![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: ZNYZN
Calculation Name: 3DMY-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3DMY
Chain ID: A
UniProt ID: Q47208
Base Structure: X-ray
Registration Date: 2023-09-26
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 | 455 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7189849.008418 |
---|---|
FMO2-HF: Nuclear repulsion | 7021070.791615 |
FMO2-HF: Total energy | -168778.216803 |
FMO2-MP2: Total energy | -169267.600416 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F039638/ligand_interaction/ligand_F039638.png)
Ligand Interaction
![ligand interaction](./Kdata/F039638/ligand_interaction/ligand_interaction_F039638.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:101:ALA)
Summations of interaction energy for
fragment #1(A:101:ALA)
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. |
-5.39 | -1.805 | 1.826 | -2.625 | -2.786 | -0.014 |
Interaction energy analysis for fragmet #1(A:101:ALA)
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 | 103 | THR | 0 | 0.021 | 0.009 | 3.811 | 0.022 | 2.079 | -0.017 | -1.054 | -0.986 | 0.007 |
4 | A | 104 | GLN | 0 | -0.007 | 0.010 | 6.145 | 0.495 | 0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 105 | VAL | 0 | -0.002 | -0.006 | 8.615 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 106 | ARG | 1 | 0.866 | 0.921 | 11.904 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 107 | ARG | 1 | 0.859 | 0.933 | 15.462 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 108 | TRP | 0 | 0.093 | 0.036 | 16.762 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 109 | ASP | -1 | -0.781 | -0.871 | 17.807 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 110 | SER | 0 | -0.036 | -0.037 | 14.550 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 111 | ALA | 0 | 0.002 | -0.003 | 13.651 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 112 | CYS | 0 | 0.002 | -0.009 | 14.556 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 113 | GLN | 0 | 0.010 | 0.023 | 13.737 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 114 | LYS | 1 | 0.837 | 0.920 | 9.351 | 0.676 | 0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 115 | LEU | 0 | 0.000 | 0.000 | 11.523 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 116 | PRO | 0 | -0.012 | -0.011 | 13.977 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 117 | ASP | -1 | -0.923 | -0.946 | 16.038 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 118 | ALA | 0 | -0.014 | -0.011 | 16.153 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 119 | ASN | 0 | -0.017 | -0.027 | 17.250 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 120 | LEU | 0 | -0.018 | -0.005 | 18.226 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 121 | ALA | 0 | -0.010 | 0.005 | 17.656 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 122 | LEU | 0 | 0.007 | 0.005 | 15.600 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 123 | ILE | 0 | -0.018 | -0.012 | 17.909 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 124 | SER | 0 | 0.046 | 0.017 | 17.811 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 125 | VAL | 0 | -0.031 | -0.001 | 20.045 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 126 | ALA | 0 | -0.008 | 0.016 | 21.864 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 127 | GLY | 0 | 0.107 | 0.054 | 25.185 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 128 | GLU | -1 | -0.921 | -0.967 | 27.880 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 129 | TYR | 0 | -0.005 | -0.023 | 25.649 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 130 | ALA | 0 | -0.041 | -0.008 | 25.144 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 131 | ALA | 0 | 0.100 | 0.035 | 26.197 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 132 | GLU | -1 | -0.934 | -0.960 | 27.181 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 133 | LEU | 0 | 0.016 | -0.011 | 21.440 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 134 | ALA | 0 | 0.038 | 0.014 | 24.246 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 135 | ASN | 0 | 0.046 | 0.008 | 26.036 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 136 | GLN | 0 | -0.005 | 0.016 | 24.486 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 137 | ALA | 0 | 0.005 | 0.004 | 22.906 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 138 | LEU | 0 | 0.046 | 0.028 | 24.094 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 139 | ASP | -1 | -0.880 | -0.912 | 27.256 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 140 | ARG | 1 | 0.800 | 0.890 | 22.002 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 141 | ASN | 0 | -0.021 | -0.012 | 24.467 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 142 | LEU | 0 | 0.028 | 0.030 | 20.165 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 143 | ASN | 0 | 0.040 | 0.021 | 22.839 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 144 | VAL | 0 | -0.002 | -0.012 | 22.345 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 145 | MET | 0 | 0.029 | 0.021 | 21.033 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 146 | MET | 0 | -0.036 | -0.004 | 21.908 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 147 | PHE | 0 | 0.033 | 0.017 | 21.248 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 148 | SER | 0 | -0.077 | -0.061 | 23.176 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 149 | ASP | -1 | -0.776 | -0.864 | 25.089 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 150 | ASN | 0 | -0.119 | -0.080 | 28.496 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 151 | VAL | 0 | 0.042 | 0.029 | 28.782 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 152 | THR | 0 | 0.007 | -0.013 | 31.884 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 153 | LEU | 0 | 0.026 | 0.010 | 34.828 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 154 | GLU | -1 | -0.868 | -0.940 | 36.697 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 155 | ASP | -1 | -0.834 | -0.894 | 32.786 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 156 | GLU | -1 | -0.783 | -0.875 | 32.458 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 157 | ILE | 0 | -0.023 | -0.021 | 33.502 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 158 | GLN | 0 | 0.005 | 0.028 | 33.091 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 159 | LEU | 0 | -0.023 | -0.021 | 29.257 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 160 | LYS | 1 | 0.746 | 0.871 | 31.225 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 161 | THR | 0 | -0.062 | -0.041 | 33.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 162 | ARG | 1 | 0.823 | 0.901 | 30.520 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 163 | ALA | 0 | 0.001 | -0.007 | 30.263 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 164 | ARG | 1 | 0.994 | 1.017 | 31.902 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 165 | GLU | -1 | -0.985 | -0.981 | 34.784 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 166 | LYS | 1 | 0.808 | 0.887 | 30.052 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 167 | GLY | 0 | -0.017 | 0.005 | 31.916 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 168 | LEU | 0 | -0.090 | -0.036 | 26.596 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 169 | LEU | 0 | 0.038 | 0.007 | 26.390 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 170 | VAL | 0 | -0.009 | -0.010 | 26.447 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 171 | MET | 0 | -0.005 | 0.000 | 22.360 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 172 | GLY | 0 | 0.025 | -0.025 | 26.484 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 173 | PRO | 0 | -0.051 | -0.027 | 27.694 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 174 | ASP | -1 | -0.928 | -0.969 | 27.371 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 175 | CYS | 0 | -0.072 | 0.011 | 24.512 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 176 | GLY | 0 | 0.005 | -0.013 | 23.760 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 177 | THR | 0 | -0.018 | -0.025 | 22.374 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 178 | SER | 0 | 0.049 | 0.007 | 21.635 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 179 | MET | 0 | -0.027 | 0.004 | 20.037 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 180 | ILE | 0 | 0.038 | 0.035 | 19.875 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 181 | ALA | 0 | 0.080 | 0.051 | 19.260 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 182 | GLY | 0 | 0.032 | 0.022 | 18.603 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 183 | THR | 0 | -0.065 | -0.041 | 14.386 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 184 | PRO | 0 | -0.030 | -0.010 | 13.885 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 185 | LEU | 0 | 0.011 | -0.009 | 15.346 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 186 | ALA | 0 | -0.004 | 0.001 | 16.779 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 187 | PHE | 0 | -0.006 | 0.012 | 17.883 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 188 | ALA | 0 | -0.006 | 0.020 | 18.153 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 189 | ASN | 0 | 0.006 | -0.013 | 19.493 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 190 | VAL | 0 | 0.005 | -0.007 | 17.111 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 191 | MET | 0 | -0.013 | 0.010 | 19.818 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 192 | PRO | 0 | 0.012 | 0.010 | 22.358 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 193 | GLU | -1 | -0.926 | -0.967 | 23.193 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 194 | GLY | 0 | -0.009 | -0.015 | 25.529 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 195 | ASN | 0 | -0.033 | 0.011 | 28.897 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 196 | ILE | 0 | 0.021 | 0.012 | 30.707 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 197 | GLY | 0 | 0.017 | 0.016 | 29.445 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 198 | VAL | 0 | -0.012 | -0.019 | 28.385 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 199 | ILE | 0 | 0.007 | 0.016 | 28.849 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 200 | GLY | 0 | 0.046 | 0.005 | 29.978 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 201 | ALA | 0 | -0.036 | -0.005 | 30.075 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 202 | SER | 0 | -0.015 | -0.038 | 30.446 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 203 | GLY | 0 | 0.057 | 0.042 | 27.302 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 204 | THR | 0 | 0.052 | 0.007 | 27.505 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 205 | GLY | 0 | -0.004 | 0.014 | 28.880 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 206 | ILE | 0 | 0.024 | 0.023 | 26.480 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 207 | GLN | 0 | -0.036 | -0.023 | 23.242 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 208 | GLU | -1 | -0.806 | -0.898 | 27.095 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 209 | LEU | 0 | -0.021 | -0.001 | 30.321 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 210 | CYS | 0 | -0.048 | -0.040 | 26.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 211 | SER | 0 | -0.057 | -0.024 | 27.739 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 212 | GLN | 0 | -0.009 | -0.039 | 28.739 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 213 | ILE | 0 | 0.002 | 0.003 | 30.373 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 214 | ALA | 0 | -0.011 | 0.001 | 27.599 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 215 | LEU | 0 | -0.068 | -0.013 | 29.659 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 216 | ALA | 0 | -0.058 | -0.037 | 32.001 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 217 | GLY | 0 | -0.036 | -0.019 | 32.647 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 218 | GLU | -1 | -0.836 | -0.907 | 31.976 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 219 | GLY | 0 | 0.016 | -0.010 | 28.214 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 220 | ILE | 0 | -0.078 | -0.047 | 24.259 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 221 | THR | 0 | -0.028 | -0.013 | 26.069 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 222 | HIS | 0 | 0.004 | -0.020 | 24.173 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 223 | ALA | 0 | -0.001 | 0.009 | 24.296 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 224 | ILE | 0 | -0.034 | -0.033 | 24.605 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 225 | GLY | 0 | 0.041 | 0.019 | 25.548 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 226 | LEU | 0 | -0.033 | -0.029 | 27.158 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 227 | GLY | 0 | 0.079 | 0.046 | 29.311 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 228 | GLY | 0 | -0.001 | -0.004 | 30.081 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 229 | ARG | 1 | 0.822 | 0.866 | 32.732 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 230 | ASP | -1 | -0.702 | -0.824 | 33.045 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 231 | LEU | 0 | 0.010 | -0.005 | 35.098 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 232 | SER | 0 | -0.057 | -0.022 | 38.113 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 233 | ARG | 1 | 0.931 | 0.951 | 40.102 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 234 | GLU | -1 | -0.893 | -0.961 | 41.004 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 235 | VAL | 0 | -0.038 | 0.005 | 35.529 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 236 | GLY | 0 | -0.029 | -0.008 | 38.984 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 237 | GLY | 0 | 0.038 | 0.017 | 37.076 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 238 | ILE | 0 | -0.038 | -0.019 | 34.677 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 239 | SER | 0 | 0.027 | -0.004 | 30.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 240 | ALA | 0 | 0.004 | 0.000 | 32.643 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 241 | LEU | 0 | -0.041 | -0.021 | 34.559 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 242 | THR | 0 | 0.021 | 0.019 | 31.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 243 | ALA | 0 | -0.016 | -0.012 | 30.771 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 244 | LEU | 0 | -0.008 | -0.012 | 31.752 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 245 | GLU | -1 | -0.914 | -0.949 | 34.805 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 246 | MET | 0 | -0.032 | -0.023 | 26.681 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 247 | LEU | 0 | 0.021 | 0.008 | 28.516 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 248 | SER | 0 | -0.001 | 0.016 | 31.952 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 249 | ALA | 0 | -0.027 | -0.009 | 33.176 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 250 | ASP | -1 | -0.780 | -0.895 | 28.943 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 251 | GLU | -1 | -0.919 | -0.971 | 31.643 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 252 | LYS | 1 | 0.896 | 0.952 | 26.697 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 253 | SER | 0 | -0.038 | -0.016 | 29.856 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 254 | GLU | -1 | -0.813 | -0.875 | 32.009 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 255 | VAL | 0 | -0.005 | 0.004 | 34.464 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 256 | LEU | 0 | -0.019 | 0.000 | 33.452 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 257 | ALA | 0 | 0.026 | 0.027 | 33.231 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 258 | PHE | 0 | 0.005 | -0.005 | 33.245 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 259 | VAL | 0 | 0.035 | 0.029 | 32.235 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 260 | SER | 0 | -0.021 | -0.020 | 33.984 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 261 | LYS | 1 | 0.911 | 0.964 | 35.505 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 262 | PRO | 0 | 0.035 | 0.016 | 38.871 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 263 | PRO | 0 | -0.005 | 0.019 | 40.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 264 | ALA | 0 | -0.010 | -0.009 | 42.675 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 265 | GLU | -1 | -0.836 | -0.921 | 45.908 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 266 | ALA | 0 | 0.008 | -0.002 | 47.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 267 | VAL | 0 | -0.022 | -0.009 | 41.140 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 268 | ARG | 1 | 0.953 | 0.967 | 43.134 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 269 | LEU | 0 | -0.011 | 0.007 | 44.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 270 | LYS | 1 | 0.871 | 0.931 | 41.990 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 271 | ILE | 0 | -0.004 | -0.007 | 38.258 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 272 | VAL | 0 | 0.065 | 0.032 | 41.549 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 273 | ASN | 0 | -0.003 | 0.001 | 43.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 274 | ALA | 0 | 0.011 | 0.016 | 40.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 275 | MET | 0 | -0.020 | -0.017 | 38.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 276 | LYS | 1 | 0.772 | 0.869 | 40.915 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 277 | ALA | 0 | -0.032 | -0.014 | 42.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 278 | THR | 0 | -0.034 | -0.013 | 37.564 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 279 | GLY | 0 | -0.002 | 0.011 | 40.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 280 | LYS | 1 | 0.795 | 0.905 | 34.603 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 281 | PRO | 0 | -0.012 | 0.019 | 39.521 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 282 | THR | 0 | 0.002 | -0.009 | 37.769 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 283 | VAL | 0 | -0.023 | -0.007 | 37.720 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 284 | ALA | 0 | -0.014 | -0.010 | 37.888 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 285 | LEU | 0 | -0.021 | -0.008 | 35.944 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 286 | PHE | 0 | -0.015 | -0.017 | 38.339 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 287 | LEU | 0 | -0.021 | -0.035 | 35.414 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 288 | GLY | 0 | 0.028 | 0.015 | 40.045 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 289 | TYR | 0 | -0.030 | -0.015 | 43.283 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 290 | THR | 0 | -0.003 | 0.001 | 45.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 291 | PRO | 0 | 0.001 | 0.006 | 46.178 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 292 | ALA | 0 | -0.020 | -0.002 | 48.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 293 | VAL | 0 | 0.043 | 0.024 | 50.187 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 294 | ALA | 0 | 0.030 | 0.004 | 48.415 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 295 | ARG | 1 | 0.880 | 0.937 | 47.093 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 296 | ASP | -1 | -0.854 | -0.917 | 47.485 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 297 | GLU | -1 | -0.797 | -0.879 | 47.363 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 298 | ASN | 0 | -0.032 | -0.021 | 42.086 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 299 | VAL | 0 | -0.003 | -0.010 | 42.303 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 300 | TRP | 0 | 0.017 | 0.008 | 42.556 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 301 | PHE | 0 | -0.047 | -0.030 | 42.431 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 302 | ALA | 0 | -0.003 | 0.015 | 40.628 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 303 | SER | 0 | -0.074 | -0.047 | 42.315 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 304 | SER | 0 | -0.036 | -0.046 | 40.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 305 | LEU | 0 | 0.021 | -0.011 | 33.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 306 | ASP | -1 | -0.850 | -0.928 | 36.531 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 307 | GLU | -1 | -0.786 | -0.860 | 37.571 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 308 | ALA | 0 | -0.008 | -0.027 | 37.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 309 | ALA | 0 | 0.046 | 0.028 | 34.648 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 310 | ARG | 1 | 0.972 | 0.993 | 36.115 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 311 | LEU | 0 | -0.060 | -0.036 | 39.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 312 | ALA | 0 | 0.040 | 0.018 | 35.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 313 | CYS | 0 | -0.002 | 0.002 | 34.362 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 314 | LEU | 0 | -0.031 | 0.005 | 36.947 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 315 | LEU | 0 | 0.006 | -0.001 | 39.206 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 316 | SER | 0 | -0.045 | -0.029 | 34.552 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 317 | ARG | 1 | 0.883 | 0.915 | 37.293 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 318 | VAL | 0 | -0.047 | -0.019 | 39.211 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 319 | THR | 0 | -0.015 | -0.034 | 38.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 320 | ALA | 0 | 0.033 | 0.032 | 36.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 321 | ARG | 1 | 0.906 | 0.960 | 38.408 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 322 | ARG | 1 | 0.878 | 0.936 | 41.552 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 323 | ASN | 0 | -0.031 | -0.045 | 38.023 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 324 | ALA | 0 | -0.038 | -0.004 | 39.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 325 | ILE | 0 | -0.067 | -0.037 | 40.968 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 326 | ALA | 0 | -0.022 | 0.000 | 43.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 327 | PRO | 0 | -0.012 | 0.017 | 44.920 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 328 | VAL | 0 | 0.033 | -0.015 | 48.286 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 329 | SER | 0 | -0.073 | -0.049 | 50.418 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 330 | SER | 0 | 0.066 | 0.029 | 54.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 331 | GLY | 0 | -0.057 | -0.034 | 55.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 332 | PHE | 0 | -0.028 | -0.019 | 57.433 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 333 | ILE | 0 | 0.030 | 0.008 | 54.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 334 | CYS | 0 | -0.019 | -0.001 | 57.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 335 | GLY | 0 | 0.019 | 0.012 | 58.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 336 | LEU | 0 | -0.004 | 0.015 | 59.777 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 337 | TYR | 0 | 0.018 | 0.008 | 55.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 338 | THR | 0 | -0.056 | -0.036 | 61.400 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 339 | GLY | 0 | 0.056 | 0.017 | 61.843 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 340 | GLY | 0 | 0.074 | 0.045 | 62.204 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 341 | THR | 0 | -0.009 | -0.020 | 60.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 342 | LEU | 0 | -0.021 | -0.004 | 56.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 343 | ALA | 0 | 0.026 | 0.016 | 58.592 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 344 | ALA | 0 | 0.038 | 0.011 | 60.535 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 345 | GLU | -1 | -0.928 | -0.968 | 54.189 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 346 | ALA | 0 | -0.018 | -0.017 | 55.676 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 347 | ALA | 0 | 0.010 | 0.011 | 56.735 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 348 | GLY | 0 | 0.049 | 0.025 | 58.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 349 | LEU | 0 | -0.071 | -0.043 | 51.791 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 350 | LEU | 0 | -0.020 | -0.018 | 54.119 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 351 | ALA | 0 | 0.024 | 0.019 | 55.430 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 352 | GLY | 0 | 0.033 | 0.027 | 54.880 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 353 | HIS | 0 | -0.113 | -0.070 | 49.873 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 354 | LEU | 0 | -0.037 | -0.022 | 52.772 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 355 | GLY | 0 | -0.037 | 0.006 | 55.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 356 | VAL | 0 | -0.031 | -0.020 | 56.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 357 | GLU | -1 | -0.953 | -0.987 | 60.055 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 358 | ALA | 0 | -0.038 | -0.015 | 59.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 359 | ASP | -1 | -0.899 | -0.944 | 61.579 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 360 | ASP | -1 | -0.908 | -0.952 | 64.668 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 361 | THR | 0 | -0.131 | -0.060 | 67.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 362 | HIS | 0 | -0.008 | -0.016 | 65.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 363 | GLN | 0 | -0.038 | -0.034 | 69.601 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 364 | HIS | 0 | -0.016 | -0.010 | 71.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 365 | GLY | 0 | 0.107 | 0.063 | 68.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 366 | MET | 0 | -0.103 | -0.027 | 66.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 367 | MET | 0 | 0.000 | 0.004 | 63.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 368 | LEU | 0 | 0.004 | -0.008 | 59.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 369 | ASP | -1 | -0.854 | -0.934 | 63.756 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 370 | ALA | 0 | 0.033 | 0.029 | 61.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 371 | ASP | -1 | -0.919 | -0.956 | 60.832 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 372 | SER | 0 | -0.062 | -0.043 | 61.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 373 | HIS | 0 | -0.004 | 0.014 | 57.485 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 374 | GLN | 0 | -0.036 | -0.039 | 61.053 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 375 | ILE | 0 | -0.055 | -0.017 | 57.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 376 | ILE | 0 | -0.021 | -0.024 | 61.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 377 | ASP | -1 | -0.809 | -0.908 | 63.870 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 378 | LEU | 0 | -0.077 | -0.049 | 64.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 379 | GLY | 0 | -0.018 | -0.024 | 67.171 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 380 | ASP | -1 | -0.838 | -0.920 | 68.622 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 381 | ASP | -1 | -0.883 | -0.946 | 71.078 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 382 | PHE | 0 | -0.111 | -0.050 | 72.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 383 | TYR | 0 | -0.032 | -0.018 | 69.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 384 | THR | 0 | -0.011 | -0.008 | 71.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 385 | VAL | 0 | 0.015 | 0.023 | 74.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 386 | GLY | 0 | -0.061 | -0.035 | 77.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 387 | ARG | 1 | 0.836 | 0.914 | 72.592 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 388 | PRO | 0 | 0.003 | 0.003 | 72.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 389 | HIS | 0 | 0.086 | 0.051 | 66.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 390 | PRO | 0 | 0.060 | 0.028 | 65.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 391 | MET | 0 | -0.059 | -0.025 | 62.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 392 | ILE | 0 | -0.070 | -0.033 | 65.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 393 | ASP | -1 | -0.848 | -0.900 | 67.809 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 394 | PRO | 0 | 0.006 | 0.006 | 64.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 395 | THR | 0 | -0.045 | -0.050 | 66.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 396 | LEU | 0 | -0.010 | 0.003 | 68.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 397 | ARG | 1 | 0.806 | 0.884 | 59.502 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 398 | ASN | 0 | 0.034 | -0.001 | 62.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 399 | GLN | 0 | -0.070 | -0.025 | 64.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 400 | LEU | 0 | -0.004 | -0.008 | 65.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 401 | ILE | 0 | -0.016 | -0.001 | 60.101 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 402 | ALA | 0 | 0.005 | 0.004 | 62.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 403 | ASP | -1 | -0.833 | -0.922 | 64.296 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 404 | LEU | 0 | -0.041 | -0.008 | 60.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 405 | GLY | 0 | 0.014 | 0.012 | 62.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 406 | ALA | 0 | -0.071 | -0.031 | 63.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 407 | LYS | 1 | 0.896 | 0.949 | 64.196 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 408 | PRO | 0 | 0.046 | 0.024 | 61.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 409 | GLN | 0 | 0.077 | 0.050 | 60.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 410 | VAL | 0 | -0.017 | -0.004 | 59.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 411 | ARG | 1 | 0.797 | 0.906 | 53.738 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 412 | VAL | 0 | -0.015 | -0.007 | 52.682 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 413 | LEU | 0 | 0.004 | 0.013 | 55.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 414 | LEU | 0 | -0.026 | -0.017 | 52.737 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 415 | LEU | 0 | 0.003 | -0.013 | 55.055 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 416 | ASP | -1 | -0.714 | -0.844 | 55.050 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 417 | VAL | 0 | 0.018 | -0.001 | 55.178 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 418 | VAL | 0 | 0.015 | 0.009 | 56.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 419 | ILE | 0 | -0.042 | -0.007 | 54.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 420 | GLY | 0 | 0.039 | 0.020 | 58.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 421 | PHE | 0 | -0.042 | -0.043 | 60.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 422 | GLY | 0 | -0.015 | -0.006 | 63.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 423 | ALA | 0 | 0.031 | 0.041 | 62.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 424 | THR | 0 | -0.013 | -0.010 | 62.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 425 | ALA | 0 | 0.006 | -0.002 | 62.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 426 | ASP | -1 | -0.840 | -0.920 | 57.919 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 427 | PRO | 0 | -0.015 | -0.004 | 58.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 428 | ALA | 0 | 0.065 | 0.037 | 54.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 429 | ALA | 0 | 0.074 | 0.047 | 56.784 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 430 | SER | 0 | -0.073 | -0.036 | 58.231 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 431 | LEU | 0 | 0.028 | 0.010 | 57.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 432 | VAL | 0 | 0.004 | 0.001 | 54.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 433 | SER | 0 | -0.034 | -0.013 | 57.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 434 | ALA | 0 | -0.044 | -0.023 | 60.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 435 | TRP | 0 | 0.032 | 0.000 | 51.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 436 | GLN | 0 | 0.034 | 0.019 | 54.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 437 | LYS | 1 | 0.919 | 0.963 | 58.424 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 438 | ALA | 0 | 0.014 | 0.013 | 60.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 439 | CYS | 0 | -0.033 | -0.026 | 56.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 440 | ALA | 0 | -0.048 | -0.016 | 58.385 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 441 | ALA | 0 | -0.055 | -0.020 | 60.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 442 | ARG | 1 | 0.727 | 0.880 | 58.543 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 443 | LEU | 0 | 0.009 | 0.007 | 59.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 444 | ASP | -1 | -0.838 | -0.919 | 54.439 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 445 | ASN | 0 | -0.034 | -0.017 | 54.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 446 | GLN | 0 | -0.087 | -0.051 | 56.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 447 | PRO | 0 | 0.094 | 0.064 | 52.612 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 448 | LEU | 0 | 0.003 | -0.004 | 55.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 449 | TYR | 0 | 0.058 | 0.021 | 49.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 450 | ALA | 0 | 0.022 | 0.022 | 51.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 451 | ILE | 0 | -0.006 | -0.003 | 49.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 452 | ALA | 0 | 0.014 | 0.003 | 50.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 453 | THR | 0 | -0.007 | 0.014 | 50.276 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 454 | VAL | 0 | 0.041 | 0.011 | 51.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 455 | THR | 0 | -0.013 | 0.005 | 52.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 456 | GLY | 0 | 0.068 | 0.020 | 53.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 457 | THR | 0 | -0.067 | -0.055 | 52.433 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 458 | GLU | -1 | -0.732 | -0.847 | 48.931 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 459 | ARG | 1 | 0.879 | 0.938 | 51.720 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 460 | ASP | -1 | -0.764 | -0.848 | 54.791 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 461 | PRO | 0 | -0.061 | -0.041 | 56.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 462 | GLN | 0 | 0.035 | -0.001 | 57.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 463 | CYS | 0 | -0.097 | -0.010 | 52.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 464 | ARG | 1 | 0.861 | 0.902 | 48.248 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 465 | SER | 0 | -0.021 | -0.055 | 47.289 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 466 | GLN | 0 | 0.015 | -0.002 | 48.924 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 467 | GLN | 0 | -0.028 | -0.018 | 51.241 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 468 | ILE | 0 | 0.005 | -0.012 | 46.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 469 | ALA | 0 | 0.023 | 0.019 | 47.438 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 470 | THR | 0 | -0.008 | 0.001 | 48.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 471 | LEU | 0 | -0.057 | -0.029 | 50.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 472 | GLU | -1 | -0.858 | -0.949 | 44.327 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 473 | ASP | -1 | -0.926 | -0.944 | 46.718 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 474 | ALA | 0 | -0.097 | -0.050 | 48.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 475 | GLY | 0 | -0.012 | -0.013 | 47.954 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 476 | ILE | 0 | -0.086 | -0.035 | 49.039 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 477 | ALA | 0 | -0.001 | -0.001 | 46.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 478 | VAL | 0 | -0.014 | 0.000 | 46.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 479 | VAL | 0 | -0.005 | 0.006 | 44.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 480 | SER | 0 | -0.022 | -0.025 | 43.962 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 481 | SER | 0 | -0.022 | -0.009 | 46.564 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 482 | LEU | 0 | 0.090 | 0.045 | 48.886 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 483 | PRO | 0 | 0.017 | 0.012 | 47.792 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 484 | GLU | -1 | -0.840 | -0.906 | 43.119 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 485 | ALA | 0 | 0.019 | 0.005 | 46.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 486 | THR | 0 | 0.022 | -0.006 | 49.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 487 | LEU | 0 | -0.017 | 0.011 | 45.015 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 488 | LEU | 0 | 0.006 | -0.011 | 44.890 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 489 | ALA | 0 | -0.007 | -0.012 | 47.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 490 | ALA | 0 | 0.019 | -0.003 | 50.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 491 | ALA | 0 | -0.035 | -0.010 | 46.128 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 492 | LEU | 0 | -0.029 | -0.024 | 46.784 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 493 | ILE | 0 | -0.031 | 0.008 | 49.495 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 494 | HIS | 0 | -0.024 | -0.003 | 50.025 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 495 | PRO | 0 | -0.027 | 0.006 | 49.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 496 | LEU | 0 | -0.008 | 0.007 | 43.074 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 497 | SER | 0 | 0.014 | 0.005 | 44.834 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 498 | PRO | 0 | -0.037 | -0.022 | 44.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 499 | ALA | 0 | -0.017 | -0.015 | 39.855 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 500 | ALA | 0 | 0.027 | 0.027 | 37.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 501 | GLN | 0 | -0.032 | -0.024 | 36.822 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 502 | GLN | 0 | -0.040 | -0.023 | 28.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 503 | HIS | 0 | -0.045 | -0.033 | 32.688 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 504 | THR | 0 | -0.025 | -0.010 | 28.371 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 505 | PRO | 0 | 0.032 | 0.015 | 27.733 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 506 | SER | 0 | 0.079 | 0.034 | 24.743 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 507 | LEU | 0 | -0.077 | -0.037 | 21.396 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 508 | LEU | 0 | -0.034 | -0.027 | 22.251 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 509 | GLU | -1 | -0.858 | -0.884 | 23.216 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 510 | ASN | 0 | -0.020 | -0.016 | 18.455 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 511 | VAL | 0 | 0.018 | 0.013 | 16.728 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 512 | ALA | 0 | 0.011 | 0.027 | 14.427 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 513 | VAL | 0 | 0.017 | 0.013 | 13.509 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 514 | ILE | 0 | 0.016 | 0.008 | 13.029 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 515 | ASN | 0 | -0.055 | -0.052 | 12.577 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 516 | ILE | 0 | 0.013 | 0.007 | 14.260 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 517 | GLY | 0 | 0.012 | 0.014 | 16.455 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 518 | LEU | 0 | 0.008 | 0.005 | 15.954 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 519 | ARG | 1 | 0.930 | 0.951 | 6.567 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 520 | SER | 0 | 0.016 | 0.003 | 11.056 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 521 | PHE | 0 | 0.071 | 0.035 | 12.085 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 522 | ALA | 0 | 0.057 | 0.026 | 9.480 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 523 | LEU | 0 | -0.065 | -0.040 | 6.520 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 524 | GLH | 0 | -0.030 | -0.031 | 8.194 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 525 | LEU | 0 | 0.026 | 0.013 | 10.296 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 526 | GLN | 0 | -0.003 | -0.006 | 2.314 | -4.943 | -3.415 | 1.843 | -1.571 | -1.800 | -0.021 |
427 | A | 527 | SER | 0 | -0.028 | -0.009 | 6.620 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 528 | ALA | 0 | -0.036 | -0.006 | 8.628 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 529 | SER | 0 | -0.051 | -0.028 | 7.683 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 530 | LYS | 1 | 0.928 | 0.969 | 8.739 | 0.614 | 0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 531 | PRO | 0 | -0.007 | -0.002 | 9.247 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 532 | VAL | 0 | 0.012 | 0.006 | 8.630 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 533 | VAL | 0 | -0.046 | -0.005 | 8.427 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 534 | HIS | 0 | -0.022 | -0.009 | 9.247 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 535 | TYR | 0 | 0.016 | -0.009 | 10.842 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 536 | GLN | 0 | -0.023 | -0.011 | 10.906 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 537 | TRP | 0 | 0.086 | 0.034 | 14.603 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 538 | SER | 0 | -0.028 | -0.019 | 18.356 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 539 | PRO | 0 | 0.042 | 0.042 | 21.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 540 | VAL | 0 | -0.053 | -0.020 | 23.954 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 541 | ALA | 0 | 0.025 | 0.005 | 23.663 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 542 | GLY | 0 | 0.056 | 0.017 | 21.888 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 543 | GLY | 0 | -0.017 | -0.012 | 22.659 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 544 | ASN | 0 | -0.022 | 0.001 | 25.217 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 545 | LYS | 1 | 1.025 | 0.992 | 23.030 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 546 | LYS | 1 | 0.952 | 0.987 | 26.043 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 547 | LEU | 0 | 0.053 | 0.024 | 28.429 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 548 | ALA | 0 | 0.045 | 0.033 | 23.001 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 549 | ARG | 1 | 0.905 | 0.942 | 22.884 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 550 | LEU | 0 | -0.061 | -0.031 | 25.897 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 551 | LEU | 0 | 0.038 | 0.002 | 25.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 552 | GLU | -1 | -0.868 | -0.921 | 21.608 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 553 | ARG | 1 | 0.905 | 0.953 | 24.485 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 554 | LEU | 0 | -0.066 | -0.037 | 27.357 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 555 | GLN | 0 | 0.001 | 0.030 | 24.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |