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 117 | HIS | 0 | 0.001 | -0.007 | 6.364 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 118 | VAL | 0 | 0.020 | 0.017 | 7.358 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 119 | VAL | 0 | -0.018 | 0.009 | 5.217 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 120 | VAL | 0 | -0.025 | -0.018 | 8.208 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 121 | ALA | 0 | -0.007 | -0.002 | 11.277 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 122 | THR | 0 | -0.012 | -0.027 | 13.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 123 | GLY | 0 | 0.008 | 0.016 | 16.784 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 124 | CYS | 0 | -0.061 | -0.037 | 17.631 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 125 | GLY | 0 | 0.017 | 0.004 | 20.017 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 126 | GLU | -1 | -0.977 | -0.992 | 22.618 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 127 | SER | 0 | -0.016 | -0.008 | 22.410 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 128 | THR | 0 | 0.005 | 0.002 | 25.318 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 129 | PRO | 0 | 0.083 | 0.027 | 24.220 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 130 | ARG | 1 | 0.779 | 0.857 | 22.643 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 131 | GLU | -1 | -0.827 | -0.928 | 21.636 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 132 | GLN | 0 | -0.033 | -0.009 | 20.402 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 133 | ALA | 0 | 0.004 | 0.002 | 18.026 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 134 | LEU | 0 | -0.014 | 0.000 | 16.726 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 135 | GLU | -1 | -0.929 | -0.956 | 16.205 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 136 | ALA | 0 | -0.005 | 0.009 | 14.196 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 137 | VAL | 0 | 0.025 | 0.001 | 12.266 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 138 | ARG | 1 | 0.872 | 0.925 | 11.276 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 139 | PHE | 0 | -0.038 | -0.006 | 10.163 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 140 | LEU | 0 | -0.032 | -0.011 | 7.700 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 141 | ILE | 0 | -0.005 | -0.012 | 6.446 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 142 | GLY | 0 | 0.005 | 0.016 | 7.339 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 143 | ARG | 1 | 0.822 | 0.916 | 2.365 | -2.556 | -1.703 | 3.312 | -0.967 | -3.198 | 0.004 |
60 | A | 144 | ASP | -1 | -0.904 | -0.947 | 2.729 | -5.033 | -3.396 | 0.662 | -0.854 | -1.444 | -0.010 |
61 | A | 145 | CYS | 0 | -0.079 | -0.028 | 2.407 | -5.179 | -2.964 | 1.592 | -1.528 | -2.280 | -0.012 |
62 | A | 146 | ASP | -1 | -0.724 | -0.839 | 1.916 | -16.259 | -15.882 | 9.108 | -5.164 | -4.321 | -0.070 |
63 | A | 147 | GLY | 0 | 0.044 | 0.004 | 4.707 | 1.091 | 1.176 | -0.001 | -0.016 | -0.068 | 0.000 |
64 | A | 148 | VAL | 0 | -0.047 | -0.014 | 7.350 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 149 | VAL | 0 | 0.001 | 0.000 | 9.726 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 150 | VAL | 0 | 0.012 | -0.002 | 12.806 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 151 | ILE | 0 | 0.011 | 0.012 | 15.389 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 152 | SER | 0 | 0.024 | -0.011 | 18.819 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 153 | HIS | 0 | 0.015 | 0.025 | 21.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 154 | ASP | -1 | -0.883 | -0.945 | 23.302 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 155 | LEU | 0 | -0.022 | 0.001 | 18.342 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 156 | HIS | 0 | -0.033 | -0.028 | 23.064 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 157 | ASP | -1 | -0.785 | -0.890 | 23.852 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 158 | GLU | -1 | -0.861 | -0.921 | 23.891 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 159 | ASP | -1 | -0.748 | -0.849 | 20.628 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 160 | LEU | 0 | -0.034 | -0.015 | 19.362 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 161 | ASP | -1 | -0.885 | -0.945 | 19.100 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 162 | GLU | -1 | -0.945 | -0.949 | 18.939 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 163 | LEU | 0 | 0.001 | -0.025 | 14.879 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 164 | HIS | 0 | 0.066 | 0.032 | 14.824 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 165 | ARG | 1 | 0.787 | 0.882 | 15.998 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 166 | MET | 0 | -0.105 | -0.043 | 13.526 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 167 | HIS | 0 | -0.037 | -0.026 | 6.914 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 168 | PRO | 0 | 0.032 | 0.014 | 12.359 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 169 | LYS | 1 | 0.816 | 0.912 | 8.398 | 1.009 | 1.009 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 170 | MET | 0 | 0.018 | 0.020 | 10.798 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 171 | VAL | 0 | -0.033 | -0.014 | 13.318 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 172 | PHE | 0 | 0.003 | 0.003 | 15.688 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 173 | LEU | 0 | 0.001 | -0.012 | 17.367 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 174 | ASN | 0 | -0.043 | -0.028 | 20.437 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 175 | ARG | 1 | 0.855 | 0.904 | 21.748 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 176 | ALA | 0 | 0.036 | 0.047 | 23.559 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 177 | PHE | 0 | 0.039 | -0.003 | 20.117 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 178 | ASP | -1 | -0.897 | -0.947 | 23.906 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 179 | ALA | 0 | -0.033 | 0.000 | 23.432 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 180 | LEU | 0 | -0.057 | -0.035 | 18.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 181 | PRO | 0 | 0.082 | 0.039 | 22.134 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 182 | ASP | -1 | -0.891 | -0.942 | 20.852 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 183 | ALA | 0 | 0.040 | 0.033 | 18.219 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 184 | SER | 0 | -0.078 | -0.047 | 19.306 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 185 | PHE | 0 | -0.009 | -0.007 | 19.169 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 186 | CYS | 0 | -0.023 | -0.019 | 22.951 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 187 | PRO | 0 | 0.029 | 0.025 | 25.874 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 188 | ASP | -1 | -0.805 | -0.906 | 28.894 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 189 | HIS | 0 | 0.066 | 0.013 | 27.860 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 190 | ARG | 1 | 0.897 | 0.961 | 33.057 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 191 | ARG | 1 | 0.880 | 0.922 | 36.126 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 192 | GLY | 0 | 0.038 | 0.009 | 35.280 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 193 | GLY | 0 | 0.033 | 0.011 | 36.281 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 194 | GLU | -1 | -0.853 | -0.896 | 38.398 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 195 | LEU | 0 | -0.002 | -0.008 | 38.070 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 196 | ALA | 0 | 0.035 | 0.038 | 39.326 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 197 | ALA | 0 | -0.011 | -0.005 | 41.316 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 198 | ALA | 0 | 0.011 | 0.006 | 44.283 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 199 | THR | 0 | 0.015 | 0.008 | 43.237 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 200 | LEU | 0 | -0.006 | -0.003 | 44.377 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 201 | ILE | 0 | -0.015 | -0.016 | 47.466 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 202 | GLU | -1 | -0.927 | -0.947 | 48.647 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 203 | HIS | 0 | -0.112 | -0.064 | 48.066 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 204 | GLY | 0 | -0.032 | -0.025 | 51.729 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 205 | HIS | 1 | 0.822 | 0.916 | 50.343 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 206 | ARG | 1 | 0.883 | 0.924 | 51.941 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 207 | LYS | 1 | 0.935 | 0.976 | 52.565 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 208 | LEU | 0 | 0.027 | 0.007 | 46.932 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 209 | ALA | 0 | 0.053 | 0.030 | 46.335 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 210 | VAL | 0 | -0.011 | -0.007 | 40.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 211 | ILE | 0 | 0.027 | 0.030 | 37.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 212 | SER | 0 | -0.018 | -0.033 | 36.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 213 | GLY | 0 | 0.001 | 0.019 | 32.627 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 214 | PRO | 0 | 0.053 | 0.024 | 30.057 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 215 | PHE | 0 | -0.030 | -0.038 | 32.837 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 216 | THR | 0 | -0.039 | -0.019 | 30.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 217 | ALA | 0 | 0.002 | 0.031 | 28.829 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 218 | SER | 0 | 0.086 | 0.026 | 28.040 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 219 | ASP | -1 | -0.812 | -0.904 | 27.762 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 220 | ASN | 0 | -0.023 | -0.024 | 29.808 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 221 | VAL | 0 | 0.026 | 0.009 | 32.673 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 222 | GLU | -1 | -0.908 | -0.950 | 31.285 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 223 | ARG | 1 | 0.810 | 0.915 | 29.690 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 224 | LEU | 0 | -0.024 | -0.029 | 35.496 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 225 | ASP | -1 | -0.825 | -0.889 | 37.879 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 226 | GLY | 0 | 0.030 | 0.017 | 38.446 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 227 | PHE | 0 | -0.047 | -0.019 | 39.871 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 228 | PHE | 0 | 0.016 | -0.033 | 41.698 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 229 | ASP | -1 | -0.839 | -0.881 | 42.021 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 230 | GLU | -1 | -0.828 | -0.918 | 44.285 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 231 | LEU | 0 | -0.028 | -0.005 | 45.753 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 232 | ALA | 0 | 0.037 | 0.030 | 47.759 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 233 | ARG | 1 | 0.775 | 0.873 | 43.702 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 234 | HIS | 1 | 0.780 | 0.885 | 49.569 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 235 | GLY | 0 | 0.026 | 0.014 | 52.759 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 236 | ILE | 0 | -0.087 | -0.040 | 50.250 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 237 | ALA | 0 | 0.029 | 0.025 | 50.274 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 238 | ARG | 1 | 0.909 | 0.930 | 40.064 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 239 | ASP | -1 | -0.907 | -0.960 | 47.679 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 240 | SER | 0 | -0.099 | -0.042 | 49.532 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 241 | VAL | 0 | -0.064 | -0.031 | 46.056 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 242 | PRO | 0 | -0.013 | 0.002 | 47.031 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 243 | LEU | 0 | 0.004 | -0.005 | 39.914 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 244 | ILE | 0 | -0.060 | -0.021 | 40.827 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 245 | GLU | -1 | -0.831 | -0.901 | 35.680 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 246 | SER | 0 | -0.036 | -0.036 | 36.080 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 247 | ASP | -1 | -0.786 | -0.879 | 31.122 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 248 | PHE | 0 | -0.019 | -0.033 | 29.034 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 249 | SER | 0 | 0.003 | -0.016 | 30.537 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 250 | PRO | 0 | 0.005 | -0.013 | 30.770 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 251 | GLU | -1 | -0.857 | -0.927 | 32.090 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 252 | GLY | 0 | 0.058 | 0.045 | 34.480 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 253 | GLY | 0 | 0.035 | 0.004 | 35.673 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 254 | TYR | 0 | -0.064 | -0.047 | 37.499 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 255 | ALA | 0 | 0.028 | 0.018 | 39.324 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 256 | ALA | 0 | 0.018 | 0.010 | 39.380 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 257 | THR | 0 | 0.004 | -0.015 | 41.290 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 258 | CYS | 0 | -0.107 | -0.047 | 43.553 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 259 | GLN | 0 | 0.065 | 0.035 | 42.646 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 260 | LEU | 0 | 0.007 | 0.014 | 45.163 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 261 | LEU | 0 | 0.009 | 0.011 | 47.071 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 262 | GLU | -1 | -0.965 | -0.986 | 48.439 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 263 | SER | 0 | -0.030 | -0.026 | 49.530 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 264 | LYS | 1 | 0.798 | 0.900 | 51.497 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 265 | ALA | 0 | 0.009 | 0.019 | 50.713 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 266 | PRO | 0 | -0.027 | -0.014 | 52.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 267 | PHE | 0 | -0.014 | -0.026 | 47.609 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 268 | THR | 0 | 0.021 | 0.017 | 51.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 269 | GLY | 0 | -0.045 | -0.008 | 48.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 270 | LEU | 0 | 0.006 | -0.002 | 42.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 271 | PHE | 0 | 0.002 | -0.002 | 37.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 272 | CYS | 0 | -0.036 | 0.003 | 37.578 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 273 | ALA | 0 | 0.052 | 0.019 | 34.049 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 274 | ASN | 0 | 0.066 | 0.033 | 29.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 275 | ASP | -1 | -0.732 | -0.846 | 32.730 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 276 | THR | 0 | -0.042 | -0.009 | 30.882 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 277 | MET | 0 | -0.023 | 0.019 | 33.297 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 278 | ALA | 0 | 0.017 | -0.001 | 35.879 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 279 | VAL | 0 | -0.002 | -0.007 | 36.009 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 280 | SER | 0 | -0.043 | -0.037 | 36.752 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 281 | ALA | 0 | 0.012 | 0.014 | 39.074 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 282 | LEU | 0 | -0.039 | -0.022 | 40.735 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 283 | ALA | 0 | -0.010 | 0.002 | 40.999 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 284 | ARG | 1 | 0.892 | 0.946 | 43.060 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 285 | PHE | 0 | 0.010 | -0.015 | 45.184 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 286 | GLN | 0 | 0.022 | 0.022 | 46.379 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 287 | GLN | 0 | 0.018 | 0.024 | 44.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 288 | LEU | 0 | -0.073 | -0.037 | 48.963 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 289 | GLY | 0 | -0.019 | 0.007 | 51.447 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 290 | ILE | 0 | -0.047 | -0.009 | 50.303 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 291 | SER | 0 | -0.030 | -0.047 | 50.160 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 292 | VAL | 0 | -0.011 | 0.023 | 45.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 293 | PRO | 0 | -0.063 | -0.049 | 48.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 294 | GLY | 0 | -0.056 | -0.029 | 49.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 295 | ASP | -1 | -0.840 | -0.882 | 52.826 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 296 | VAL | 0 | -0.020 | -0.018 | 47.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 297 | SER | 0 | -0.040 | -0.013 | 47.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 298 | VAL | 0 | 0.020 | 0.002 | 41.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 299 | ILE | 0 | -0.027 | 0.015 | 40.084 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 300 | GLY | 0 | 0.028 | 0.006 | 37.249 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 301 | TYR | 0 | -0.013 | -0.050 | 31.469 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 302 | ASP | -1 | -0.863 | -0.932 | 29.637 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 303 | ASP | -1 | -0.740 | -0.813 | 31.323 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 304 | ASP | -1 | -0.725 | -0.833 | 28.290 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 305 | TYR | 0 | -0.046 | -0.036 | 29.984 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 306 | SER | 0 | -0.018 | -0.014 | 31.867 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 307 | ALA | 0 | -0.031 | -0.013 | 33.517 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 308 | ALA | 0 | -0.027 | -0.023 | 36.051 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 309 | TYR | 0 | -0.047 | -0.026 | 34.793 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 310 | ALA | 0 | 0.007 | 0.031 | 38.380 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 311 | ALA | 0 | -0.032 | 0.002 | 39.818 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 312 | PRO | 0 | -0.015 | -0.025 | 43.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 313 | ALA | 0 | 0.044 | 0.011 | 41.402 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 314 | LEU | 0 | 0.008 | -0.001 | 36.835 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 315 | THR | 0 | -0.005 | 0.004 | 39.325 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 316 | SER | 0 | -0.023 | -0.042 | 35.444 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 317 | VAL | 0 | 0.028 | 0.027 | 35.079 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 318 | HIS | 0 | -0.077 | -0.066 | 31.670 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 319 | ILE | 0 | 0.035 | 0.012 | 28.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 320 | PRO | 0 | 0.037 | 0.049 | 28.521 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 321 | THR | 0 | 0.015 | -0.014 | 23.461 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 322 | ALA | 0 | -0.017 | -0.002 | 23.235 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 323 | GLU | -1 | -0.843 | -0.928 | 22.854 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 324 | LEU | 0 | 0.042 | 0.031 | 23.347 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 325 | THR | 0 | -0.013 | -0.007 | 18.074 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 326 | GLN | 0 | -0.065 | -0.031 | 18.639 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 327 | ASN | 0 | -0.022 | -0.036 | 18.767 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 328 | ALA | 0 | 0.044 | 0.030 | 18.184 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 329 | VAL | 0 | 0.012 | -0.015 | 13.224 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 330 | ARG | 1 | 0.831 | 0.899 | 14.064 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 331 | TRP | 0 | -0.043 | -0.032 | 15.175 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 332 | LEU | 0 | 0.022 | 0.014 | 10.560 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 333 | ILE | 0 | 0.019 | 0.010 | 10.498 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 334 | ASN | 0 | -0.016 | 0.020 | 11.111 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 335 | GLN | 0 | -0.023 | -0.002 | 11.860 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 336 | CYS | 0 | -0.110 | -0.033 | 6.919 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 337 | TYR | 0 | -0.077 | -0.098 | 4.186 | 0.728 | 0.855 | -0.001 | -0.018 | -0.108 | 0.000 |
254 | A | 338 | GLY | 0 | 0.004 | 0.023 | 9.023 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 339 | THR | 0 | -0.022 | -0.026 | 12.560 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 340 | LYS | 1 | 0.874 | 0.918 | 14.648 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 341 | TRP | 0 | 0.000 | 0.011 | 15.335 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 342 | GLU | -1 | -0.928 | -0.951 | 19.430 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 343 | ILE | 0 | -0.072 | -0.039 | 18.349 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 344 | PHE | 0 | -0.023 | -0.013 | 22.424 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 345 | ARG | 1 | 0.885 | 0.931 | 20.651 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 346 | GLU | -1 | -0.917 | -0.938 | 26.332 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 347 | PHE | 0 | -0.018 | -0.018 | 25.834 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 348 | PRO | 0 | -0.026 | -0.005 | 31.079 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 349 | VAL | 0 | 0.037 | 0.032 | 33.379 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 350 | THR | 0 | -0.061 | -0.040 | 34.831 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 351 | VAL | 0 | 0.034 | 0.016 | 37.031 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 352 | SER | 0 | -0.023 | -0.023 | 36.231 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 353 | MET | 0 | -0.037 | -0.026 | 39.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 354 | ARG | 1 | 0.760 | 0.838 | 36.048 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 355 | ALA | 0 | -0.031 | -0.013 | 43.383 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 356 | SER | 0 | 0.020 | 0.011 | 43.154 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 357 | VAL | 0 | -0.010 | -0.008 | 44.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 358 | ALA | 0 | 0.044 | 0.024 | 47.103 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 359 | ARG | 1 | 0.857 | 0.941 | 50.851 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |