![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 3949L
Calculation Name: 4MHC-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4MHC
Chain ID: A
UniProt ID: P40064
Base Structure: X-ray
Registration Date: 2023-06-26
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 | 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 | 676 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15690945.04848 |
---|---|
FMO2-HF: Nuclear repulsion | 15428478.781393 |
FMO2-HF: Total energy | -262466.267087 |
FMO2-MP2: Total energy | -263241.416415 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F028063/ligand_interaction/ligand_F028063.png)
Ligand Interaction
![ligand interaction](./Kdata/F028063/ligand_interaction/ligand_interaction_F028063.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:88:SER)
Summations of interaction energy for
fragment #1(A:88:SER)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
1.059 | 2.904 | 0.007 | -0.604 | -1.246 | 0.001 |
Interaction energy analysis for fragmet #1(A:88:SER)
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 | 90 | PRO | 0 | -0.023 | -0.012 | 3.861 | 0.060 | 1.173 | -0.009 | -0.468 | -0.635 | 0.001 |
4 | A | 91 | LEU | 0 | 0.026 | 0.011 | 6.305 | 0.449 | 0.449 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 92 | GLN | 0 | -0.014 | -0.008 | 4.573 | 0.168 | 0.261 | -0.001 | -0.005 | -0.086 | 0.000 |
6 | A | 93 | LEU | 0 | 0.020 | 0.013 | 3.170 | -0.113 | 0.401 | 0.019 | -0.129 | -0.405 | 0.000 |
7 | A | 94 | ALA | 0 | -0.021 | -0.016 | 4.928 | 0.582 | 0.634 | -0.001 | -0.002 | -0.048 | 0.000 |
8 | A | 95 | SER | 0 | 0.022 | 0.003 | 8.438 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 96 | GLU | -1 | -0.870 | -0.922 | 5.109 | -1.164 | -1.091 | -0.001 | 0.000 | -0.072 | 0.000 |
10 | A | 97 | PHE | 0 | -0.014 | -0.020 | 7.924 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 98 | VAL | 0 | 0.015 | 0.014 | 10.748 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 99 | GLN | 0 | -0.015 | -0.006 | 11.745 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 100 | ASP | -1 | -0.790 | -0.847 | 12.529 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 101 | LEU | 0 | -0.010 | -0.011 | 14.247 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 102 | SER | 0 | 0.000 | -0.003 | 16.511 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 103 | PHE | 0 | -0.037 | -0.018 | 17.374 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 104 | ARG | 1 | 0.806 | 0.860 | 15.364 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 105 | ASP | -1 | -0.718 | -0.834 | 20.460 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 106 | ARG | 1 | 0.917 | 0.958 | 18.499 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 107 | ASN | 0 | -0.096 | -0.053 | 21.958 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 108 | THR | 0 | 0.021 | 0.022 | 24.801 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 109 | PRO | 0 | -0.012 | -0.013 | 27.102 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 110 | ILE | 0 | 0.013 | 0.023 | 30.391 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 111 | LEU | 0 | 0.035 | 0.030 | 33.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 112 | ASP | -1 | -0.800 | -0.878 | 35.571 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 113 | ASN | 0 | -0.006 | -0.020 | 36.791 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 114 | PRO | 0 | 0.017 | 0.008 | 39.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 115 | ASP | -1 | -0.855 | -0.916 | 39.076 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 116 | TYR | 0 | -0.092 | -0.061 | 34.410 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 117 | TYR | 0 | -0.005 | -0.017 | 40.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 118 | SER | 0 | -0.035 | -0.002 | 43.365 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 119 | LYS | 1 | 0.910 | 0.950 | 45.636 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 120 | GLY | 0 | -0.052 | -0.037 | 47.059 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 121 | LEU | 0 | -0.006 | 0.007 | 43.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 122 | ASP | -1 | -0.826 | -0.895 | 41.607 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 123 | TYR | 0 | -0.034 | -0.045 | 43.452 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 124 | ASN | 0 | -0.005 | 0.004 | 41.276 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 125 | PHE | 0 | 0.015 | -0.009 | 44.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 126 | SER | 0 | 0.047 | 0.025 | 47.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 127 | ASP | -1 | -0.833 | -0.892 | 50.490 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 128 | GLU | -1 | -0.901 | -0.950 | 52.314 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 129 | VAL | 0 | 0.004 | 0.002 | 51.104 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 130 | GLY | 0 | 0.027 | 0.019 | 47.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 131 | GLY | 0 | -0.010 | -0.008 | 47.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 132 | LEU | 0 | -0.054 | -0.017 | 43.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 133 | GLY | 0 | -0.002 | 0.003 | 43.513 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 134 | ALA | 0 | 0.021 | 0.005 | 39.035 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 135 | PHE | 0 | -0.015 | -0.010 | 36.169 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 136 | THR | 0 | -0.012 | -0.008 | 40.477 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 137 | PRO | 0 | -0.011 | 0.000 | 40.396 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 138 | PHE | 0 | 0.016 | -0.008 | 41.016 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 139 | GLN | 0 | 0.006 | -0.003 | 43.652 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 140 | ARG | 1 | 0.805 | 0.899 | 45.933 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 141 | GLN | 0 | -0.004 | -0.011 | 44.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 142 | GLN | 0 | -0.021 | -0.011 | 48.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 143 | VAL | 0 | 0.009 | -0.004 | 51.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 144 | THR | 0 | 0.011 | 0.022 | 53.458 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 145 | ASN | 0 | 0.001 | -0.017 | 56.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 146 | ILE | 0 | 0.008 | 0.008 | 59.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 147 | PRO | 0 | 0.018 | 0.028 | 60.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 148 | ASP | -1 | -0.855 | -0.935 | 62.783 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 149 | GLU | -1 | -0.917 | -0.952 | 63.749 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 150 | VAL | 0 | -0.013 | -0.005 | 62.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 151 | LEU | 0 | -0.003 | -0.007 | 65.242 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 152 | SER | 0 | -0.022 | -0.027 | 67.503 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 153 | GLN | 0 | -0.053 | -0.032 | 68.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 154 | VAL | 0 | -0.056 | -0.030 | 66.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 155 | SER | 0 | -0.044 | -0.014 | 70.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 156 | ASN | 0 | -0.062 | -0.012 | 73.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 157 | THR | 0 | 0.026 | -0.013 | 71.566 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 158 | GLU | -1 | -0.949 | -0.972 | 74.416 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 159 | ILE | 0 | -0.095 | -0.043 | 73.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 160 | LYS | 1 | 0.774 | 0.866 | 65.578 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 161 | SER | 0 | 0.022 | 0.012 | 67.569 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 162 | ASP | -1 | -0.844 | -0.908 | 63.332 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 163 | MET | 0 | -0.018 | -0.008 | 60.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 164 | GLY | 0 | 0.033 | 0.004 | 57.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 165 | ILE | 0 | -0.029 | -0.013 | 51.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 166 | PHE | 0 | 0.005 | 0.004 | 52.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 167 | LEU | 0 | 0.030 | 0.006 | 45.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 168 | GLU | -1 | -0.881 | -0.954 | 47.125 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 169 | LEU | 0 | -0.026 | -0.016 | 48.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 170 | ASN | 0 | -0.031 | -0.016 | 45.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 171 | TYR | 0 | -0.009 | -0.033 | 49.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 172 | CYS | 0 | -0.024 | 0.000 | 53.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 173 | TRP | 0 | -0.017 | 0.004 | 56.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 174 | ILE | 0 | 0.017 | 0.004 | 59.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 175 | THR | 0 | -0.005 | -0.017 | 62.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 176 | SER | 0 | 0.037 | 0.030 | 65.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 177 | ASP | -1 | -0.741 | -0.866 | 69.523 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 178 | ASN | 0 | -0.035 | -0.013 | 70.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 179 | LYS | 1 | 0.872 | 0.944 | 69.235 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 180 | LEU | 0 | 0.008 | -0.010 | 61.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 181 | ILE | 0 | 0.004 | 0.005 | 62.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 182 | LEU | 0 | -0.004 | -0.005 | 56.766 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 183 | TRP | 0 | 0.053 | 0.009 | 56.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 184 | ASN | 0 | 0.007 | 0.014 | 51.844 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 185 | ILE | 0 | 0.025 | 0.003 | 50.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 186 | ASN | 0 | -0.092 | -0.049 | 48.238 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 187 | ASN | 0 | 0.001 | 0.008 | 51.336 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 188 | SER | 0 | -0.054 | -0.024 | 54.796 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 189 | SER | 0 | 0.032 | 0.016 | 57.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 190 | GLU | -1 | -0.791 | -0.858 | 55.075 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 191 | TYR | 0 | -0.049 | -0.051 | 58.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 192 | HIS | 0 | -0.025 | -0.017 | 57.644 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 193 | CYS | 0 | -0.016 | 0.017 | 61.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 194 | ILE | 0 | -0.022 | -0.021 | 61.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 195 | ASP | -1 | -0.865 | -0.944 | 65.493 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 196 | GLU | -1 | -0.933 | -0.949 | 66.096 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 197 | ILE | 0 | -0.056 | -0.029 | 65.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 198 | GLU | -1 | -0.897 | -0.930 | 70.546 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 199 | HIS | 0 | -0.013 | -0.016 | 72.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 200 | THR | 0 | -0.017 | -0.023 | 71.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 201 | ILE | 0 | 0.029 | 0.013 | 65.266 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 202 | LEU | 0 | -0.071 | -0.017 | 67.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 203 | LYS | 1 | 0.858 | 0.919 | 60.506 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 204 | VAL | 0 | 0.053 | 0.034 | 59.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 205 | LYS | 1 | 0.799 | 0.895 | 51.267 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 206 | LEU | 0 | 0.060 | 0.048 | 51.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 207 | VAL | 0 | -0.042 | -0.017 | 52.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 208 | LYS | 1 | 0.895 | 0.944 | 45.954 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 209 | PRO | 0 | 0.017 | 0.014 | 49.749 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 210 | SER | 0 | 0.024 | 0.017 | 50.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 211 | PRO | 0 | 0.022 | 0.016 | 48.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 212 | ASN | 0 | -0.051 | -0.005 | 50.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 213 | THR | 0 | -0.007 | -0.010 | 53.557 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 214 | PHE | 0 | 0.003 | -0.005 | 54.902 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 215 | VAL | 0 | 0.038 | 0.018 | 55.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 216 | SER | 0 | -0.029 | -0.037 | 50.721 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 217 | SER | 0 | -0.030 | -0.004 | 49.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 218 | VAL | 0 | -0.057 | -0.005 | 49.481 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 219 | GLU | -1 | -0.853 | -0.918 | 45.260 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 220 | ASN | 0 | -0.007 | -0.008 | 48.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 221 | LEU | 0 | 0.015 | 0.010 | 51.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 222 | LEU | 0 | 0.010 | 0.005 | 54.919 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 223 | ILE | 0 | -0.022 | -0.006 | 57.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 224 | VAL | 0 | 0.053 | 0.012 | 59.863 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 225 | ALA | 0 | 0.008 | 0.009 | 63.152 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 226 | THR | 0 | 0.018 | -0.002 | 65.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 227 | LEU | 0 | -0.006 | -0.009 | 69.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 228 | PHE | 0 | 0.002 | 0.002 | 72.103 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 229 | ASP | -1 | -0.805 | -0.859 | 69.208 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 230 | ILE | 0 | -0.030 | -0.021 | 63.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 231 | TYR | 0 | 0.032 | -0.001 | 65.117 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 232 | ILE | 0 | 0.006 | -0.001 | 59.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 233 | LEU | 0 | 0.021 | 0.039 | 60.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 234 | THR | 0 | -0.006 | -0.017 | 56.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 235 | ILE | 0 | -0.014 | -0.019 | 53.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 236 | SER | 0 | -0.046 | -0.013 | 51.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 237 | PHE | 0 | 0.041 | 0.018 | 49.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 238 | ASN | 0 | -0.003 | 0.003 | 52.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 239 | ASP | -1 | -0.914 | -0.959 | 49.927 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 240 | ARG | 1 | 0.873 | 0.931 | 50.685 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 241 | THR | 0 | 0.003 | -0.006 | 53.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 242 | HIS | 0 | -0.100 | -0.046 | 48.652 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 243 | GLU | -1 | -0.852 | -0.903 | 52.499 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 244 | LEU | 0 | -0.029 | -0.014 | 53.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 245 | ASN | 0 | -0.012 | -0.002 | 54.752 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 246 | ILE | 0 | 0.018 | -0.008 | 56.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 247 | PHE | 0 | 0.013 | 0.014 | 57.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 248 | ASN | 0 | -0.001 | -0.007 | 60.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 249 | THR | 0 | -0.032 | -0.035 | 59.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 250 | GLY | 0 | -0.014 | -0.003 | 62.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 251 | LEU | 0 | -0.088 | -0.041 | 60.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 252 | LYS | 1 | 0.861 | 0.910 | 65.050 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 253 | VAL | 0 | -0.023 | -0.011 | 64.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 254 | ASN | 0 | 0.016 | 0.017 | 68.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 255 | VAL | 0 | 0.003 | -0.008 | 67.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 256 | THR | 0 | -0.001 | -0.015 | 70.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 257 | GLY | 0 | -0.010 | 0.010 | 73.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 258 | PHE | 0 | -0.025 | -0.008 | 67.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 259 | ASN | 0 | 0.000 | -0.016 | 70.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 260 | VAL | 0 | 0.042 | 0.019 | 64.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 261 | SER | 0 | 0.041 | 0.027 | 65.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 262 | ASN | 0 | -0.086 | -0.048 | 59.583 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 263 | ILE | 0 | 0.069 | 0.026 | 57.775 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 264 | ILE | 0 | -0.043 | 0.001 | 52.068 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 265 | SER | 0 | 0.076 | 0.031 | 51.090 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 266 | TYR | 0 | -0.020 | 0.014 | 46.254 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 267 | GLU | -1 | -0.874 | -0.958 | 45.813 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 268 | ARG | 1 | 0.805 | 0.903 | 41.138 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 269 | THR | 0 | -0.051 | -0.058 | 46.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 270 | GLY | 0 | 0.064 | 0.046 | 49.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 271 | GLN | 0 | -0.053 | -0.006 | 51.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 272 | ILE | 0 | 0.028 | 0.017 | 53.786 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 273 | PHE | 0 | -0.007 | -0.009 | 53.544 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 274 | PHE | 0 | -0.012 | -0.017 | 58.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 275 | THR | 0 | 0.025 | -0.002 | 60.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 276 | GLY | 0 | 0.044 | 0.023 | 63.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 277 | ALA | 0 | -0.040 | -0.023 | 67.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 278 | THR | 0 | -0.034 | -0.016 | 69.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 279 | ASP | -1 | -0.801 | -0.878 | 68.825 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 280 | GLY | 0 | 0.037 | 0.015 | 68.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 281 | VAL | 0 | -0.076 | -0.053 | 64.179 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 282 | ASN | 0 | -0.039 | -0.015 | 64.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 283 | VAL | 0 | -0.030 | -0.006 | 58.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 284 | TRP | 0 | -0.029 | -0.022 | 62.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 285 | GLU | -1 | -0.827 | -0.913 | 56.955 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 286 | LEU | 0 | -0.015 | -0.006 | 59.793 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 287 | GLN | 0 | -0.011 | 0.003 | 59.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 288 | TYR | 0 | -0.005 | -0.026 | 54.700 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 289 | ASN | 0 | -0.030 | -0.022 | 57.493 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 301 | LYN | 0 | -0.001 | 0.002 | 64.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 302 | ILE | 0 | -0.007 | -0.005 | 65.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 303 | CYS | 0 | 0.020 | 0.016 | 64.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 304 | LEU | 0 | -0.012 | -0.008 | 63.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 305 | THR | 0 | -0.008 | -0.004 | 63.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 306 | LYN | 0 | -0.013 | 0.010 | 58.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 307 | SER | 0 | -0.023 | -0.017 | 61.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 308 | ASN | 0 | 0.008 | 0.007 | 63.898 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 309 | LEU | 0 | -0.018 | 0.005 | 67.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 339 | GLU | -1 | -0.840 | -0.937 | 65.530 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 340 | GLU | -1 | -0.849 | -0.912 | 66.679 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 341 | THR | 0 | 0.052 | 0.022 | 66.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 342 | ILE | 0 | -0.062 | -0.020 | 60.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 343 | SER | 0 | -0.104 | -0.051 | 61.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 344 | GLN | 0 | 0.023 | 0.006 | 53.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 345 | LEU | 0 | 0.008 | 0.005 | 56.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 346 | GLU | -1 | -0.738 | -0.865 | 48.551 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 347 | VAL | 0 | -0.021 | -0.015 | 48.725 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 348 | ASP | -1 | -0.726 | -0.805 | 44.177 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 349 | GLN | 0 | 0.069 | 0.016 | 44.000 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 350 | SER | 0 | -0.075 | -0.040 | 40.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 351 | ARG | 1 | 0.811 | 0.857 | 41.628 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 352 | GLY | 0 | -0.006 | 0.012 | 44.077 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 353 | VAL | 0 | -0.053 | -0.032 | 47.420 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 354 | LEU | 0 | 0.035 | 0.037 | 49.687 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 355 | HIS | 0 | -0.033 | -0.040 | 49.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 356 | THR | 0 | 0.006 | -0.006 | 53.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 357 | LEU | 0 | 0.047 | 0.019 | 57.239 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 358 | SER | 0 | 0.025 | 0.004 | 59.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 359 | THR | 0 | 0.037 | 0.007 | 62.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 360 | LYS | 1 | 0.773 | 0.887 | 65.106 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 361 | SER | 0 | -0.040 | -0.011 | 61.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 362 | ILE | 0 | -0.049 | -0.009 | 60.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 363 | VAL | 0 | 0.038 | 0.027 | 54.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 364 | ARG | 1 | 0.831 | 0.897 | 58.029 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 365 | SER | 0 | 0.041 | 0.027 | 52.966 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 366 | TYR | 0 | 0.026 | 0.006 | 54.106 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 367 | LEU | 0 | -0.011 | 0.009 | 48.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 368 | ILE | 0 | 0.008 | 0.008 | 50.473 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 369 | THR | 0 | -0.066 | -0.050 | 50.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 370 | SER | 0 | 0.030 | -0.007 | 52.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 371 | ASN | 0 | -0.058 | -0.019 | 53.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 372 | GLY | 0 | 0.077 | 0.045 | 56.303 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 373 | LEU | 0 | -0.026 | -0.002 | 55.598 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 374 | VAL | 0 | -0.051 | -0.022 | 54.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 375 | GLY | 0 | -0.006 | 0.000 | 55.418 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 376 | PRO | 0 | -0.014 | 0.014 | 57.854 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 377 | VAL | 0 | -0.027 | -0.023 | 53.588 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 378 | LEU | 0 | -0.009 | -0.020 | 56.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 379 | ILE | 0 | -0.033 | 0.000 | 52.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 380 | ASP | -1 | -0.710 | -0.852 | 57.390 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 381 | ALA | 0 | 0.068 | 0.018 | 59.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 382 | ALA | 0 | -0.040 | -0.022 | 61.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 383 | HIS | 0 | -0.079 | -0.033 | 54.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 384 | ILE | 0 | 0.093 | 0.054 | 55.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 385 | ARG | 1 | 0.850 | 0.923 | 56.891 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 386 | ARG | 1 | 0.839 | 0.920 | 58.210 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 387 | GLY | 0 | 0.036 | 0.023 | 54.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 388 | MET | 0 | 0.005 | -0.001 | 53.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 389 | ASN | 0 | -0.044 | -0.038 | 55.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 390 | ALA | 0 | -0.017 | 0.007 | 53.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 391 | LEU | 0 | 0.026 | 0.019 | 48.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 392 | GLY | 0 | 0.010 | 0.018 | 51.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 393 | VAL | 0 | 0.001 | 0.012 | 51.809 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 394 | LYS | 1 | 0.915 | 0.946 | 54.985 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 395 | ASN | 0 | -0.005 | -0.015 | 58.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 396 | SER | 0 | 0.028 | 0.010 | 57.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 397 | PRO | 0 | 0.004 | 0.000 | 59.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 398 | LEU | 0 | 0.024 | 0.021 | 57.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 399 | LEU | 0 | 0.048 | 0.029 | 55.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 400 | SER | 0 | 0.012 | 0.016 | 60.301 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 401 | ASN | 0 | -0.022 | -0.027 | 63.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 402 | ARG | 1 | 0.898 | 0.939 | 66.117 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 403 | ALA | 0 | 0.052 | 0.042 | 63.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 404 | PHE | 0 | -0.048 | -0.021 | 57.938 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 405 | LYS | 1 | 0.978 | 0.998 | 61.512 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 406 | ILE | 0 | -0.026 | -0.009 | 56.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 407 | ALA | 0 | -0.042 | -0.018 | 56.857 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 408 | LYS | 1 | 0.866 | 0.922 | 52.791 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 409 | ILE | 0 | -0.054 | -0.028 | 52.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 410 | VAL | 0 | 0.040 | 0.025 | 46.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 411 | SER | 0 | -0.038 | -0.037 | 46.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 412 | ILE | 0 | -0.010 | -0.003 | 41.143 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 413 | SER | 0 | 0.072 | 0.043 | 38.625 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 414 | MET | 0 | 0.016 | -0.001 | 37.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 415 | CYS | 0 | -0.056 | -0.035 | 34.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 416 | GLU | -1 | -0.799 | -0.862 | 34.366 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 417 | ASN | 0 | -0.027 | -0.044 | 36.212 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 418 | ASN | 0 | 0.015 | 0.008 | 36.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 419 | ASP | -1 | -0.835 | -0.894 | 38.525 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 420 | LEU | 0 | -0.035 | -0.037 | 41.235 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 421 | PHE | 0 | 0.000 | 0.003 | 42.958 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 422 | LEU | 0 | -0.014 | -0.009 | 45.667 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 423 | ALA | 0 | 0.024 | 0.028 | 46.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 424 | VAL | 0 | -0.029 | -0.020 | 48.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 425 | ILE | 0 | 0.047 | 0.031 | 50.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 426 | THR | 0 | 0.005 | -0.015 | 53.550 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 427 | THR | 0 | 0.054 | 0.021 | 56.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 428 | THR | 0 | -0.084 | -0.047 | 58.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 429 | GLY | 0 | 0.075 | 0.037 | 54.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 430 | VAL | 0 | -0.063 | -0.022 | 52.933 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 431 | ARG | 1 | 0.843 | 0.912 | 44.674 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 432 | LEU | 0 | -0.037 | -0.030 | 50.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 433 | TYR | 0 | 0.085 | 0.048 | 43.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 434 | PHE | 0 | 0.000 | -0.025 | 47.738 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 435 | LYS | 1 | 0.863 | 0.938 | 42.948 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 436 | GLY | 0 | -0.005 | -0.013 | 45.952 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 437 | SER | 0 | 0.005 | 0.012 | 45.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 438 | ILE | 0 | 0.044 | 0.017 | 44.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 439 | SER | 0 | -0.033 | -0.025 | 46.266 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 440 | ARG | 1 | 1.015 | 0.986 | 47.914 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 441 | ARG | 1 | 0.959 | 0.990 | 49.070 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 442 | SER | 0 | -0.007 | 0.015 | 51.323 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 443 | ILE | 0 | 0.081 | 0.044 | 50.359 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 444 | GLY | 0 | -0.001 | 0.015 | 50.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 445 | SER | 0 | -0.013 | -0.025 | 51.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 446 | LEU | 0 | 0.086 | 0.059 | 49.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 447 | LYS | 1 | 0.794 | 0.874 | 49.510 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 448 | LEU | 0 | -0.034 | 0.002 | 49.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 449 | ASP | -1 | -0.819 | -0.910 | 43.876 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 450 | SER | 0 | -0.026 | -0.020 | 44.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 451 | VAL | 0 | 0.006 | -0.010 | 47.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 452 | LYS | 1 | 0.801 | 0.909 | 42.068 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 453 | PHE | 0 | 0.005 | 0.002 | 48.653 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 454 | PRO | 0 | 0.048 | 0.032 | 50.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 455 | PRO | 0 | 0.043 | 0.055 | 49.683 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 456 | THR | 0 | -0.047 | -0.014 | 51.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 457 | SER | 0 | 0.047 | 0.036 | 50.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 481 | GLY | 0 | 0.036 | 0.019 | 48.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 482 | PRO | 0 | 0.003 | -0.003 | 47.809 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 483 | LEU | 0 | 0.045 | 0.017 | 50.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 484 | SER | 0 | -0.053 | -0.028 | 51.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 485 | THR | 0 | 0.010 | 0.014 | 54.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 486 | GLN | 0 | 0.066 | 0.012 | 48.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 487 | LYS | 1 | 0.842 | 0.931 | 54.015 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 488 | ALA | 0 | -0.022 | -0.029 | 56.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 489 | SER | 0 | -0.021 | -0.009 | 55.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 490 | SER | 0 | 0.035 | -0.003 | 57.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 491 | THR | 0 | 0.015 | 0.007 | 54.325 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 492 | TYR | 0 | 0.045 | 0.025 | 49.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 493 | ILE | 0 | -0.049 | 0.016 | 56.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 494 | ASN | 0 | -0.034 | -0.029 | 60.299 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 495 | THR | 0 | 0.020 | 0.008 | 54.854 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 496 | THR | 0 | -0.020 | -0.027 | 57.656 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 497 | CYS | 0 | 0.013 | 0.003 | 56.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 498 | ALA | 0 | 0.077 | 0.052 | 55.989 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 499 | SER | 0 | -0.027 | -0.019 | 52.785 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 500 | THR | 0 | -0.012 | -0.004 | 48.038 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 501 | ILE | 0 | -0.027 | -0.018 | 44.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 502 | ILE | 0 | 0.016 | 0.019 | 41.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 503 | SER | 0 | -0.035 | -0.017 | 38.861 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 504 | PRO | 0 | 0.007 | 0.010 | 35.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 505 | GLY | 0 | 0.023 | -0.011 | 38.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 506 | ILE | 0 | -0.034 | 0.008 | 39.310 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 507 | TYR | 0 | -0.031 | -0.028 | 42.587 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 508 | PHE | 0 | 0.080 | 0.027 | 44.730 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 509 | THR | 0 | -0.018 | -0.008 | 49.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 510 | CYS | 0 | 0.074 | 0.058 | 52.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 511 | VAL | 0 | -0.047 | -0.020 | 55.476 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 512 | ARG | 1 | 0.847 | 0.905 | 58.054 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 513 | LYS | 1 | 0.825 | 0.923 | 59.362 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 514 | ARG | 1 | 0.861 | 0.911 | 63.607 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 515 | ALA | 0 | 0.040 | 0.044 | 66.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 535 | GLU | -1 | -0.903 | -0.973 | 61.718 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 536 | HIS | 0 | -0.043 | -0.029 | 60.043 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 537 | LYS | 1 | 0.874 | 0.939 | 56.524 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 538 | LEU | 0 | 0.027 | 0.036 | 50.959 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 539 | TYR | 0 | -0.069 | -0.069 | 50.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 540 | VAL | 0 | 0.016 | 0.008 | 44.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 541 | SER | 0 | -0.019 | -0.025 | 45.272 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 542 | ALA | 0 | 0.044 | 0.018 | 40.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 543 | PRO | 0 | -0.024 | -0.018 | 37.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 544 | ASP | -1 | -0.759 | -0.852 | 34.788 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 545 | TYR | 0 | 0.020 | -0.031 | 32.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 546 | GLY | 0 | 0.025 | 0.023 | 30.472 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 547 | ILE | 0 | -0.021 | -0.019 | 30.700 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 548 | LEU | 0 | -0.065 | -0.017 | 32.370 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 549 | LYS | 1 | 0.782 | 0.872 | 24.365 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 550 | ASN | 0 | -0.071 | -0.019 | 27.375 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 551 | TYR | 0 | -0.083 | -0.056 | 28.683 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 552 | GLY | 0 | -0.014 | 0.008 | 30.789 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 553 | LYS | 1 | 0.768 | 0.872 | 32.056 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 554 | TYR | 0 | 0.003 | -0.027 | 35.483 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 555 | VAL | 0 | 0.010 | -0.003 | 37.791 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 556 | GLU | -1 | -0.748 | -0.812 | 39.549 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 557 | ASN | 0 | 0.025 | 0.026 | 38.251 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 558 | THR | 0 | -0.053 | -0.037 | 42.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 559 | ALA | 0 | 0.026 | 0.013 | 46.109 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 560 | LEU | 0 | -0.018 | 0.002 | 48.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 561 | LEU | 0 | -0.037 | -0.030 | 47.398 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 562 | ASP | -1 | -0.806 | -0.910 | 51.285 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 563 | THR | 0 | -0.040 | -0.026 | 53.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 564 | THR | 0 | 0.009 | 0.001 | 55.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 565 | ASP | -1 | -0.841 | -0.881 | 59.258 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 566 | GLU | -1 | -0.844 | -0.896 | 59.878 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 567 | ILE | 0 | -0.003 | -0.016 | 54.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 568 | LYS | 1 | 0.826 | 0.918 | 58.526 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 569 | GLU | -1 | -0.907 | -0.971 | 53.761 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 570 | ILE | 0 | -0.026 | -0.009 | 49.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 571 | VAL | 0 | 0.004 | 0.007 | 48.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 572 | PRO | 0 | -0.027 | -0.008 | 43.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 573 | LEU | 0 | 0.018 | 0.010 | 45.104 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 574 | THR | 0 | -0.016 | 0.002 | 40.024 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 575 | ARG | 1 | 0.888 | 0.924 | 37.180 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 576 | SER | 0 | -0.017 | -0.015 | 37.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 577 | PHE | 0 | 0.008 | 0.002 | 33.556 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 578 | ASN | 0 | -0.031 | -0.007 | 32.577 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 579 | TYR | 0 | -0.037 | -0.031 | 22.435 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 580 | THR | 0 | -0.019 | -0.003 | 26.464 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 581 | SER | 0 | 0.018 | 0.002 | 29.153 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 582 | THR | 0 | -0.034 | -0.019 | 28.933 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 583 | PRO | 0 | 0.022 | 0.011 | 31.105 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 584 | GLN | 0 | 0.015 | 0.007 | 27.330 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 585 | GLY | 0 | 0.070 | 0.044 | 27.174 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 586 | TYR | 0 | -0.056 | -0.020 | 27.900 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 587 | ALA | 0 | 0.028 | -0.008 | 31.317 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 588 | ASN | 0 | -0.045 | -0.025 | 24.982 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 589 | VAL | 0 | 0.050 | 0.019 | 28.694 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 590 | PHE | 0 | -0.041 | -0.017 | 27.055 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 591 | ALA | 0 | -0.008 | 0.007 | 24.501 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 592 | SER | 0 | -0.007 | -0.030 | 25.921 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 593 | GLN | 0 | -0.023 | -0.025 | 27.237 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 594 | TYR | 0 | -0.036 | -0.017 | 24.740 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 595 | SER | 0 | -0.015 | -0.005 | 27.025 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 596 | ALA | 0 | 0.003 | 0.015 | 29.240 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 597 | GLU | -1 | -0.803 | -0.889 | 32.278 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 598 | PRO | 0 | -0.011 | -0.016 | 35.387 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 599 | LEU | 0 | 0.015 | 0.029 | 37.219 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 600 | LYS | 1 | 0.904 | 0.944 | 39.602 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 601 | VAL | 0 | -0.014 | -0.008 | 43.335 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 602 | ALA | 0 | 0.013 | 0.021 | 46.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 603 | VAL | 0 | 0.004 | -0.015 | 49.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 604 | LEU | 0 | 0.024 | 0.033 | 52.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 605 | THR | 0 | -0.006 | -0.036 | 56.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 606 | SER | 0 | -0.003 | -0.008 | 59.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 607 | ASN | 0 | -0.073 | -0.042 | 61.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 608 | ALA | 0 | 0.021 | 0.009 | 58.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 609 | LEU | 0 | 0.001 | 0.015 | 52.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 610 | GLU | -1 | -0.807 | -0.866 | 52.997 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 611 | ILE | 0 | 0.000 | -0.003 | 46.912 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 612 | TYR | 0 | -0.013 | -0.030 | 46.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 613 | CYS | 0 | -0.029 | -0.005 | 41.739 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 614 | TYR | 0 | 0.032 | -0.004 | 35.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 615 | ARG | 1 | 0.755 | 0.875 | 38.625 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 616 | THR | 0 | -0.005 | -0.023 | 33.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 617 | PRO | 0 | 0.015 | -0.005 | 30.300 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 618 | ASP | -1 | -0.757 | -0.869 | 31.206 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 619 | GLU | -1 | -0.748 | -0.860 | 32.642 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 620 | VAL | 0 | -0.033 | 0.014 | 34.817 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 621 | PHE | 0 | -0.028 | -0.025 | 29.743 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 622 | GLU | -1 | -0.798 | -0.887 | 34.274 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 623 | SER | 0 | -0.059 | -0.043 | 36.565 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 624 | LEU | 0 | -0.051 | -0.031 | 36.117 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 625 | ILE | 0 | -0.031 | -0.002 | 34.130 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 626 | GLU | -1 | -0.834 | -0.902 | 36.141 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 627 | ASN | 0 | -0.048 | -0.037 | 36.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 628 | PRO | 0 | 0.053 | 0.041 | 32.229 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 629 | LEU | 0 | -0.008 | -0.004 | 33.193 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 630 | PRO | 0 | 0.018 | 0.005 | 34.331 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 631 | PHE | 0 | 0.053 | 0.035 | 28.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 632 | ILE | 0 | -0.045 | -0.029 | 28.865 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 633 | HIS | 0 | -0.026 | 0.002 | 30.483 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 634 | SER | 0 | 0.013 | 0.010 | 32.581 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 635 | TYR | 0 | -0.044 | -0.042 | 29.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 636 | GLY | 0 | 0.076 | 0.056 | 26.891 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 637 | LEU | 0 | 0.000 | -0.016 | 24.695 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 638 | SER | 0 | 0.035 | 0.000 | 20.900 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 639 | GLU | -1 | -0.696 | -0.798 | 22.971 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 640 | ALA | 0 | -0.016 | 0.010 | 25.340 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 641 | CYS | 0 | -0.065 | -0.025 | 22.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 642 | SER | 0 | -0.020 | -0.021 | 22.016 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 643 | THR | 0 | -0.027 | -0.014 | 23.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 644 | ALA | 0 | -0.015 | 0.005 | 26.773 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 645 | LEU | 0 | -0.006 | 0.006 | 21.293 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 646 | TYR | 0 | 0.024 | 0.006 | 25.461 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 647 | LEU | 0 | -0.018 | -0.017 | 27.257 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 648 | ALA | 0 | -0.035 | -0.008 | 27.587 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 649 | CYS | 0 | -0.073 | -0.037 | 25.941 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 650 | LYS | 1 | 0.838 | 0.941 | 28.694 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 651 | PHE | 0 | 0.038 | 0.021 | 31.691 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 652 | ASN | 0 | -0.026 | -0.029 | 34.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 653 | LYS | 1 | 0.848 | 0.911 | 35.403 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 654 | SER | 0 | 0.046 | 0.021 | 37.942 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 655 | GLU | -1 | -0.812 | -0.939 | 35.622 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 656 | HIS | 0 | -0.064 | -0.009 | 36.410 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 657 | ILE | 0 | 0.036 | 0.027 | 34.977 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 658 | LYS | 1 | 0.861 | 0.940 | 32.203 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 659 | SER | 0 | -0.027 | -0.041 | 31.674 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 660 | SER | 0 | 0.030 | 0.011 | 32.091 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 661 | ALA | 0 | -0.020 | -0.003 | 30.109 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 662 | LEU | 0 | 0.003 | -0.002 | 26.297 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 663 | ALA | 0 | -0.014 | 0.000 | 27.388 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 664 | PHE | 0 | 0.023 | 0.007 | 27.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 665 | PHE | 0 | 0.003 | -0.003 | 20.343 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 666 | SER | 0 | -0.054 | -0.042 | 23.550 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 667 | ALA | 0 | -0.040 | -0.031 | 24.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 668 | GLY | 0 | -0.049 | -0.008 | 27.027 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 669 | ILE | 0 | 0.014 | -0.009 | 28.244 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 670 | PRO | 0 | 0.031 | 0.006 | 31.194 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 671 | GLY | 0 | 0.011 | 0.014 | 32.359 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 672 | VAL | 0 | -0.051 | -0.019 | 33.091 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 673 | VAL | 0 | -0.015 | -0.011 | 28.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 674 | GLU | -1 | -0.825 | -0.890 | 25.465 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 675 | ILE | 0 | 0.006 | -0.005 | 21.370 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 676 | LYS | 1 | 0.844 | 0.917 | 20.119 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 677 | PRO | 0 | 0.000 | 0.022 | 15.781 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 678 | LYS | 1 | 0.913 | 0.951 | 17.433 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 679 | SER | 0 | 0.024 | 0.020 | 17.024 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 704 | VAL | 0 | -0.036 | -0.028 | 14.835 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 705 | LEU | 0 | 0.036 | 0.025 | 10.458 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 706 | SER | 0 | -0.005 | -0.031 | 14.832 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 707 | PRO | 0 | -0.005 | -0.015 | 17.697 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 708 | ARG | 1 | 0.900 | 0.950 | 18.497 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 709 | PHE | 0 | -0.011 | 0.020 | 11.144 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 710 | TYR | 0 | 0.016 | -0.003 | 13.664 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 711 | GLY | 0 | 0.044 | 0.025 | 17.264 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 712 | SER | 0 | 0.009 | -0.018 | 17.242 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 713 | ALA | 0 | 0.011 | 0.003 | 14.407 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 714 | LEU | 0 | -0.014 | 0.009 | 16.177 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 715 | LEU | 0 | 0.014 | 0.022 | 19.168 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 716 | ILE | 0 | -0.001 | -0.004 | 16.401 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 717 | THR | 0 | 0.001 | -0.024 | 16.735 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 718 | ARG | 1 | 0.718 | 0.838 | 18.528 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 719 | LEU | 0 | -0.033 | -0.003 | 21.869 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 720 | PHE | 0 | 0.030 | 0.002 | 19.402 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 721 | SER | 0 | -0.046 | -0.038 | 21.061 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 722 | GLN | 0 | -0.043 | -0.023 | 22.019 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 723 | ILE | 0 | 0.052 | 0.033 | 21.863 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 724 | TRP | 0 | -0.054 | -0.018 | 12.883 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 725 | GLU | -1 | -0.805 | -0.908 | 16.641 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 726 | GLU | -1 | -0.925 | -0.950 | 20.042 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 727 | ARG | 1 | 0.797 | 0.886 | 22.195 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 728 | VAL | 0 | 0.006 | 0.019 | 21.901 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 729 | PHE | 0 | 0.012 | 0.001 | 23.795 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 730 | VAL | 0 | -0.014 | -0.004 | 27.747 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 744 | GLY | 0 | 0.048 | 0.031 | 33.302 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 745 | ILE | 0 | -0.039 | -0.012 | 27.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 746 | SER | 0 | -0.039 | -0.032 | 26.435 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 747 | ILE | 0 | 0.004 | 0.018 | 26.283 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 748 | THR | 0 | 0.028 | -0.001 | 30.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 749 | ARG | 1 | 0.861 | 0.917 | 31.599 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 750 | PRO | 0 | 0.077 | 0.029 | 32.059 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 751 | GLN | 0 | 0.029 | 0.043 | 29.358 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 752 | VAL | 0 | 0.005 | 0.011 | 27.087 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 753 | GLU | -1 | -0.801 | -0.897 | 27.781 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 754 | TYR | 0 | -0.017 | 0.004 | 27.978 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 755 | TYR | 0 | 0.017 | 0.007 | 24.331 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 756 | LEU | 0 | 0.025 | 0.015 | 24.906 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 757 | SER | 0 | 0.028 | 0.024 | 25.894 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 758 | SER | 0 | -0.059 | -0.040 | 25.757 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 759 | ILE | 0 | -0.011 | -0.010 | 18.955 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 760 | SER | 0 | -0.027 | -0.027 | 22.651 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 761 | VAL | 0 | 0.035 | 0.022 | 25.042 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 762 | LEU | 0 | 0.000 | -0.004 | 21.416 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 763 | ALA | 0 | 0.009 | -0.003 | 20.603 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 764 | ASP | -1 | -0.836 | -0.920 | 21.598 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 765 | PHE | 0 | -0.001 | -0.003 | 22.763 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 766 | PHE | 0 | 0.002 | -0.026 | 18.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 767 | ASN | 0 | -0.050 | -0.027 | 19.843 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 768 | ILE | 0 | -0.021 | -0.005 | 21.460 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 769 | HIS | 1 | 0.862 | 0.935 | 22.578 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 770 | ARG | 1 | 0.961 | 0.987 | 12.799 | 0.643 | 0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 771 | PRO | 0 | -0.012 | -0.026 | 18.610 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 772 | SER | 0 | -0.027 | 0.001 | 20.618 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 773 | PHE | 0 | -0.013 | -0.015 | 17.581 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 774 | VAL | 0 | -0.012 | 0.010 | 13.173 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 775 | SER | 0 | -0.042 | -0.011 | 14.063 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 786 | THR | 0 | 0.004 | -0.017 | 12.950 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 787 | ALA | 0 | 0.001 | -0.025 | 12.974 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 788 | SER | 0 | 0.029 | 0.013 | 14.149 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 789 | ASP | -1 | -0.831 | -0.900 | 11.324 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 790 | ALA | 0 | 0.011 | 0.011 | 9.384 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 791 | GLU | -1 | -0.774 | -0.867 | 9.973 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 792 | SER | 0 | -0.007 | 0.003 | 12.145 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 793 | ILE | 0 | 0.015 | -0.001 | 5.652 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 794 | ALA | 0 | 0.017 | 0.012 | 8.239 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 795 | MET | 0 | -0.003 | 0.002 | 9.118 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 796 | ASN | 0 | 0.028 | 0.025 | 8.701 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 797 | ALA | 0 | -0.032 | -0.010 | 7.334 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 798 | LEU | 0 | 0.015 | 0.012 | 9.408 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 799 | ILE | 0 | 0.008 | 0.001 | 12.360 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 800 | LEU | 0 | -0.022 | -0.003 | 9.973 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 801 | LEU | 0 | 0.019 | 0.007 | 11.212 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 802 | ILE | 0 | -0.018 | 0.000 | 13.078 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 803 | ASN | 0 | -0.010 | -0.023 | 16.505 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 804 | SER | 0 | -0.032 | -0.018 | 14.165 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 805 | ILE | 0 | -0.030 | -0.010 | 15.691 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 806 | LYS | 1 | 0.844 | 0.938 | 18.196 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 807 | ASP | -1 | -0.803 | -0.895 | 19.261 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 808 | ALA | 0 | -0.058 | -0.021 | 18.758 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 809 | LEU | 0 | 0.008 | -0.013 | 20.819 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 810 | SER | 0 | 0.003 | -0.010 | 23.649 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 811 | LEU | 0 | -0.046 | -0.014 | 22.344 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 812 | ILE | 0 | -0.019 | -0.009 | 23.970 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 813 | ASN | 0 | 0.013 | -0.004 | 26.746 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 814 | VAL | 0 | -0.002 | 0.009 | 29.034 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 815 | PHE | 0 | -0.029 | -0.024 | 25.744 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 816 | TYR | 0 | -0.032 | -0.045 | 30.407 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 817 | GLU | -1 | -0.910 | -0.928 | 33.146 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 818 | ASP | -1 | -0.830 | -0.908 | 35.557 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 819 | ILE | 0 | 0.022 | 0.007 | 33.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 820 | ASP | -1 | -0.872 | -0.937 | 35.866 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 821 | ALA | 0 | -0.003 | 0.011 | 38.257 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 822 | PHE | 0 | 0.008 | 0.005 | 28.597 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 823 | LYS | 1 | 0.889 | 0.923 | 34.129 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 824 | SER | 0 | -0.038 | -0.025 | 35.587 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 825 | LEU | 0 | 0.005 | 0.012 | 32.695 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 826 | LEU | 0 | -0.001 | -0.004 | 29.776 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 827 | ASN | 0 | -0.026 | -0.012 | 33.174 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 828 | THR | 0 | -0.039 | -0.036 | 36.214 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 829 | LEU | 0 | 0.003 | 0.013 | 30.863 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 830 | MET | 0 | -0.021 | 0.009 | 27.783 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 831 | GLY | 0 | 0.011 | 0.002 | 32.861 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 832 | ALA | 0 | -0.029 | -0.015 | 36.425 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 833 | GLY | 0 | -0.045 | -0.025 | 37.681 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 834 | GLY | 0 | 0.002 | 0.004 | 36.395 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 835 | VAL | 0 | -0.023 | -0.029 | 31.654 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 836 | TYR | 0 | 0.017 | 0.032 | 30.297 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 837 | ASP | -1 | -0.756 | -0.848 | 28.464 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 838 | SER | 0 | 0.000 | -0.013 | 30.423 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 839 | LYS | 1 | 0.900 | 0.937 | 23.644 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 840 | THR | 0 | -0.026 | -0.053 | 24.757 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 841 | ARG | 1 | 0.847 | 0.928 | 25.891 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 842 | GLU | -1 | -0.906 | -0.931 | 26.035 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 843 | TYR | 0 | -0.051 | -0.040 | 17.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 844 | PHE | 0 | 0.020 | -0.005 | 22.904 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 845 | PHE | 0 | 0.004 | -0.007 | 24.634 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 846 | ASP | -1 | -0.825 | -0.885 | 21.392 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 847 | LEU | 0 | -0.021 | 0.014 | 19.231 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 848 | LYS | 1 | 0.805 | 0.888 | 18.164 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 849 | PHE | 0 | 0.042 | 0.016 | 18.869 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 850 | HIS | 1 | 0.844 | 0.901 | 13.996 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 851 | ASP | -1 | -0.853 | -0.919 | 14.325 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 852 | LEU | 0 | -0.007 | -0.014 | 15.912 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 853 | PHE | 0 | 0.010 | 0.014 | 14.703 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 854 | THR | 0 | 0.000 | 0.009 | 9.675 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 855 | PRO | 0 | -0.028 | 0.015 | 11.956 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 856 | ASN | 0 | 0.041 | 0.027 | 12.521 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 857 | ALA | 0 | 0.038 | 0.006 | 13.402 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 858 | LYS | 1 | 0.832 | 0.922 | 15.656 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 859 | THR | 0 | 0.059 | 0.018 | 16.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 860 | LYS | 1 | 0.909 | 0.959 | 15.297 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 861 | GLN | 0 | -0.031 | -0.006 | 18.451 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 862 | LEU | 0 | 0.060 | 0.025 | 21.410 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 863 | ILE | 0 | 0.001 | 0.006 | 20.725 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 864 | LYS | 1 | 0.893 | 0.952 | 22.529 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 865 | GLU | -1 | -0.841 | -0.938 | 24.352 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 866 | ILE | 0 | 0.026 | 0.015 | 25.801 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 867 | LEU | 0 | -0.025 | -0.017 | 24.167 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 868 | ILE | 0 | -0.025 | -0.012 | 27.329 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 869 | GLU | -1 | -0.833 | -0.914 | 30.248 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 870 | VAL | 0 | -0.071 | -0.039 | 30.565 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 871 | VAL | 0 | -0.022 | -0.014 | 32.016 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 872 | ASN | 0 | -0.079 | -0.043 | 33.691 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 873 | ALA | 0 | -0.011 | 0.007 | 36.177 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 874 | ASN | 0 | -0.033 | -0.019 | 37.157 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 875 | ILE | 0 | -0.029 | -0.010 | 34.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 876 | ALA | 0 | 0.002 | -0.002 | 33.788 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 877 | SER | 0 | 0.031 | 0.007 | 35.758 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 878 | GLY | 0 | -0.010 | 0.006 | 38.076 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 879 | THR | 0 | 0.038 | 0.011 | 34.499 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 880 | SER | 0 | -0.025 | -0.026 | 33.129 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 881 | ALA | 0 | 0.014 | 0.000 | 32.068 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 882 | ASP | -1 | -0.901 | -0.948 | 32.401 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 883 | TYR | 0 | -0.007 | -0.011 | 24.633 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 884 | ILE | 0 | 0.025 | 0.019 | 28.008 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 885 | VAL | 0 | 0.005 | -0.008 | 27.822 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 886 | ASN | 0 | -0.070 | -0.022 | 26.360 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 887 | VAL | 0 | 0.051 | 0.018 | 23.010 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 888 | LEU | 0 | -0.057 | -0.030 | 23.239 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 889 | LYS | 1 | 0.905 | 0.956 | 23.574 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 890 | GLU | -1 | -0.953 | -0.968 | 21.481 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 891 | ARG | 1 | 0.849 | 0.924 | 18.181 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 892 | PHE | 0 | -0.031 | 0.000 | 18.567 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |