FMODB ID: J3NG9
Calculation Name: 3K8P-D-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3K8P
Chain ID: D
UniProt ID: Q12745
Base Structure: X-ray
Registration Date: 2023-06-19
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 597 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10917041.978618 |
---|---|
FMO2-HF: Nuclear repulsion | 10671973.20115 |
FMO2-HF: Total energy | -245068.777468 |
FMO2-MP2: Total energy | -245785.680079 |
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(D:30:GLY)
Summations of interaction energy for
fragment #1(D:30:GLY)
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. |
8.041 | -1.548 | 12.499 | 0.295 | -3.202 | -0.029 |
Interaction energy analysis for fragmet #1(D:30:GLY)
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 | D | 32 | GLN | 0 | 0.081 | 0.037 | 2.071 | 8.877 | -1.266 | 12.321 | 0.573 | -2.751 | -0.028 |
4 | D | 33 | SER | 0 | 0.056 | 0.033 | 4.769 | 0.517 | 0.551 | -0.001 | -0.011 | -0.021 | 0.000 |
5 | D | 34 | LYS | 1 | 0.927 | 0.953 | 2.724 | -2.823 | -2.334 | 0.180 | -0.247 | -0.421 | -0.001 |
6 | D | 35 | TYR | 0 | -0.014 | 0.000 | 4.206 | 0.115 | 0.146 | -0.001 | -0.020 | -0.009 | 0.000 |
7 | D | 36 | LEU | 0 | 0.053 | 0.023 | 5.761 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 37 | GLU | -1 | -0.814 | -0.933 | 7.972 | 1.406 | 1.406 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 38 | ILE | 0 | -0.047 | -0.027 | 7.818 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 39 | LEU | 0 | -0.004 | 0.004 | 10.137 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 40 | CYS | 0 | -0.089 | -0.006 | 12.092 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 41 | VAL | 0 | -0.013 | -0.002 | 13.607 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 42 | LEU | 0 | -0.032 | -0.027 | 12.689 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 43 | TRP | 0 | -0.047 | -0.017 | 14.975 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 44 | PRO | 0 | 0.049 | 0.016 | 17.454 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 45 | GLU | -1 | -0.907 | -0.955 | 21.193 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 46 | LEU | 0 | -0.032 | -0.021 | 22.667 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 47 | ASP | -1 | -0.843 | -0.878 | 21.957 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 48 | ASP | -1 | -0.797 | -0.883 | 24.226 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 49 | PRO | 0 | 0.036 | 0.011 | 22.467 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 50 | LYS | 1 | 0.848 | 0.904 | 21.881 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 51 | ASN | 0 | -0.099 | -0.050 | 21.402 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 52 | LEU | 0 | -0.005 | -0.020 | 16.264 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 53 | LEU | 0 | -0.043 | -0.006 | 17.924 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 54 | PHE | 0 | 0.021 | 0.016 | 13.288 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 55 | LEU | 0 | -0.031 | -0.027 | 11.622 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 56 | ARG | 1 | 0.775 | 0.894 | 14.896 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 57 | GLU | -1 | -0.862 | -0.931 | 17.607 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 58 | LEU | 0 | -0.095 | -0.039 | 11.092 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 59 | GLU | -1 | -0.918 | -0.970 | 14.095 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 60 | GLU | -1 | -0.853 | -0.928 | 15.960 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 61 | GLU | -1 | -0.893 | -0.940 | 18.535 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 62 | VAL | 0 | -0.137 | -0.049 | 15.806 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 101 | TYR | 0 | 0.019 | -0.011 | 15.890 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 102 | HIS | 0 | -0.003 | -0.010 | 9.227 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 103 | GLU | -1 | -0.854 | -0.910 | 12.022 | 1.088 | 1.088 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 104 | LEU | 0 | -0.004 | -0.003 | 13.290 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 105 | GLN | 0 | -0.047 | -0.048 | 8.929 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 106 | GLU | -1 | -0.772 | -0.874 | 11.675 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 107 | PHE | 0 | -0.011 | 0.005 | 14.828 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 108 | ILE | 0 | 0.011 | 0.014 | 9.164 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 109 | SER | 0 | 0.059 | 0.033 | 12.433 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 110 | LYS | 1 | 0.821 | 0.899 | 14.006 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 111 | LYS | 1 | 0.814 | 0.893 | 16.789 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 112 | LEU | 0 | 0.015 | 0.010 | 11.940 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 113 | ASN | 0 | -0.030 | -0.003 | 15.925 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 114 | ASN | 0 | -0.107 | -0.069 | 14.458 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 115 | LYS | 1 | 0.793 | 0.889 | 14.464 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 116 | THR | 0 | -0.011 | 0.006 | 9.301 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 117 | LEU | 0 | -0.008 | 0.002 | 9.644 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 118 | GLU | -1 | -0.932 | -0.984 | 9.510 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 119 | ASN | 0 | -0.015 | 0.006 | 10.767 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 120 | PHE | 0 | 0.086 | 0.039 | 12.533 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 121 | GLU | -1 | -0.745 | -0.849 | 14.875 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 122 | GLU | -1 | -0.933 | -0.966 | 13.833 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 123 | TRP | 0 | 0.014 | -0.034 | 12.145 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 124 | LEU | 0 | 0.002 | 0.001 | 14.672 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 125 | ARG | 1 | 0.927 | 0.973 | 18.282 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 126 | GLU | -1 | -0.818 | -0.901 | 15.641 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 127 | ARG | 1 | 0.836 | 0.897 | 16.946 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 128 | ILE | 0 | 0.003 | 0.008 | 18.564 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 129 | LEU | 0 | -0.028 | -0.020 | 21.150 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 130 | ILE | 0 | 0.002 | -0.004 | 17.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | D | 131 | CYS | 0 | -0.035 | -0.008 | 20.889 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 132 | ASN | 0 | 0.011 | 0.021 | 23.408 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 133 | GLU | -1 | -0.863 | -0.918 | 22.879 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 134 | MET | 0 | -0.035 | -0.022 | 24.802 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | D | 135 | ILE | 0 | -0.024 | -0.002 | 27.393 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | D | 136 | PRO | 0 | -0.001 | 0.003 | 29.335 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 137 | GLU | -1 | -0.890 | -0.946 | 31.153 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 138 | THR | 0 | -0.067 | -0.040 | 30.480 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 139 | PRO | 0 | 0.015 | 0.009 | 28.940 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 140 | LEU | 0 | 0.008 | -0.001 | 28.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 141 | LEU | 0 | 0.023 | 0.021 | 25.956 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 142 | TYR | 0 | 0.006 | -0.014 | 20.475 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 143 | SER | 0 | 0.038 | 0.011 | 24.881 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 144 | VAL | 0 | -0.006 | -0.004 | 24.955 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 145 | LEU | 0 | -0.007 | -0.014 | 19.461 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 146 | TRP | 0 | 0.048 | 0.025 | 22.810 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 147 | GLU | -1 | -0.952 | -0.957 | 24.713 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 148 | THR | 0 | -0.088 | -0.038 | 26.461 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 149 | ALA | 0 | 0.020 | 0.019 | 23.426 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 150 | LYS | 1 | 0.874 | 0.930 | 23.438 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 151 | SER | 0 | -0.025 | -0.039 | 23.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 152 | LYS | 1 | 0.923 | 0.958 | 23.759 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 153 | VAL | 0 | 0.060 | 0.058 | 19.146 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 154 | LEU | 0 | -0.027 | 0.008 | 19.627 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 155 | SER | 0 | -0.079 | -0.076 | 22.108 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 156 | THR | 0 | 0.010 | -0.020 | 24.026 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 157 | LYS | 1 | 0.950 | 0.975 | 24.231 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 158 | PHE | 0 | 0.037 | 0.029 | 21.373 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 159 | ILE | 0 | 0.041 | 0.010 | 24.694 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 160 | GLY | 0 | 0.005 | 0.011 | 27.847 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 161 | TRP | 0 | 0.008 | -0.015 | 23.582 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 162 | VAL | 0 | -0.007 | 0.007 | 26.862 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 163 | GLU | -1 | -0.828 | -0.919 | 29.353 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 164 | GLY | 0 | -0.034 | -0.014 | 31.581 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 165 | VAL | 0 | -0.058 | -0.032 | 29.540 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 166 | LEU | 0 | -0.003 | 0.005 | 26.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 167 | LYS | 1 | 0.844 | 0.907 | 30.906 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 168 | PRO | 0 | 0.025 | 0.028 | 34.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 169 | LEU | 0 | -0.041 | -0.003 | 31.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 170 | ASP | -1 | -0.836 | -0.917 | 33.662 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 171 | HIS | 1 | 0.851 | 0.921 | 35.441 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 172 | LEU | 0 | 0.016 | 0.022 | 38.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 173 | ASN | 0 | 0.020 | 0.002 | 34.682 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 174 | LYS | 1 | 0.802 | 0.875 | 34.983 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 175 | ARG | 1 | 0.778 | 0.886 | 40.495 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 176 | LEU | 0 | -0.062 | -0.045 | 42.631 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 177 | HIS | 0 | -0.046 | -0.013 | 42.170 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 178 | LEU | 0 | -0.030 | -0.003 | 39.500 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 179 | ILE | 0 | -0.031 | -0.034 | 35.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 180 | PHE | 0 | 0.009 | 0.012 | 34.804 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 181 | LYS | 1 | 0.897 | 0.944 | 29.276 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 182 | ILE | 0 | 0.018 | -0.012 | 26.480 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 183 | ASN | 0 | -0.035 | -0.015 | 24.971 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 184 | GLU | -1 | -0.840 | -0.924 | 28.376 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 185 | TRP | 0 | 0.034 | 0.017 | 31.870 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 186 | GLU | -1 | -0.879 | -0.941 | 27.263 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 187 | LYS | 1 | 0.824 | 0.906 | 26.160 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 188 | MET | 0 | 0.001 | 0.035 | 32.079 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 189 | PRO | 0 | -0.021 | -0.005 | 35.720 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 190 | ASP | -1 | -0.809 | -0.931 | 38.242 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 191 | SER | 0 | -0.031 | -0.035 | 39.524 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 192 | GLU | -1 | -0.948 | -1.000 | 40.314 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 193 | LEU | 0 | 0.020 | 0.014 | 36.246 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 194 | PHE | 0 | 0.012 | -0.024 | 40.423 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 195 | LYS | 1 | 0.806 | 0.889 | 43.390 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 196 | ILE | 0 | 0.000 | 0.027 | 39.710 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 197 | ILE | 0 | -0.068 | -0.031 | 39.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 198 | PHE | 0 | -0.077 | -0.049 | 44.127 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 199 | ASP | -1 | -0.956 | -0.957 | 47.894 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 211 | ALA | 0 | 0.006 | -0.005 | 49.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 212 | ASP | -1 | -0.883 | -0.949 | 45.365 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 213 | VAL | 0 | 0.054 | 0.024 | 44.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 214 | ILE | 0 | -0.028 | -0.015 | 43.993 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 215 | GLU | -1 | -0.897 | -0.949 | 44.023 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 216 | ASP | -1 | -0.886 | -0.965 | 40.004 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 217 | GLU | -1 | -0.676 | -0.791 | 39.453 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 218 | LEU | 0 | -0.040 | -0.003 | 39.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 219 | ALA | 0 | 0.017 | 0.014 | 40.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 220 | PRO | 0 | -0.012 | 0.014 | 36.859 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 221 | THR | 0 | 0.025 | 0.003 | 36.302 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 222 | LEU | 0 | -0.061 | -0.026 | 36.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 223 | SER | 0 | -0.015 | -0.019 | 37.494 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 224 | TYR | 0 | -0.015 | 0.006 | 28.430 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 225 | GLY | 0 | -0.043 | -0.024 | 33.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 226 | LYS | 1 | 0.901 | 0.949 | 34.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 227 | LYS | 1 | 0.942 | 0.979 | 35.120 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 228 | TRP | 0 | 0.069 | 0.032 | 39.933 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 229 | GLU | -1 | -0.828 | -0.915 | 43.152 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 230 | THR | 0 | 0.023 | 0.019 | 41.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 231 | PHE | 0 | 0.024 | 0.013 | 43.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 232 | ILE | 0 | -0.010 | -0.007 | 45.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 233 | THR | 0 | -0.043 | -0.033 | 47.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 234 | GLU | -1 | -0.807 | -0.861 | 45.924 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | D | 235 | PHE | 0 | -0.014 | -0.022 | 46.762 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | D | 236 | PHE | 0 | -0.028 | -0.004 | 49.916 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | D | 237 | ASN | 0 | -0.006 | -0.012 | 51.979 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | D | 238 | LYS | 1 | 0.908 | 0.926 | 54.906 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | D | 239 | GLN | 0 | -0.050 | -0.023 | 54.356 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | D | 240 | GLN | 0 | -0.003 | 0.015 | 52.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | D | 241 | PHE | 0 | -0.030 | -0.011 | 52.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 242 | SER | 0 | 0.032 | 0.017 | 58.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 243 | LEU | 0 | 0.031 | 0.007 | 60.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 244 | LYS | 1 | 0.979 | 0.998 | 62.804 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 245 | SER | 0 | 0.000 | -0.002 | 61.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 246 | ASP | -1 | -0.722 | -0.843 | 63.173 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 247 | THR | 0 | 0.003 | -0.004 | 59.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 248 | ASN | 0 | -0.011 | 0.003 | 57.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 249 | TYR | 0 | 0.041 | -0.015 | 58.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 250 | GLN | 0 | -0.008 | -0.018 | 59.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 251 | LEU | 0 | -0.053 | -0.024 | 52.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 252 | PHE | 0 | 0.028 | 0.010 | 54.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 253 | ILE | 0 | 0.020 | 0.014 | 55.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 254 | LYS | 1 | 0.928 | 0.966 | 52.744 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 255 | LEU | 0 | 0.018 | 0.011 | 48.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 256 | TYR | 0 | -0.001 | -0.018 | 50.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 257 | TYR | 0 | 0.029 | 0.004 | 51.799 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 258 | SER | 0 | -0.076 | -0.041 | 47.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 259 | LEU | 0 | -0.010 | -0.008 | 46.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 260 | GLU | -1 | -0.865 | -0.910 | 47.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 261 | LYS | 1 | 0.821 | 0.900 | 45.835 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 262 | GLY | 0 | -0.039 | -0.014 | 44.208 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 263 | VAL | 0 | -0.005 | 0.005 | 43.924 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | D | 264 | LYS | 1 | 0.884 | 0.946 | 45.229 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 265 | ASP | -1 | -0.875 | -0.930 | 42.407 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | D | 266 | ASN | 0 | -0.104 | -0.036 | 45.915 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | D | 267 | SER | 0 | 0.002 | -0.016 | 45.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 268 | GLU | -1 | -0.968 | -1.009 | 45.855 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 269 | ALA | 0 | 0.074 | 0.060 | 45.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 270 | SER | 0 | -0.009 | -0.006 | 47.362 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 271 | ARG | 1 | 1.022 | 0.994 | 50.042 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 272 | LYS | 1 | 0.887 | 0.955 | 49.472 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 273 | LEU | 0 | -0.001 | 0.010 | 50.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | D | 274 | GLN | 0 | 0.017 | -0.005 | 52.102 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 275 | SER | 0 | -0.028 | -0.028 | 54.655 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 276 | ASN | 0 | 0.031 | -0.006 | 52.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 277 | VAL | 0 | -0.004 | 0.020 | 55.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 278 | VAL | 0 | 0.020 | 0.004 | 57.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 279 | ASP | -1 | -0.814 | -0.887 | 58.095 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 280 | ILE | 0 | -0.040 | -0.023 | 55.814 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 281 | LEU | 0 | -0.008 | -0.010 | 60.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 282 | PHE | 0 | -0.001 | 0.008 | 63.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 283 | HIS | 0 | -0.071 | -0.045 | 62.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 284 | ASN | 0 | -0.043 | -0.021 | 61.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 285 | SER | 0 | 0.036 | 0.021 | 65.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 286 | GLU | -1 | -0.891 | -0.936 | 67.845 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 287 | ASN | 0 | -0.079 | -0.043 | 64.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 288 | LEU | 0 | 0.014 | 0.012 | 65.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 289 | PHE | 0 | -0.008 | -0.021 | 67.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 290 | ASN | 0 | -0.067 | -0.033 | 70.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 291 | LEU | 0 | -0.086 | -0.011 | 64.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 292 | SER | 0 | -0.036 | -0.035 | 68.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 293 | SER | 0 | -0.002 | -0.019 | 69.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 294 | LEU | 0 | 0.038 | 0.044 | 69.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 295 | THR | 0 | 0.076 | 0.027 | 70.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 296 | HIS | 0 | 0.004 | 0.007 | 65.377 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 297 | LYS | 1 | 0.823 | 0.892 | 64.592 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 298 | LEU | 0 | -0.017 | -0.005 | 66.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 299 | ASP | -1 | -0.874 | -0.934 | 67.552 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 300 | GLU | -1 | -0.906 | -0.933 | 61.585 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 301 | LEU | 0 | 0.006 | -0.016 | 61.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 302 | TRP | 0 | 0.021 | 0.014 | 63.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 303 | SER | 0 | -0.009 | -0.014 | 62.251 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | D | 304 | ILE | 0 | -0.039 | 0.002 | 57.908 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | D | 305 | LEU | 0 | 0.003 | -0.011 | 60.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | D | 306 | SER | 0 | -0.101 | -0.027 | 62.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | D | 307 | GLY | 0 | 0.001 | -0.003 | 59.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 308 | PHE | 0 | -0.094 | -0.054 | 57.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 309 | PRO | 0 | -0.020 | -0.017 | 56.671 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 310 | ASP | -1 | -0.914 | -0.950 | 59.579 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 311 | GLU | -1 | -0.970 | -0.985 | 60.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 312 | ILE | 0 | -0.034 | -0.010 | 57.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 313 | THR | 0 | -0.005 | -0.004 | 58.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 314 | ILE | 0 | -0.029 | 0.004 | 58.234 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 315 | GLU | -1 | -0.879 | -0.941 | 58.971 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 316 | GLU | -1 | -0.877 | -0.920 | 59.759 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 317 | GLN | 0 | -0.007 | -0.015 | 61.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 318 | LYS | 1 | 0.786 | 0.903 | 63.057 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 319 | THR | 0 | 0.032 | 0.004 | 63.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 320 | ILE | 0 | -0.030 | 0.002 | 63.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 321 | THR | 0 | 0.000 | -0.037 | 64.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 322 | ALA | 0 | 0.035 | 0.006 | 64.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 323 | LEU | 0 | -0.030 | -0.018 | 66.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 324 | GLU | -1 | -0.798 | -0.870 | 68.945 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 325 | MET | 0 | 0.013 | 0.018 | 63.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 326 | LYS | 1 | 0.930 | 0.965 | 68.048 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 327 | GLN | 0 | 0.038 | 0.013 | 69.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 328 | PHE | 0 | -0.007 | 0.001 | 69.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 329 | MET | 0 | 0.008 | 0.000 | 67.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 330 | GLU | -1 | -0.894 | -0.932 | 70.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 331 | PHE | 0 | 0.023 | 0.001 | 73.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 332 | PHE | 0 | -0.035 | -0.021 | 70.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 333 | ILE | 0 | -0.049 | -0.017 | 69.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 334 | LYS | 1 | 0.768 | 0.862 | 74.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 335 | CYS | 0 | -0.113 | -0.031 | 77.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 336 | SER | 0 | 0.028 | -0.021 | 78.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 337 | THR | 0 | -0.026 | -0.007 | 74.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 338 | LYS | 1 | 0.808 | 0.904 | 76.545 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 339 | PHE | 0 | -0.047 | -0.017 | 76.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 340 | SER | 0 | 0.028 | -0.014 | 71.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 341 | PHE | 0 | 0.039 | -0.009 | 65.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 342 | LYS | 1 | 0.873 | 0.951 | 66.125 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 343 | GLU | -1 | -0.824 | -0.900 | 70.217 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 344 | ILE | 0 | -0.016 | -0.003 | 72.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 345 | PHE | 0 | 0.020 | 0.005 | 68.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 346 | ALA | 0 | -0.002 | -0.010 | 71.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 347 | ILE | 0 | -0.009 | 0.004 | 74.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 348 | THR | 0 | 0.016 | 0.025 | 72.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 349 | GLN | 0 | -0.074 | -0.060 | 70.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 350 | GLU | -1 | -0.832 | -0.888 | 75.651 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 351 | GLU | -1 | -0.926 | -0.970 | 79.001 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 352 | GLU | -1 | -0.879 | -0.951 | 82.201 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 353 | SER | 0 | -0.027 | -0.008 | 84.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 354 | ALA | 0 | -0.010 | -0.007 | 82.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 355 | GLN | 0 | 0.028 | 0.009 | 79.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 356 | LEU | 0 | 0.043 | 0.021 | 83.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 357 | ALA | 0 | -0.009 | 0.004 | 86.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 358 | HIS | 1 | 0.812 | 0.886 | 80.251 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 359 | PHE | 0 | 0.034 | 0.023 | 83.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 360 | SER | 0 | 0.018 | 0.010 | 85.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 361 | SER | 0 | -0.019 | -0.022 | 85.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 362 | LEU | 0 | -0.035 | -0.005 | 81.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 363 | CYS | 0 | -0.017 | -0.008 | 84.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 364 | HIS | 0 | -0.008 | -0.002 | 87.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 365 | GLU | -1 | -0.788 | -0.861 | 83.425 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 366 | GLU | -1 | -0.757 | -0.867 | 82.487 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 367 | PHE | 0 | -0.032 | -0.025 | 86.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 368 | ASN | 0 | -0.085 | -0.067 | 89.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 369 | LYS | 1 | 0.747 | 0.874 | 82.606 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 370 | ALA | 0 | -0.025 | 0.000 | 87.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 371 | ASN | 0 | -0.042 | -0.021 | 88.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 372 | GLU | -1 | -0.855 | -0.909 | 90.355 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 373 | ILE | 0 | 0.065 | 0.052 | 90.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 374 | SER | 0 | 0.009 | -0.004 | 90.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 375 | SER | 0 | -0.067 | -0.041 | 86.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 376 | PHE | 0 | 0.072 | 0.012 | 82.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 377 | LEU | 0 | -0.019 | -0.005 | 86.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 378 | GLN | 0 | -0.007 | -0.005 | 84.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 379 | ALA | 0 | 0.027 | 0.013 | 82.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 380 | MET | 0 | 0.000 | 0.004 | 82.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 381 | TYR | 0 | -0.065 | -0.038 | 83.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 382 | GLU | -1 | -0.860 | -0.898 | 80.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 383 | THR | 0 | -0.042 | -0.035 | 77.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 384 | VAL | 0 | 0.032 | 0.020 | 79.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 385 | LEU | 0 | -0.046 | -0.029 | 81.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 386 | ASP | -1 | -0.761 | -0.839 | 81.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 387 | ILE | 0 | -0.011 | -0.018 | 83.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 388 | SER | 0 | -0.126 | -0.074 | 82.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 389 | LYS | 1 | 0.786 | 0.884 | 77.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 390 | ASP | -1 | -0.831 | -0.889 | 77.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 391 | ASP | -1 | -0.719 | -0.856 | 78.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 392 | LYS | 1 | 0.818 | 0.874 | 73.253 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 393 | ILE | 0 | -0.011 | -0.002 | 74.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | D | 394 | PHE | 0 | -0.018 | -0.028 | 76.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | D | 395 | THR | 0 | -0.036 | -0.005 | 76.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | D | 396 | ARG | 1 | 0.857 | 0.936 | 77.112 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | D | 397 | ILE | 0 | 0.001 | 0.026 | 82.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | D | 398 | SER | 0 | -0.036 | -0.048 | 85.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | D | 399 | MET | 0 | 0.016 | -0.011 | 86.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | D | 400 | ASP | -1 | -0.837 | -0.890 | 88.482 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | D | 401 | GLU | -1 | -0.819 | -0.873 | 89.207 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | D | 402 | LYS | 1 | 0.790 | 0.897 | 82.556 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | D | 403 | LEU | 0 | 0.041 | 0.005 | 89.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | D | 404 | TYR | 0 | -0.062 | -0.043 | 92.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | D | 405 | SER | 0 | -0.005 | -0.008 | 90.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | D | 406 | ILE | 0 | -0.016 | -0.003 | 88.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | D | 407 | LEU | 0 | 0.000 | 0.000 | 93.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | D | 408 | GLU | -1 | -0.760 | -0.852 | 95.922 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | D | 409 | ILE | 0 | -0.028 | -0.007 | 91.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | D | 410 | LEU | 0 | 0.023 | -0.002 | 94.356 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | D | 411 | LEU | 0 | -0.020 | 0.001 | 97.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | D | 412 | GLN | 0 | -0.037 | -0.019 | 98.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | D | 413 | MET | 0 | -0.020 | 0.000 | 93.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | D | 414 | ASN | 0 | -0.099 | -0.052 | 98.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | D | 415 | GLU | -1 | -0.846 | -0.923 | 97.092 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | D | 416 | PHE | 0 | -0.015 | -0.029 | 99.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | D | 417 | ALA | 0 | 0.024 | 0.012 | 100.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | D | 418 | TYR | 0 | 0.017 | -0.017 | 94.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | D | 419 | ILE | 0 | 0.006 | 0.016 | 97.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | D | 420 | GLU | -1 | -0.806 | -0.869 | 99.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | D | 421 | ALA | 0 | -0.008 | 0.004 | 96.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | D | 422 | ILE | 0 | 0.003 | -0.004 | 93.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | D | 423 | ILE | 0 | -0.017 | -0.019 | 96.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | D | 424 | GLU | -1 | -0.898 | -0.955 | 98.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | D | 425 | ARG | 1 | 0.872 | 0.962 | 88.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | D | 426 | PHE | 0 | -0.056 | -0.046 | 89.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | D | 427 | ASP | -1 | -0.881 | -0.920 | 94.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | D | 428 | TYR | 0 | -0.044 | -0.045 | 93.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | D | 429 | SER | 0 | -0.008 | -0.016 | 99.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | D | 430 | ASN | 0 | -0.075 | -0.061 | 103.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | D | 431 | ASN | 0 | 0.074 | 0.050 | 98.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | D | 432 | THR | 0 | -0.033 | -0.025 | 102.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | D | 433 | GLN | 0 | 0.074 | 0.035 | 97.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | D | 434 | ILE | 0 | 0.026 | 0.013 | 97.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | D | 435 | TYR | 0 | -0.005 | 0.013 | 101.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | D | 436 | GLU | -1 | -0.801 | -0.922 | 104.396 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | D | 437 | LEU | 0 | -0.040 | 0.014 | 99.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | D | 438 | LEU | 0 | 0.047 | 0.007 | 103.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | D | 439 | VAL | 0 | -0.003 | -0.009 | 105.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | D | 440 | LYS | 1 | 0.804 | 0.884 | 100.692 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | D | 441 | PHE | 0 | 0.019 | -0.005 | 100.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | D | 442 | PHE | 0 | 0.007 | 0.007 | 106.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | D | 443 | TRP | 0 | 0.032 | 0.005 | 109.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | D | 444 | HIS | 0 | -0.011 | 0.027 | 104.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | D | 445 | PHE | 0 | 0.010 | -0.003 | 104.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | D | 446 | PHE | 0 | -0.009 | -0.008 | 109.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | D | 447 | ASN | 0 | -0.048 | -0.052 | 111.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | D | 448 | ASN | 0 | -0.053 | -0.025 | 108.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | D | 449 | ALA | 0 | -0.038 | 0.006 | 111.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | D | 450 | SER | 0 | -0.062 | -0.058 | 114.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | D | 451 | ASN | 0 | -0.040 | -0.035 | 116.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | D | 452 | GLY | 0 | 0.071 | 0.007 | 118.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | D | 453 | LEU | 0 | -0.041 | -0.010 | 119.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | D | 454 | ARG | 1 | 0.921 | 0.939 | 117.669 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | D | 455 | LYS | 1 | 0.908 | 0.962 | 115.999 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | D | 456 | GLU | -1 | -0.768 | -0.851 | 114.332 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | D | 457 | PRO | 0 | -0.017 | -0.011 | 109.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | D | 458 | GLU | -1 | -0.744 | -0.871 | 108.583 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | D | 459 | MET | 0 | 0.027 | 0.029 | 111.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | D | 460 | LYS | 1 | 0.831 | 0.917 | 110.765 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | D | 461 | LYS | 1 | 0.873 | 0.953 | 105.719 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | D | 462 | ALA | 0 | 0.014 | 0.026 | 109.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | D | 463 | SER | 0 | -0.005 | -0.012 | 111.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | D | 464 | GLN | 0 | -0.036 | -0.030 | 107.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | D | 465 | THR | 0 | 0.017 | -0.008 | 106.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | D | 466 | LEU | 0 | 0.013 | 0.019 | 108.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | D | 467 | GLN | 0 | -0.029 | -0.013 | 109.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | D | 468 | ILE | 0 | 0.012 | 0.018 | 104.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | D | 469 | ILE | 0 | 0.006 | -0.007 | 107.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | D | 470 | GLN | 0 | -0.095 | -0.053 | 109.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | D | 471 | LYS | 1 | 0.767 | 0.863 | 107.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | D | 472 | HIS | 1 | 0.821 | 0.902 | 103.897 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | D | 473 | MET | 0 | -0.022 | 0.006 | 103.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | D | 474 | SER | 0 | 0.040 | 0.022 | 108.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | D | 475 | GLN | 0 | -0.038 | -0.020 | 109.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | D | 476 | ARG | 1 | 0.857 | 0.940 | 107.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | D | 477 | ALA | 0 | -0.010 | 0.008 | 110.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | D | 478 | GLY | 0 | 0.039 | 0.019 | 112.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | D | 479 | THR | 0 | -0.026 | -0.037 | 115.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | D | 480 | ASN | 0 | -0.025 | -0.017 | 113.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | D | 481 | LEU | 0 | 0.018 | 0.024 | 113.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | D | 482 | THR | 0 | 0.030 | 0.017 | 116.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | D | 483 | LYS | 1 | 0.909 | 0.957 | 119.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | D | 484 | LEU | 0 | 0.009 | 0.028 | 113.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | D | 485 | GLU | -1 | -0.868 | -0.954 | 116.223 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | D | 486 | VAL | 0 | -0.035 | -0.020 | 118.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | D | 487 | LEU | 0 | 0.031 | 0.012 | 117.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | D | 488 | LEU | 0 | -0.026 | -0.005 | 114.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | D | 489 | GLU | -1 | -0.820 | -0.881 | 119.419 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | D | 490 | ILE | 0 | -0.027 | -0.009 | 122.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | D | 491 | SER | 0 | 0.025 | 0.003 | 120.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | D | 492 | ASP | -1 | -0.831 | -0.912 | 121.421 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | D | 493 | LYS | 1 | 0.879 | 0.931 | 122.946 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | D | 494 | LEU | 0 | 0.044 | 0.016 | 125.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | D | 495 | SER | 0 | -0.016 | 0.001 | 123.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | D | 496 | HIS | 1 | 0.720 | 0.841 | 124.536 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | D | 497 | TYR | 0 | -0.020 | 0.005 | 127.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | D | 498 | SER | 0 | -0.032 | -0.015 | 128.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | D | 499 | ILE | 0 | 0.028 | 0.015 | 127.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | D | 500 | ASN | 0 | -0.030 | -0.022 | 128.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | D | 501 | LEU | 0 | 0.012 | 0.033 | 127.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | D | 502 | ASN | 0 | -0.067 | -0.040 | 124.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | D | 512 | ALA | 0 | 0.014 | 0.005 | 121.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | D | 513 | PHE | 0 | -0.005 | -0.006 | 122.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | D | 514 | LYS | 1 | 0.900 | 0.941 | 114.896 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | D | 515 | PRO | 0 | 0.042 | 0.021 | 117.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | D | 516 | SER | 0 | 0.026 | 0.014 | 116.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | D | 517 | ASN | 0 | -0.039 | -0.039 | 118.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | D | 518 | ILE | 0 | 0.003 | 0.010 | 121.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | D | 519 | LEU | 0 | -0.042 | -0.025 | 117.325 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | D | 520 | GLU | -1 | -0.882 | -0.928 | 120.446 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | D | 521 | TYR | 0 | 0.036 | 0.009 | 123.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | D | 522 | ARG | 1 | 0.821 | 0.920 | 122.786 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | D | 523 | ASP | -1 | -0.887 | -0.947 | 126.150 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | D | 524 | CYS | 0 | -0.121 | -0.049 | 128.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | D | 525 | PRO | 0 | 0.047 | 0.019 | 129.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | D | 526 | LEU | 0 | 0.032 | 0.001 | 130.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | D | 527 | ASP | -1 | -0.807 | -0.889 | 131.680 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | D | 528 | ILE | 0 | -0.047 | -0.027 | 126.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | D | 529 | ILE | 0 | -0.048 | -0.028 | 131.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | D | 530 | SER | 0 | 0.008 | 0.006 | 134.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | D | 531 | ASN | 0 | 0.081 | 0.023 | 131.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | D | 532 | LEU | 0 | -0.019 | -0.009 | 130.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | D | 533 | LEU | 0 | -0.023 | -0.011 | 134.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | D | 534 | GLU | -1 | -0.935 | -0.945 | 137.045 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | D | 535 | LEU | 0 | -0.060 | -0.021 | 132.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | D | 536 | ASN | 0 | -0.085 | -0.038 | 132.967 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | D | 537 | PRO | 0 | 0.074 | 0.030 | 136.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | D | 538 | ARG | 1 | 0.926 | 0.954 | 138.721 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | D | 539 | LEU | 0 | 0.008 | 0.008 | 135.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | D | 540 | TYR | 0 | 0.003 | -0.018 | 138.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | D | 541 | LYS | 1 | 0.816 | 0.914 | 141.880 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | D | 542 | ASP | -1 | -0.892 | -0.926 | 136.646 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | D | 543 | LEU | 0 | 0.041 | 0.020 | 138.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | D | 544 | PRO | 0 | 0.014 | -0.018 | 137.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | D | 545 | THR | 0 | -0.050 | -0.045 | 133.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | D | 546 | THR | 0 | 0.031 | 0.029 | 133.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | D | 547 | LYS | 1 | 0.868 | 0.934 | 134.330 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | D | 548 | SER | 0 | -0.097 | -0.046 | 131.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | D | 549 | LEU | 0 | -0.008 | -0.006 | 128.486 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | D | 550 | LEU | 0 | 0.045 | 0.035 | 129.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | D | 551 | PHE | 0 | -0.007 | -0.018 | 130.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | D | 552 | GLY | 0 | 0.039 | 0.030 | 127.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | D | 553 | ILE | 0 | -0.007 | -0.001 | 126.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | D | 554 | TYR | 0 | 0.016 | -0.003 | 126.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | D | 555 | ASP | -1 | -0.843 | -0.895 | 125.994 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | D | 556 | SER | 0 | -0.059 | -0.048 | 121.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | D | 557 | LEU | 0 | -0.020 | -0.001 | 121.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | D | 558 | SER | 0 | -0.066 | -0.023 | 121.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | D | 559 | ILE | 0 | -0.026 | -0.004 | 123.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | D | 560 | ASN | 0 | -0.043 | -0.034 | 127.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | D | 561 | ARG | 1 | 0.878 | 0.920 | 129.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | D | 562 | GLU | -1 | -0.845 | -0.911 | 132.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | D | 563 | GLY | 0 | -0.031 | -0.017 | 134.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | D | 564 | GLN | 0 | 0.025 | 0.008 | 135.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | D | 565 | THR | 0 | 0.005 | -0.007 | 135.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | D | 566 | GLY | 0 | 0.009 | 0.014 | 137.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | D | 567 | LYS | 1 | 0.818 | 0.872 | 140.167 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | D | 568 | VAL | 0 | 0.014 | 0.013 | 135.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | D | 569 | GLU | -1 | -0.851 | -0.922 | 138.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | D | 570 | VAL | 0 | 0.025 | 0.012 | 140.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | D | 571 | ASP | -1 | -0.773 | -0.867 | 139.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | D | 572 | LEU | 0 | -0.056 | -0.018 | 137.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | D | 573 | MET | 0 | -0.038 | -0.032 | 140.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | D | 574 | VAL | 0 | 0.023 | 0.009 | 143.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | D | 575 | LEU | 0 | 0.045 | 0.034 | 138.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | D | 576 | HIS | 0 | -0.039 | -0.039 | 139.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | D | 577 | ILE | 0 | -0.030 | 0.000 | 143.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | D | 578 | ASP | -1 | -0.808 | -0.886 | 144.307 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | D | 579 | TYR | 0 | -0.007 | -0.032 | 139.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | D | 580 | ALA | 0 | 0.003 | 0.016 | 144.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | D | 581 | LEU | 0 | -0.025 | -0.002 | 147.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | D | 582 | VAL | 0 | -0.008 | 0.017 | 144.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | D | 583 | ASN | 0 | -0.122 | -0.070 | 143.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | D | 584 | LEU | 0 | -0.050 | -0.026 | 147.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | D | 585 | ASP | -1 | -0.758 | -0.822 | 148.726 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | D | 586 | PHE | 0 | 0.047 | 0.008 | 150.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | D | 587 | GLY | 0 | 0.020 | 0.018 | 153.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | D | 588 | THR | 0 | -0.006 | -0.042 | 146.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | D | 589 | ALA | 0 | 0.015 | 0.013 | 149.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | D | 590 | TYR | 0 | 0.026 | 0.008 | 150.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | D | 591 | GLU | -1 | -0.977 | -0.988 | 150.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | D | 592 | LEU | 0 | -0.009 | -0.008 | 145.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | D | 593 | GLY | 0 | 0.050 | 0.009 | 149.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | D | 594 | LYS | 1 | 0.795 | 0.890 | 151.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | D | 595 | GLN | 0 | -0.023 | -0.019 | 146.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | D | 596 | VAL | 0 | 0.016 | 0.009 | 146.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | D | 597 | PHE | 0 | 0.032 | 0.011 | 149.224 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | D | 598 | GLU | -1 | -0.782 | -0.866 | 152.040 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | D | 599 | ILE | 0 | 0.021 | 0.014 | 145.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | D | 600 | CYS | 0 | -0.046 | -0.024 | 148.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | D | 601 | GLN | 0 | 0.062 | 0.027 | 149.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | D | 602 | GLU | -1 | -1.016 | -0.994 | 149.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | D | 603 | ALA | 0 | -0.061 | -0.028 | 146.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | D | 604 | GLY | 0 | 0.016 | 0.028 | 148.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | D | 605 | GLN | 0 | 0.012 | -0.029 | 151.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | D | 606 | HIS | 0 | -0.061 | -0.013 | 144.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | D | 607 | MET | 0 | 0.075 | 0.020 | 144.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | D | 608 | MET | 0 | -0.011 | 0.033 | 148.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | D | 609 | LYS | 1 | 0.826 | 0.892 | 150.784 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | D | 610 | ALA | 0 | -0.017 | 0.009 | 146.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | D | 611 | LEU | 0 | 0.010 | -0.011 | 148.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | D | 612 | GLY | 0 | 0.030 | 0.012 | 149.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | D | 613 | ASP | -1 | -0.844 | -0.933 | 149.063 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | D | 614 | GLU | -1 | -0.905 | -0.933 | 143.372 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | D | 615 | HIS | 0 | 0.017 | -0.011 | 143.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | D | 616 | TRP | 0 | 0.022 | 0.018 | 148.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | D | 617 | LEU | 0 | -0.017 | 0.001 | 148.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | D | 618 | THR | 0 | 0.008 | -0.018 | 147.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | D | 619 | PHE | 0 | -0.027 | -0.015 | 149.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | D | 620 | TYR | 0 | -0.003 | -0.006 | 153.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | D | 621 | GLN | 0 | -0.023 | -0.016 | 149.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | D | 622 | MET | 0 | -0.022 | 0.004 | 152.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | D | 623 | GLY | 0 | -0.003 | -0.010 | 154.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | D | 624 | LYS | 1 | 0.899 | 0.934 | 156.949 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | D | 625 | PHE | 0 | -0.046 | -0.003 | 152.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | D | 626 | VAL | 0 | 0.019 | -0.006 | 156.106 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | D | 627 | ASP | -1 | -0.797 | -0.889 | 155.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | D | 628 | PRO | 0 | -0.041 | -0.026 | 153.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | D | 629 | ASN | 0 | -0.108 | -0.066 | 152.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | D | 630 | TRP | 0 | 0.023 | 0.030 | 157.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | D | 631 | VAL | 0 | 0.004 | -0.010 | 160.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | D | 632 | ASP | -1 | -0.836 | -0.906 | 163.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | D | 633 | ASN | 0 | -0.082 | -0.040 | 161.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | D | 634 | GLU | -1 | -0.883 | -0.928 | 163.470 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | D | 635 | ILE | 0 | 0.001 | 0.003 | 161.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | D | 636 | PRO | 0 | 0.008 | 0.015 | 161.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | D | 637 | THR | 0 | 0.059 | -0.013 | 164.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | D | 638 | GLU | -1 | -0.847 | -0.947 | 161.561 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | D | 639 | ILE | 0 | -0.021 | -0.011 | 158.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | D | 640 | ILE | 0 | 0.038 | 0.035 | 161.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | D | 641 | VAL | 0 | -0.022 | -0.006 | 164.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | D | 642 | LEU | 0 | -0.043 | -0.014 | 158.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | D | 643 | GLN | 0 | -0.028 | -0.023 | 158.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | D | 644 | MET | 0 | -0.014 | 0.009 | 160.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | D | 645 | SER | 0 | -0.057 | -0.020 | 161.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | D | 646 | ILE | 0 | 0.019 | -0.004 | 155.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | D | 647 | LEU | 0 | 0.000 | 0.002 | 158.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | D | 648 | GLY | 0 | 0.005 | 0.005 | 160.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | D | 649 | ARG | 1 | 0.786 | 0.872 | 155.870 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | D | 650 | LEU | 0 | -0.024 | -0.007 | 154.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | D | 651 | LEU | 0 | -0.036 | -0.023 | 158.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | D | 652 | GLU | -1 | -1.018 | -0.989 | 158.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | D | 653 | VAL | 0 | -0.041 | -0.030 | 154.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | D | 654 | CYS | 0 | -0.041 | 0.004 | 154.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | D | 655 | PRO | 0 | 0.029 | 0.027 | 153.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | D | 656 | LEU | 0 | 0.009 | -0.014 | 155.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | D | 657 | GLU | -1 | -0.943 | -0.981 | 154.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | D | 658 | GLU | -1 | -0.885 | -0.948 | 155.405 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | D | 659 | VAL | 0 | -0.018 | -0.009 | 158.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | D | 660 | GLU | -1 | -0.932 | -0.949 | 161.945 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | D | 661 | ILE | 0 | 0.032 | 0.015 | 157.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | D | 662 | VAL | 0 | 0.038 | 0.022 | 158.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | D | 663 | THR | 0 | -0.009 | -0.019 | 161.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | D | 664 | SER | 0 | -0.054 | -0.035 | 164.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | D | 665 | GLN | 0 | 0.011 | 0.029 | 161.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | D | 666 | TRP | 0 | 0.016 | 0.006 | 164.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | D | 667 | SER | 0 | -0.016 | -0.012 | 165.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | D | 668 | THR | 0 | -0.051 | -0.039 | 166.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | D | 669 | LEU | 0 | -0.040 | -0.018 | 162.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | D | 670 | GLU | -1 | -0.943 | -0.983 | 167.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | D | 671 | LEU | 0 | 0.009 | 0.001 | 170.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | D | 672 | GLU | -1 | -0.822 | -0.872 | 168.369 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | D | 673 | LEU | 0 | 0.003 | 0.000 | 168.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | D | 674 | SER | 0 | -0.137 | -0.069 | 171.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | D | 675 | ALA | 0 | -0.025 | -0.013 | 173.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | D | 676 | ARG | 1 | 0.768 | 0.868 | 167.275 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | D | 677 | ASP | -1 | -0.868 | -0.929 | 174.281 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | D | 678 | LEU | 0 | 0.047 | 0.001 | 171.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | D | 679 | VAL | 0 | -0.103 | -0.034 | 173.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | D | 680 | LYS | 1 | 0.772 | 0.864 | 175.144 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | D | 681 | ASP | -1 | -0.747 | -0.843 | 170.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | D | 682 | LYS | 1 | 0.744 | 0.887 | 169.395 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | D | 683 | TYR | 0 | -0.029 | -0.038 | 166.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | D | 684 | ALA | 0 | -0.047 | 0.002 | 163.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |