
FMODB ID: N979Q
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.
Apendix: None
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
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 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15660960.951905 |
---|---|
FMO2-HF: Nuclear repulsion | 15398498.896005 |
FMO2-HF: Total energy | -262462.0559 |
FMO2-MP2: Total energy | -263237.094993 |
3D Structure
Ligand structure

Ligand Interaction

Ligand binding energy
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(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. |
1.157 | 3.133 | 0.006 | -0.75 | -1.231 | 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 | 0.005 | -0.006 | 3.738 | 0.019 | 1.354 | -0.011 | -0.610 | -0.714 | 0.001 |
4 | A | 91 | LEU | 0 | 0.040 | 0.016 | 5.971 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 92 | GLN | 0 | 0.041 | 0.030 | 4.700 | 0.056 | 0.143 | -0.001 | -0.004 | -0.081 | 0.000 |
6 | A | 93 | LEU | 0 | 0.027 | 0.021 | 3.210 | -0.112 | 0.389 | 0.019 | -0.133 | -0.387 | 0.000 |
7 | A | 94 | ALA | 0 | -0.015 | -0.015 | 4.866 | 0.521 | 0.574 | -0.001 | -0.003 | -0.049 | 0.000 |
8 | A | 95 | SER | 0 | 0.023 | 0.007 | 8.343 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 96 | GLU | -1 | -0.921 | -0.965 | 5.473 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 97 | PHE | 0 | -0.026 | -0.021 | 7.295 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 98 | VAL | 0 | 0.005 | 0.004 | 10.660 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 99 | GLN | 0 | -0.018 | -0.007 | 12.418 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 100 | ASP | -1 | -0.914 | -0.935 | 12.657 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 101 | LEU | 0 | -0.020 | -0.023 | 14.399 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 102 | SER | 0 | -0.001 | -0.003 | 16.587 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 103 | PHE | 0 | -0.036 | -0.023 | 17.553 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 104 | ARG | 1 | 0.930 | 0.947 | 17.555 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 105 | ASP | -1 | -0.771 | -0.884 | 20.538 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 106 | ARG | 1 | 0.904 | 0.959 | 19.155 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 107 | ASN | 0 | -0.084 | -0.036 | 22.601 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 108 | THR | 0 | 0.031 | 0.027 | 25.131 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 109 | PRO | 0 | -0.013 | -0.012 | 27.218 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 110 | ILE | 0 | 0.013 | 0.018 | 30.614 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 111 | LEU | 0 | 0.030 | 0.020 | 33.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 112 | ASP | -1 | -0.809 | -0.873 | 36.048 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 113 | ASN | 0 | 0.040 | 0.006 | 36.481 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 114 | PRO | 0 | 0.029 | 0.023 | 39.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 115 | ASP | -1 | -0.912 | -0.965 | 39.472 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 116 | TYR | 0 | -0.152 | -0.072 | 34.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 117 | TYR | 0 | -0.048 | -0.073 | 40.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 118 | SER | 0 | 0.017 | 0.028 | 43.919 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 119 | LYS | 1 | 0.910 | 0.949 | 45.725 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 120 | GLY | 0 | -0.044 | -0.033 | 47.441 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 121 | LEU | 0 | -0.019 | 0.001 | 43.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 122 | ASP | -1 | -0.891 | -0.942 | 41.669 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 123 | TYR | 0 | -0.037 | -0.037 | 43.246 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 124 | ASN | 0 | 0.016 | 0.014 | 41.748 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 125 | PHE | 0 | -0.025 | -0.035 | 44.681 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 126 | SER | 0 | 0.041 | 0.029 | 48.021 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 127 | ASP | -1 | -0.864 | -0.928 | 50.187 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 128 | GLU | -1 | -0.932 | -0.958 | 52.307 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 129 | VAL | 0 | 0.017 | 0.011 | 51.080 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 130 | GLY | 0 | 0.003 | 0.003 | 47.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 131 | GLY | 0 | 0.016 | 0.005 | 47.845 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 132 | LEU | 0 | -0.066 | -0.030 | 43.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 133 | GLY | 0 | 0.008 | 0.011 | 43.613 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 134 | ALA | 0 | 0.023 | 0.021 | 39.105 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 135 | PHE | 0 | -0.022 | -0.001 | 35.705 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 136 | THR | 0 | -0.018 | -0.028 | 40.332 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 137 | PRO | 0 | -0.007 | 0.018 | 40.511 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 138 | PHE | 0 | 0.033 | 0.000 | 41.204 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 139 | GLN | 0 | 0.048 | 0.024 | 43.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 140 | ARG | 1 | 0.909 | 0.961 | 45.996 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 141 | GLN | 0 | -0.066 | -0.051 | 44.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 142 | GLN | 0 | -0.025 | -0.016 | 48.315 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 143 | VAL | 0 | 0.010 | 0.006 | 51.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 144 | THR | 0 | 0.022 | 0.015 | 53.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 145 | ASN | 0 | -0.013 | -0.008 | 56.307 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 146 | ILE | 0 | 0.009 | 0.002 | 59.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 147 | PRO | 0 | 0.035 | 0.037 | 60.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 148 | ASP | -1 | -0.834 | -0.921 | 63.052 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 149 | GLU | -1 | -0.928 | -0.969 | 63.650 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 150 | VAL | 0 | -0.024 | -0.003 | 62.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 151 | LEU | 0 | 0.023 | -0.003 | 65.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 152 | SER | 0 | -0.029 | -0.026 | 67.624 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 153 | GLN | 0 | -0.086 | -0.032 | 68.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 154 | VAL | 0 | -0.032 | -0.013 | 66.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 155 | SER | 0 | -0.053 | -0.017 | 70.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 156 | ASN | 0 | -0.059 | -0.028 | 73.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 157 | THR | 0 | 0.050 | 0.012 | 71.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 158 | GLU | -1 | -0.991 | -0.972 | 74.477 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 159 | ILE | 0 | -0.069 | -0.026 | 73.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 160 | LYS | 1 | 0.879 | 0.940 | 66.677 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 161 | SER | 0 | 0.064 | 0.046 | 68.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 162 | ASP | -1 | -0.991 | -1.004 | 63.186 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 163 | MET | 0 | -0.048 | -0.024 | 60.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 164 | GLY | 0 | 0.046 | 0.017 | 57.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 165 | ILE | 0 | -0.021 | -0.011 | 51.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 166 | PHE | 0 | -0.030 | -0.027 | 52.822 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 167 | LEU | 0 | -0.018 | -0.022 | 45.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 168 | GLU | -1 | -0.919 | -0.963 | 47.093 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 169 | LEU | 0 | -0.040 | -0.018 | 47.582 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 170 | ASN | 0 | 0.016 | 0.019 | 46.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 171 | TYR | 0 | -0.032 | -0.038 | 49.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 172 | CYS | 0 | -0.021 | 0.001 | 53.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 173 | TRP | 0 | -0.017 | 0.011 | 56.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 174 | ILE | 0 | 0.027 | 0.013 | 59.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 175 | THR | 0 | -0.051 | -0.029 | 63.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 176 | SER | 0 | 0.047 | 0.001 | 66.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 177 | ASP | -1 | -0.787 | -0.918 | 69.682 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 178 | ASN | 0 | -0.016 | 0.002 | 70.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 179 | LYS | 1 | 0.984 | 1.021 | 69.253 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 180 | LEU | 0 | -0.002 | -0.017 | 61.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 181 | ILE | 0 | -0.008 | 0.005 | 62.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 182 | LEU | 0 | 0.007 | -0.004 | 57.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 183 | TRP | 0 | 0.034 | 0.003 | 56.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 184 | ASN | 0 | 0.020 | 0.013 | 52.360 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 185 | ILE | 0 | 0.030 | 0.014 | 50.882 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 186 | ASN | 0 | -0.061 | -0.032 | 47.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 187 | ASN | 0 | 0.002 | 0.045 | 51.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 188 | SER | 0 | -0.049 | -0.031 | 55.162 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 189 | SER | 0 | 0.014 | -0.017 | 58.341 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 190 | GLU | -1 | -0.827 | -0.901 | 55.591 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 191 | TYR | 0 | -0.064 | -0.069 | 58.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 192 | HIS | 0 | 0.012 | 0.013 | 57.655 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 193 | CYS | 0 | -0.027 | 0.000 | 62.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 194 | ILE | 0 | -0.024 | -0.012 | 61.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 195 | ASP | -1 | -0.866 | -0.942 | 65.967 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 196 | GLU | -1 | -1.012 | -1.003 | 67.373 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 197 | ILE | 0 | -0.050 | -0.034 | 66.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 198 | GLU | -1 | -0.921 | -0.948 | 70.713 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 199 | HIS | 0 | -0.005 | -0.017 | 72.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 200 | THR | 0 | -0.011 | -0.017 | 71.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 201 | ILE | 0 | -0.009 | -0.010 | 65.635 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 202 | LEU | 0 | -0.092 | -0.045 | 67.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 203 | LYS | 1 | 0.865 | 0.921 | 61.690 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 204 | VAL | 0 | 0.056 | 0.051 | 59.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 205 | LYS | 1 | 0.870 | 0.937 | 53.085 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 206 | LEU | 0 | 0.060 | 0.042 | 51.344 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 207 | VAL | 0 | -0.035 | -0.023 | 52.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 208 | LYS | 1 | 0.950 | 0.982 | 46.373 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 209 | PRO | 0 | 0.017 | 0.015 | 50.201 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 210 | SER | 0 | -0.008 | 0.001 | 51.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 211 | PRO | 0 | 0.037 | 0.009 | 48.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 212 | ASN | 0 | -0.070 | -0.019 | 50.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 213 | THR | 0 | -0.046 | -0.028 | 53.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 214 | PHE | 0 | 0.030 | 0.004 | 54.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 215 | VAL | 0 | 0.016 | 0.006 | 55.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 216 | SER | 0 | -0.028 | -0.027 | 50.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 217 | SER | 0 | -0.039 | -0.012 | 49.714 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 218 | VAL | 0 | -0.023 | 0.012 | 49.612 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 219 | GLU | -1 | -0.889 | -0.945 | 45.842 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 220 | ASN | 0 | 0.004 | -0.015 | 48.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 221 | LEU | 0 | 0.005 | 0.002 | 51.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 222 | LEU | 0 | 0.011 | 0.006 | 55.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 223 | ILE | 0 | -0.039 | -0.017 | 57.732 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 224 | VAL | 0 | 0.044 | 0.016 | 60.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 225 | ALA | 0 | 0.021 | 0.011 | 63.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 226 | THR | 0 | 0.012 | 0.015 | 66.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 227 | LEU | 0 | -0.016 | -0.017 | 69.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 228 | PHE | 0 | -0.008 | 0.007 | 72.588 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 229 | ASP | -1 | -0.882 | -0.945 | 69.881 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 230 | ILE | 0 | -0.026 | -0.016 | 63.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 231 | TYR | 0 | 0.059 | 0.023 | 65.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 232 | ILE | 0 | 0.007 | 0.005 | 59.370 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 233 | LEU | 0 | 0.021 | 0.036 | 60.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 234 | THR | 0 | -0.014 | -0.006 | 56.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 235 | ILE | 0 | 0.027 | 0.016 | 54.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 236 | SER | 0 | -0.054 | -0.025 | 52.250 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 237 | PHE | 0 | 0.054 | 0.020 | 50.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 238 | ASN | 0 | -0.003 | 0.009 | 51.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 239 | ASP | -1 | -0.863 | -0.926 | 49.601 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 240 | ARG | 1 | 0.859 | 0.913 | 50.782 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 241 | THR | 0 | -0.019 | -0.030 | 53.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 242 | HIS | 0 | -0.083 | -0.018 | 48.584 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 243 | GLU | -1 | -0.861 | -0.911 | 52.671 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 244 | LEU | 0 | -0.040 | -0.025 | 53.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 245 | ASN | 0 | -0.023 | -0.004 | 55.791 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 246 | ILE | 0 | 0.027 | -0.008 | 57.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 247 | PHE | 0 | -0.009 | 0.007 | 58.323 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 248 | ASN | 0 | 0.066 | 0.028 | 61.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 249 | THR | 0 | -0.038 | -0.045 | 60.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 250 | GLY | 0 | -0.036 | -0.009 | 62.919 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 251 | LEU | 0 | -0.064 | -0.032 | 61.745 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 252 | LYS | 1 | 0.917 | 0.962 | 65.540 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 253 | VAL | 0 | -0.054 | -0.022 | 65.221 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 254 | ASN | 0 | 0.051 | 0.039 | 68.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 255 | VAL | 0 | -0.034 | -0.032 | 67.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 256 | THR | 0 | 0.019 | -0.012 | 70.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 257 | GLY | 0 | -0.038 | -0.011 | 74.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 258 | PHE | 0 | 0.008 | 0.011 | 68.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 259 | ASN | 0 | 0.004 | -0.006 | 70.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 260 | VAL | 0 | 0.047 | 0.025 | 64.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 261 | SER | 0 | -0.014 | -0.008 | 65.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 262 | ASN | 0 | -0.079 | -0.050 | 59.890 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 263 | ILE | 0 | 0.077 | 0.035 | 57.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 264 | ILE | 0 | -0.060 | -0.020 | 52.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 265 | SER | 0 | 0.086 | 0.041 | 51.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 266 | TYR | 0 | -0.034 | 0.013 | 46.760 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 267 | GLU | -1 | -0.905 | -0.967 | 45.770 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 268 | ARG | 1 | 0.861 | 0.937 | 41.459 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 269 | THR | 0 | -0.072 | -0.061 | 46.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 270 | GLY | 0 | 0.057 | 0.024 | 50.115 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 271 | GLN | 0 | -0.051 | -0.009 | 51.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 272 | ILE | 0 | 0.052 | 0.027 | 54.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 273 | PHE | 0 | 0.001 | -0.001 | 53.786 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 274 | PHE | 0 | -0.015 | -0.019 | 58.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 275 | THR | 0 | 0.034 | 0.008 | 61.405 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 276 | GLY | 0 | 0.057 | 0.029 | 64.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 277 | ALA | 0 | -0.064 | -0.042 | 67.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 278 | THR | 0 | -0.046 | -0.032 | 69.419 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 279 | ASP | -1 | -0.779 | -0.877 | 68.863 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 280 | GLY | 0 | 0.023 | 0.030 | 68.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 281 | VAL | 0 | -0.084 | -0.065 | 64.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 282 | ASN | 0 | -0.038 | -0.012 | 64.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 283 | VAL | 0 | -0.013 | -0.007 | 59.382 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 284 | TRP | 0 | -0.055 | -0.030 | 62.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 285 | GLU | -1 | -0.861 | -0.935 | 58.094 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 286 | LEU | 0 | -0.035 | -0.008 | 60.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 287 | GLN | 0 | 0.001 | 0.013 | 59.795 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 288 | TYR | 0 | 0.028 | 0.000 | 55.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 289 | ASN | 0 | 0.002 | 0.007 | 58.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 301 | LYN | 0 | 0.055 | 0.023 | 65.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 302 | ILE | 0 | -0.041 | -0.022 | 66.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 303 | CYS | 0 | 0.027 | 0.028 | 64.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 304 | LEU | 0 | 0.017 | -0.007 | 64.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 305 | THR | 0 | -0.028 | -0.006 | 64.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 306 | LYN | 0 | 0.011 | 0.019 | 59.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 307 | SER | 0 | -0.035 | -0.023 | 62.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 308 | ASN | 0 | 0.038 | 0.015 | 64.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 309 | LEU | 0 | -0.040 | 0.000 | 67.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 339 | GLU | -1 | -0.952 | -0.999 | 65.757 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 340 | GLU | -1 | -0.939 | -0.956 | 66.985 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 341 | THR | 0 | 0.044 | 0.019 | 67.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 342 | ILE | 0 | -0.008 | 0.000 | 61.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 343 | SER | 0 | -0.106 | -0.057 | 61.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 344 | GLN | 0 | 0.046 | 0.013 | 53.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 345 | LEU | 0 | -0.008 | 0.005 | 56.609 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 346 | GLU | -1 | -0.800 | -0.917 | 49.396 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 347 | VAL | 0 | 0.004 | -0.003 | 48.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 348 | ASP | -1 | -0.760 | -0.859 | 44.968 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 349 | GLN | 0 | 0.114 | 0.032 | 44.461 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 350 | SER | 0 | -0.065 | -0.012 | 40.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 351 | ARG | 1 | 0.788 | 0.881 | 41.867 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 352 | GLY | 0 | 0.000 | 0.014 | 44.883 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 353 | VAL | 0 | -0.043 | -0.033 | 48.094 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 354 | LEU | 0 | 0.027 | 0.024 | 50.279 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 355 | HIS | 0 | -0.017 | -0.029 | 50.351 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 356 | THR | 0 | 0.001 | 0.009 | 54.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 357 | LEU | 0 | 0.060 | 0.028 | 57.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 358 | SER | 0 | 0.020 | 0.024 | 59.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 359 | THR | 0 | 0.052 | 0.009 | 63.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 360 | LYS | 1 | 0.850 | 0.928 | 65.511 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 361 | SER | 0 | -0.037 | -0.005 | 61.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 362 | ILE | 0 | -0.046 | -0.012 | 61.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 363 | VAL | 0 | 0.032 | 0.009 | 54.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 364 | ARG | 1 | 0.895 | 0.946 | 58.293 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 365 | SER | 0 | 0.034 | 0.015 | 53.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 366 | TYR | 0 | 0.043 | 0.013 | 54.685 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 367 | LEU | 0 | -0.018 | -0.002 | 49.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 368 | ILE | 0 | 0.020 | 0.015 | 51.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 369 | THR | 0 | -0.077 | -0.044 | 51.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 370 | SER | 0 | 0.040 | 0.003 | 52.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 371 | ASN | 0 | -0.063 | -0.029 | 54.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 372 | GLY | 0 | 0.075 | 0.034 | 56.882 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 373 | LEU | 0 | -0.033 | 0.002 | 56.197 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 374 | VAL | 0 | -0.038 | -0.012 | 55.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 375 | GLY | 0 | -0.004 | 0.014 | 56.202 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 376 | PRO | 0 | -0.025 | -0.004 | 58.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 377 | VAL | 0 | -0.035 | -0.022 | 54.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 378 | LEU | 0 | 0.014 | -0.017 | 57.515 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 379 | ILE | 0 | -0.029 | 0.009 | 53.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 380 | ASP | -1 | -0.777 | -0.896 | 58.000 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 381 | ALA | 0 | 0.065 | 0.014 | 59.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 382 | ALA | 0 | -0.047 | -0.022 | 61.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 383 | HIS | 0 | -0.090 | -0.049 | 54.330 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 384 | ILE | 0 | 0.097 | 0.049 | 55.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 385 | ARG | 1 | 0.898 | 0.943 | 57.335 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 386 | ARG | 1 | 0.892 | 0.959 | 58.566 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 387 | GLY | 0 | 0.036 | 0.020 | 54.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 388 | MET | 0 | -0.002 | 0.002 | 54.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 389 | ASN | 0 | -0.031 | -0.036 | 55.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 390 | ALA | 0 | -0.042 | -0.014 | 53.897 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 391 | LEU | 0 | 0.017 | 0.021 | 49.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 392 | GLY | 0 | -0.008 | 0.017 | 51.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 393 | VAL | 0 | -0.026 | -0.010 | 52.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 394 | LYS | 1 | 0.937 | 0.964 | 55.272 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 395 | ASN | 0 | -0.054 | -0.047 | 59.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 396 | SER | 0 | 0.027 | 0.012 | 57.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 397 | PRO | 0 | 0.015 | 0.004 | 59.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 398 | LEU | 0 | 0.010 | 0.013 | 56.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 399 | LEU | 0 | 0.026 | 0.006 | 55.743 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 400 | SER | 0 | -0.062 | -0.013 | 60.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 401 | ASN | 0 | 0.016 | -0.015 | 63.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 402 | ARG | 1 | 0.923 | 0.963 | 66.051 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 403 | ALA | 0 | 0.023 | 0.019 | 63.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 404 | PHE | 0 | -0.026 | 0.009 | 58.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 405 | LYS | 1 | 0.995 | 0.989 | 61.397 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 406 | ILE | 0 | -0.021 | -0.015 | 56.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 407 | ALA | 0 | -0.059 | -0.018 | 56.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 408 | LYS | 1 | 0.888 | 0.929 | 52.993 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 409 | ILE | 0 | -0.061 | -0.017 | 52.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 410 | VAL | 0 | 0.053 | 0.027 | 46.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 411 | SER | 0 | -0.043 | -0.012 | 46.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 412 | ILE | 0 | 0.000 | 0.004 | 41.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 413 | SER | 0 | 0.073 | 0.041 | 39.128 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 414 | MET | 0 | 0.023 | -0.011 | 38.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 415 | CYS | 0 | -0.053 | -0.031 | 35.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 416 | GLU | -1 | -0.849 | -0.898 | 34.852 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 417 | ASN | 0 | -0.001 | -0.023 | 36.523 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 418 | ASN | 0 | 0.017 | 0.014 | 37.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 419 | ASP | -1 | -0.893 | -0.942 | 38.915 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 420 | LEU | 0 | -0.072 | -0.049 | 41.724 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 421 | PHE | 0 | -0.006 | -0.013 | 43.382 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 422 | LEU | 0 | -0.019 | -0.011 | 46.147 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 423 | ALA | 0 | 0.017 | 0.019 | 46.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 424 | VAL | 0 | -0.031 | -0.026 | 48.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 425 | ILE | 0 | 0.045 | 0.035 | 50.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 426 | THR | 0 | 0.012 | 0.006 | 53.555 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 427 | THR | 0 | -0.003 | -0.009 | 56.848 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 428 | THR | 0 | -0.019 | -0.016 | 58.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 429 | GLY | 0 | 0.062 | 0.030 | 54.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 430 | VAL | 0 | -0.061 | -0.028 | 53.017 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 431 | ARG | 1 | 0.876 | 0.918 | 44.786 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 432 | LEU | 0 | -0.048 | -0.031 | 50.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 433 | TYR | 0 | 0.095 | 0.051 | 44.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 434 | PHE | 0 | 0.012 | 0.003 | 48.065 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 435 | LYS | 1 | 1.031 | 1.026 | 45.249 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 436 | GLY | 0 | 0.000 | -0.018 | 45.979 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 437 | SER | 0 | -0.018 | 0.001 | 45.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 438 | ILE | 0 | 0.044 | 0.021 | 45.184 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 439 | SER | 0 | 0.006 | 0.024 | 46.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 440 | ARG | 1 | 0.999 | 0.983 | 48.304 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 441 | ARG | 1 | 0.975 | 0.985 | 49.598 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 442 | SER | 0 | -0.050 | -0.032 | 51.802 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 443 | ILE | 0 | 0.076 | 0.038 | 51.053 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 444 | GLY | 0 | 0.004 | 0.021 | 50.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 445 | SER | 0 | -0.035 | -0.035 | 52.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 446 | LEU | 0 | 0.066 | 0.043 | 49.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 447 | LYS | 1 | 0.877 | 0.934 | 49.798 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 448 | LEU | 0 | -0.048 | -0.011 | 49.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 449 | ASP | -1 | -0.899 | -0.963 | 44.081 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 450 | SER | 0 | -0.005 | -0.008 | 45.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 451 | VAL | 0 | -0.001 | -0.014 | 47.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 452 | LYS | 1 | 0.826 | 0.944 | 42.602 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 453 | PHE | 0 | -0.016 | -0.012 | 49.005 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 454 | PRO | 0 | 0.036 | 0.026 | 50.556 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 455 | PRO | 0 | 0.074 | 0.066 | 49.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 456 | THR | 0 | -0.052 | 0.004 | 51.559 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 457 | SER | 0 | 0.060 | 0.044 | 51.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 481 | GLY | 0 | 0.047 | 0.025 | 48.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 482 | PRO | 0 | 0.002 | -0.001 | 48.043 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 483 | LEU | 0 | 0.058 | 0.031 | 50.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 484 | SER | 0 | -0.051 | -0.025 | 51.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 485 | THR | 0 | 0.017 | 0.012 | 53.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 486 | GLN | 0 | 0.054 | -0.002 | 48.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 487 | LYS | 1 | 0.875 | 0.961 | 54.011 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 488 | ALA | 0 | -0.010 | -0.029 | 56.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 489 | SER | 0 | -0.042 | -0.034 | 55.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 490 | SER | 0 | 0.025 | -0.008 | 57.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 491 | THR | 0 | 0.014 | -0.008 | 54.279 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 492 | TYR | 0 | 0.024 | 0.023 | 50.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 493 | ILE | 0 | -0.078 | 0.011 | 57.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 494 | ASN | 0 | -0.028 | -0.048 | 60.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 495 | THR | 0 | -0.001 | -0.008 | 55.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 496 | THR | 0 | 0.010 | -0.006 | 58.124 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 497 | CYS | 0 | 0.008 | 0.002 | 56.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 498 | ALA | 0 | 0.080 | 0.052 | 56.079 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 499 | SER | 0 | -0.039 | -0.024 | 52.905 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 500 | THR | 0 | 0.004 | 0.005 | 48.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 501 | ILE | 0 | -0.027 | -0.020 | 44.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 502 | ILE | 0 | 0.041 | 0.036 | 41.932 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 503 | SER | 0 | -0.070 | -0.005 | 39.115 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 504 | PRO | 0 | 0.039 | 0.013 | 35.651 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 505 | GLY | 0 | 0.078 | -0.002 | 38.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 506 | ILE | 0 | -0.033 | 0.000 | 39.400 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 507 | TYR | 0 | -0.049 | -0.026 | 42.978 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 508 | PHE | 0 | 0.089 | 0.041 | 45.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 509 | THR | 0 | -0.020 | -0.021 | 49.321 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 510 | CYS | 0 | 0.051 | 0.041 | 52.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 511 | VAL | 0 | -0.014 | -0.013 | 55.714 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 512 | ARG | 1 | 0.943 | 0.978 | 58.249 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 513 | LYS | 1 | 0.869 | 0.952 | 60.081 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 514 | ARG | 1 | 0.918 | 0.945 | 63.862 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 515 | ALA | 0 | 0.050 | 0.042 | 66.777 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 535 | GLU | -1 | -0.939 | -0.985 | 62.283 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 536 | HIS | 0 | 0.002 | -0.005 | 60.167 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 537 | LYS | 1 | 0.979 | 1.001 | 56.860 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 538 | LEU | 0 | 0.046 | 0.034 | 51.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 539 | TYR | 0 | -0.068 | -0.060 | 50.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 540 | VAL | 0 | 0.020 | 0.015 | 45.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 541 | SER | 0 | -0.023 | -0.020 | 45.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 542 | ALA | 0 | 0.027 | 0.008 | 40.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 543 | PRO | 0 | -0.026 | -0.008 | 37.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 544 | ASP | -1 | -0.783 | -0.892 | 34.961 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 545 | TYR | 0 | 0.051 | -0.002 | 32.400 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 546 | GLY | 0 | 0.020 | 0.011 | 30.218 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 547 | ILE | 0 | 0.005 | 0.000 | 30.475 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 548 | LEU | 0 | -0.049 | -0.005 | 32.401 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 549 | LYS | 1 | 0.828 | 0.892 | 25.097 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 550 | ASN | 0 | -0.087 | -0.025 | 27.405 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 551 | TYR | 0 | -0.087 | -0.081 | 28.639 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 552 | GLY | 0 | -0.015 | 0.012 | 31.227 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 553 | LYS | 1 | 0.835 | 0.925 | 32.343 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 554 | TYR | 0 | -0.020 | -0.069 | 35.682 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 555 | VAL | 0 | 0.043 | 0.017 | 38.136 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 556 | GLU | -1 | -0.750 | -0.793 | 39.452 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 557 | ASN | 0 | 0.017 | 0.012 | 38.697 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 558 | THR | 0 | -0.049 | -0.029 | 42.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 559 | ALA | 0 | 0.036 | 0.016 | 46.360 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 560 | LEU | 0 | -0.011 | 0.002 | 48.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 561 | LEU | 0 | -0.045 | -0.027 | 47.600 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 562 | ASP | -1 | -0.885 | -0.964 | 51.332 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 563 | THR | 0 | -0.061 | -0.024 | 53.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 564 | THR | 0 | -0.008 | 0.000 | 55.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 565 | ASP | -1 | -0.894 | -0.940 | 59.482 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 566 | GLU | -1 | -1.040 | -1.026 | 59.677 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 567 | ILE | 0 | -0.003 | -0.017 | 54.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 568 | LYS | 1 | 0.878 | 0.947 | 58.335 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 569 | GLU | -1 | -0.915 | -0.972 | 53.833 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 570 | ILE | 0 | -0.038 | -0.018 | 49.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 571 | VAL | 0 | 0.026 | 0.015 | 48.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 572 | PRO | 0 | -0.044 | -0.012 | 43.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 573 | LEU | 0 | 0.022 | -0.003 | 45.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 574 | THR | 0 | 0.040 | 0.033 | 40.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 575 | ARG | 1 | 0.942 | 0.967 | 37.504 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 576 | SER | 0 | -0.008 | -0.011 | 38.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 577 | PHE | 0 | 0.025 | 0.017 | 33.757 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 578 | ASN | 0 | -0.072 | -0.027 | 32.872 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 579 | TYR | 0 | -0.031 | -0.017 | 23.136 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 580 | THR | 0 | -0.001 | 0.001 | 26.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 581 | SER | 0 | -0.009 | -0.009 | 29.522 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 582 | THR | 0 | -0.045 | -0.031 | 29.521 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 583 | PRO | 0 | 0.035 | 0.018 | 31.700 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 584 | GLN | 0 | -0.006 | 0.001 | 27.874 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 585 | GLY | 0 | 0.065 | 0.036 | 27.584 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 586 | TYR | 0 | -0.062 | -0.022 | 28.392 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 587 | ALA | 0 | 0.028 | -0.003 | 31.709 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 588 | ASN | 0 | -0.059 | -0.018 | 25.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 589 | VAL | 0 | 0.057 | 0.014 | 28.878 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 590 | PHE | 0 | -0.044 | -0.024 | 26.845 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 591 | ALA | 0 | -0.004 | 0.003 | 24.663 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 592 | SER | 0 | -0.033 | -0.034 | 25.965 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 593 | GLN | 0 | -0.035 | -0.026 | 27.162 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 594 | TYR | 0 | -0.025 | -0.012 | 24.821 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 595 | SER | 0 | 0.003 | 0.003 | 27.512 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 596 | ALA | 0 | -0.040 | -0.011 | 29.479 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 597 | GLU | -1 | -0.898 | -0.952 | 32.625 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 598 | PRO | 0 | -0.022 | -0.024 | 35.828 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 599 | LEU | 0 | 0.008 | 0.018 | 37.508 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 600 | LYS | 1 | 0.941 | 0.966 | 39.798 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 601 | VAL | 0 | -0.027 | -0.010 | 43.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 602 | ALA | 0 | 0.023 | 0.025 | 46.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 603 | VAL | 0 | 0.003 | -0.010 | 49.931 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 604 | LEU | 0 | 0.019 | 0.024 | 52.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 605 | THR | 0 | 0.046 | 0.015 | 56.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 606 | SER | 0 | -0.005 | -0.017 | 59.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 607 | ASN | 0 | -0.033 | -0.003 | 61.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 608 | ALA | 0 | 0.016 | 0.008 | 58.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 609 | LEU | 0 | 0.005 | 0.012 | 52.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 610 | GLU | -1 | -0.840 | -0.891 | 53.132 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 611 | ILE | 0 | 0.009 | 0.006 | 46.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 612 | TYR | 0 | -0.019 | -0.045 | 46.496 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 613 | CYS | 0 | -0.035 | -0.011 | 42.045 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 614 | TYR | 0 | 0.020 | 0.005 | 35.211 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 615 | ARG | 1 | 0.843 | 0.922 | 38.755 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 616 | THR | 0 | -0.018 | -0.032 | 33.198 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 617 | PRO | 0 | 0.004 | -0.015 | 30.414 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 618 | ASP | -1 | -0.798 | -0.897 | 31.253 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 619 | GLU | -1 | -0.807 | -0.909 | 32.641 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 620 | VAL | 0 | -0.040 | -0.005 | 34.767 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 621 | PHE | 0 | -0.035 | -0.036 | 29.941 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 622 | GLU | -1 | -0.848 | -0.918 | 34.210 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 623 | SER | 0 | -0.038 | -0.022 | 36.538 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 624 | LEU | 0 | -0.081 | -0.032 | 36.097 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 625 | ILE | 0 | -0.008 | 0.001 | 34.277 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 626 | GLU | -1 | -0.848 | -0.912 | 36.485 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 627 | ASN | 0 | -0.037 | -0.033 | 37.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 628 | PRO | 0 | 0.056 | 0.045 | 32.258 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 629 | LEU | 0 | 0.003 | -0.005 | 33.176 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 630 | PRO | 0 | 0.025 | 0.010 | 34.211 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 631 | PHE | 0 | 0.043 | 0.034 | 28.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 632 | ILE | 0 | -0.030 | -0.022 | 28.658 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 633 | HIS | 0 | -0.029 | 0.003 | 30.395 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 634 | SER | 0 | 0.013 | 0.038 | 32.598 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 635 | TYR | 0 | -0.029 | -0.021 | 29.243 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 636 | GLY | 0 | 0.034 | 0.029 | 26.738 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 637 | LEU | 0 | -0.009 | -0.018 | 24.496 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 638 | SER | 0 | 0.031 | -0.006 | 20.341 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 639 | GLU | -1 | -0.701 | -0.801 | 22.739 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 640 | ALA | 0 | -0.005 | 0.009 | 25.194 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 641 | CYS | 0 | -0.042 | -0.014 | 22.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 642 | SER | 0 | -0.012 | -0.001 | 22.086 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 643 | THR | 0 | 0.009 | 0.011 | 23.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 644 | ALA | 0 | -0.021 | 0.005 | 26.671 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 645 | LEU | 0 | 0.004 | 0.006 | 21.220 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 646 | TYR | 0 | 0.019 | -0.002 | 25.381 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 647 | LEU | 0 | -0.002 | -0.011 | 27.168 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 648 | ALA | 0 | -0.042 | -0.009 | 27.471 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 649 | CYS | 0 | -0.082 | -0.041 | 25.956 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 650 | LYS | 1 | 0.874 | 0.972 | 28.680 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 651 | PHE | 0 | 0.027 | 0.009 | 31.307 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 652 | ASN | 0 | -0.020 | -0.017 | 34.375 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 653 | LYS | 1 | 0.872 | 0.931 | 35.058 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 654 | SER | 0 | 0.027 | 0.017 | 37.547 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 655 | GLU | -1 | -0.835 | -0.945 | 36.717 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 656 | HIS | 0 | -0.060 | -0.019 | 36.756 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 657 | ILE | 0 | 0.041 | 0.029 | 34.716 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 658 | LYS | 1 | 0.906 | 0.965 | 31.773 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 659 | SER | 0 | -0.032 | -0.034 | 31.923 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 660 | SER | 0 | 0.036 | 0.013 | 32.738 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 661 | ALA | 0 | -0.017 | 0.000 | 30.087 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 662 | LEU | 0 | 0.002 | -0.004 | 26.598 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 663 | ALA | 0 | -0.005 | -0.003 | 27.854 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 664 | PHE | 0 | 0.022 | 0.009 | 27.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 665 | PHE | 0 | -0.006 | 0.000 | 20.572 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 666 | SER | 0 | -0.043 | -0.029 | 24.017 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 667 | ALA | 0 | -0.027 | -0.017 | 24.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 668 | GLY | 0 | -0.036 | 0.004 | 27.254 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 669 | ILE | 0 | -0.002 | -0.013 | 28.306 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 670 | PRO | 0 | 0.039 | 0.011 | 31.668 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 671 | GLY | 0 | 0.012 | 0.015 | 32.288 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 672 | VAL | 0 | -0.048 | -0.021 | 32.950 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 673 | VAL | 0 | -0.014 | -0.012 | 28.241 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 674 | GLU | -1 | -0.904 | -0.948 | 25.949 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 675 | ILE | 0 | -0.027 | -0.012 | 21.617 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 676 | LYS | 1 | 0.935 | 0.963 | 20.260 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 677 | PRO | 0 | 0.010 | 0.027 | 15.988 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 678 | LYS | 1 | 0.893 | 0.937 | 17.902 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 679 | SER | 0 | 0.050 | 0.033 | 17.295 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 704 | VAL | 0 | -0.026 | -0.024 | 14.965 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 705 | LEU | 0 | 0.006 | 0.014 | 10.732 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 706 | SER | 0 | -0.031 | -0.029 | 15.127 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 707 | PRO | 0 | 0.013 | -0.011 | 17.612 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 708 | ARG | 1 | 0.933 | 0.963 | 19.053 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 709 | PHE | 0 | 0.012 | 0.017 | 10.900 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 710 | TYR | 0 | 0.004 | -0.008 | 13.572 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 711 | GLY | 0 | 0.029 | 0.021 | 17.117 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 712 | SER | 0 | 0.010 | -0.018 | 17.019 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 713 | ALA | 0 | 0.017 | 0.010 | 14.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 714 | LEU | 0 | -0.011 | 0.000 | 16.073 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 715 | LEU | 0 | 0.015 | 0.008 | 19.114 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 716 | ILE | 0 | -0.027 | -0.011 | 16.015 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 717 | THR | 0 | -0.007 | -0.019 | 16.522 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 718 | ARG | 1 | 0.733 | 0.832 | 18.384 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 719 | LEU | 0 | -0.036 | 0.007 | 21.615 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 720 | PHE | 0 | -0.008 | -0.015 | 19.255 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 721 | SER | 0 | 0.017 | 0.008 | 20.953 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 722 | GLN | 0 | -0.043 | -0.027 | 22.183 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 723 | ILE | 0 | 0.074 | 0.049 | 21.937 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 724 | TRP | 0 | -0.028 | -0.003 | 13.425 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 725 | GLU | -1 | -0.900 | -0.988 | 17.506 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 726 | GLU | -1 | -0.950 | -0.956 | 20.760 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 727 | ARG | 1 | 0.891 | 0.949 | 22.999 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 728 | VAL | 0 | 0.031 | 0.062 | 22.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 729 | PHE | 0 | 0.010 | 0.001 | 24.465 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 730 | VAL | 0 | 0.017 | 0.010 | 28.255 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 744 | GLY | 0 | 0.004 | -0.010 | 33.173 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 745 | ILE | 0 | -0.029 | -0.011 | 27.933 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 746 | SER | 0 | -0.056 | -0.069 | 26.876 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 747 | ILE | 0 | 0.019 | 0.031 | 26.288 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 748 | THR | 0 | 0.037 | 0.013 | 30.157 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 749 | ARG | 1 | 1.027 | 1.013 | 31.627 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 750 | PRO | 0 | 0.059 | 0.024 | 32.610 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 751 | GLN | 0 | 0.012 | 0.011 | 29.804 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 752 | VAL | 0 | 0.011 | 0.013 | 27.655 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 753 | GLU | -1 | -0.915 | -0.962 | 28.175 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 754 | TYR | 0 | -0.013 | 0.006 | 27.906 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 755 | TYR | 0 | 0.015 | 0.002 | 24.506 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 756 | LEU | 0 | 0.020 | 0.017 | 25.031 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 757 | SER | 0 | 0.016 | 0.029 | 25.939 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 758 | SER | 0 | -0.009 | -0.020 | 25.374 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 759 | ILE | 0 | -0.011 | -0.008 | 19.006 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 760 | SER | 0 | -0.037 | -0.039 | 22.461 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 761 | VAL | 0 | 0.009 | 0.027 | 24.975 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 762 | LEU | 0 | -0.026 | -0.024 | 20.987 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 763 | ALA | 0 | -0.005 | -0.004 | 20.609 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 764 | ASP | -1 | -0.887 | -0.941 | 21.653 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 765 | PHE | 0 | -0.019 | -0.014 | 22.273 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 766 | PHE | 0 | -0.012 | -0.038 | 18.841 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 767 | ASN | 0 | -0.017 | -0.008 | 20.111 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 768 | ILE | 0 | -0.030 | 0.002 | 21.639 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 769 | HIS | 1 | 0.849 | 0.920 | 22.987 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 770 | ARG | 1 | 0.988 | 0.993 | 13.311 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 771 | PRO | 0 | -0.007 | -0.015 | 18.971 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 772 | SER | 0 | -0.027 | -0.001 | 20.820 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 773 | PHE | 0 | -0.040 | -0.033 | 17.348 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 774 | VAL | 0 | -0.023 | -0.004 | 13.222 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 775 | SER | 0 | -0.015 | 0.018 | 14.659 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 786 | THR | 0 | 0.004 | -0.010 | 12.363 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 787 | ALA | 0 | 0.051 | 0.017 | 12.723 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 788 | SER | 0 | 0.029 | 0.011 | 14.038 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 789 | ASP | -1 | -0.847 | -0.931 | 11.233 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 790 | ALA | 0 | -0.033 | -0.006 | 9.276 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 791 | GLU | -1 | -0.784 | -0.903 | 9.933 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 792 | SER | 0 | 0.003 | 0.000 | 11.888 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 793 | ILE | 0 | -0.006 | -0.005 | 5.286 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 794 | ALA | 0 | 0.006 | 0.007 | 8.504 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 795 | MET | 0 | 0.016 | 0.011 | 9.433 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 796 | ASN | 0 | 0.024 | 0.027 | 8.753 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 797 | ALA | 0 | -0.032 | -0.012 | 7.234 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 798 | LEU | 0 | 0.011 | 0.012 | 9.198 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 799 | ILE | 0 | 0.015 | 0.003 | 12.029 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 800 | LEU | 0 | -0.033 | -0.004 | 9.896 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 801 | LEU | 0 | 0.010 | 0.003 | 11.226 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 802 | ILE | 0 | -0.012 | 0.000 | 12.905 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 803 | ASN | 0 | -0.051 | -0.051 | 16.196 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 804 | SER | 0 | -0.038 | -0.041 | 14.257 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 805 | ILE | 0 | -0.012 | -0.006 | 15.679 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 806 | LYS | 1 | 0.966 | 0.982 | 18.091 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 807 | ASP | -1 | -0.914 | -0.946 | 18.899 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 808 | ALA | 0 | -0.042 | -0.021 | 19.141 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 809 | LEU | 0 | 0.013 | -0.010 | 21.061 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 810 | SER | 0 | -0.004 | -0.011 | 23.588 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 811 | LEU | 0 | -0.045 | -0.019 | 22.519 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 812 | ILE | 0 | -0.012 | -0.002 | 24.477 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 813 | ASN | 0 | 0.009 | -0.010 | 27.096 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 814 | VAL | 0 | -0.006 | 0.004 | 28.935 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 815 | PHE | 0 | -0.029 | -0.025 | 26.408 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 816 | TYR | 0 | -0.058 | -0.054 | 30.725 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 817 | GLU | -1 | -0.938 | -0.944 | 33.351 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 818 | ASP | -1 | -0.868 | -0.930 | 35.881 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 819 | ILE | 0 | 0.023 | -0.003 | 33.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 820 | ASP | -1 | -0.906 | -0.953 | 36.541 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 821 | ALA | 0 | 0.036 | 0.025 | 38.270 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 822 | PHE | 0 | 0.011 | 0.003 | 29.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 823 | LYS | 1 | 0.916 | 0.954 | 34.474 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 824 | SER | 0 | -0.031 | -0.012 | 36.113 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 825 | LEU | 0 | 0.003 | 0.010 | 32.858 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 826 | LEU | 0 | 0.011 | -0.007 | 29.846 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 827 | ASN | 0 | -0.046 | -0.012 | 33.663 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 828 | THR | 0 | -0.093 | -0.042 | 36.670 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 829 | LEU | 0 | -0.003 | 0.001 | 31.147 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 830 | MET | 0 | -0.079 | -0.033 | 28.299 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 831 | GLY | 0 | 0.064 | 0.019 | 33.460 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 832 | ALA | 0 | -0.034 | -0.005 | 37.008 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 833 | GLY | 0 | -0.053 | -0.028 | 39.041 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 834 | GLY | 0 | -0.031 | -0.010 | 37.823 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 835 | VAL | 0 | -0.022 | -0.033 | 31.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 836 | TYR | 0 | 0.055 | 0.048 | 30.535 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 837 | ASP | -1 | -0.800 | -0.864 | 28.843 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 838 | SER | 0 | 0.007 | -0.012 | 30.438 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 839 | LYS | 1 | 1.001 | 0.989 | 22.668 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 840 | THR | 0 | -0.023 | -0.051 | 25.152 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 841 | ARG | 1 | 0.974 | 0.990 | 26.566 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 842 | GLU | -1 | -0.997 | -1.002 | 27.255 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 843 | TYR | 0 | -0.083 | -0.047 | 18.255 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 844 | PHE | 0 | 0.026 | 0.012 | 23.077 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 845 | PHE | 0 | -0.017 | -0.018 | 25.166 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 846 | ASP | -1 | -0.968 | -0.997 | 22.893 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 847 | LEU | 0 | -0.008 | 0.008 | 19.539 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 848 | LYS | 1 | 0.869 | 0.943 | 18.947 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 849 | PHE | 0 | 0.072 | 0.023 | 19.416 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 850 | HIS | 1 | 0.930 | 0.976 | 13.942 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 851 | ASP | -1 | -0.885 | -0.934 | 14.744 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 852 | LEU | 0 | -0.027 | -0.026 | 16.080 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 853 | PHE | 0 | 0.012 | 0.018 | 15.024 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 854 | THR | 0 | -0.015 | 0.018 | 10.158 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 855 | PRO | 0 | -0.009 | 0.040 | 12.269 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 856 | ASN | 0 | 0.052 | 0.017 | 12.917 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 857 | ALA | 0 | 0.028 | -0.014 | 13.837 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 858 | LYS | 1 | 0.907 | 0.980 | 15.719 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 859 | THR | 0 | 0.088 | 0.049 | 17.082 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 860 | LYS | 1 | 0.961 | 0.998 | 13.970 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 861 | GLN | 0 | -0.022 | -0.025 | 18.941 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 862 | LEU | 0 | 0.069 | 0.026 | 21.481 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 863 | ILE | 0 | -0.006 | 0.005 | 21.141 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 864 | LYS | 1 | 0.930 | 0.977 | 22.533 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 865 | GLU | -1 | -0.933 | -0.973 | 24.440 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 866 | ILE | 0 | 0.034 | 0.024 | 25.906 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 867 | LEU | 0 | -0.035 | -0.020 | 24.611 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 868 | ILE | 0 | -0.015 | -0.015 | 27.383 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 869 | GLU | -1 | -0.893 | -0.960 | 30.386 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 870 | VAL | 0 | -0.067 | -0.031 | 30.548 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 871 | VAL | 0 | -0.032 | -0.018 | 31.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 872 | ASN | 0 | -0.042 | -0.018 | 33.749 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 873 | ALA | 0 | -0.015 | 0.011 | 36.336 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 874 | ASN | 0 | -0.024 | -0.017 | 37.621 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 875 | ILE | 0 | -0.028 | -0.003 | 35.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 876 | ALA | 0 | -0.005 | -0.001 | 33.904 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 877 | SER | 0 | 0.020 | 0.004 | 36.018 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 878 | GLY | 0 | -0.005 | -0.005 | 37.768 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 879 | THR | 0 | 0.052 | 0.015 | 34.425 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 880 | SER | 0 | -0.030 | -0.017 | 33.200 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 881 | ALA | 0 | 0.053 | 0.021 | 32.261 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 882 | ASP | -1 | -0.888 | -0.939 | 32.591 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 883 | TYR | 0 | -0.020 | -0.018 | 25.297 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 884 | ILE | 0 | -0.001 | -0.003 | 28.308 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 885 | VAL | 0 | -0.005 | -0.004 | 27.812 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 886 | ASN | 0 | -0.036 | -0.011 | 26.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 887 | VAL | 0 | 0.001 | 0.006 | 23.068 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 888 | LEU | 0 | -0.073 | -0.054 | 23.288 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 889 | LYS | 1 | 0.928 | 0.975 | 23.817 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 890 | GLU | -1 | -1.001 | -1.000 | 21.618 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 891 | ARG | 1 | 0.940 | 0.981 | 18.127 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 892 | PHE | 0 | -0.084 | -0.025 | 18.579 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |