FMODB ID: LN8G9
Calculation Name: 4B7O-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4B7O
Chain ID: A
UniProt ID: Q841A2
Base Structure: X-ray
Registration Date: 2023-09-24
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 | 656 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15609232.321199 |
---|---|
FMO2-HF: Nuclear repulsion | 15357137.158635 |
FMO2-HF: Total energy | -252095.162564 |
FMO2-MP2: Total energy | -252846.888834 |
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:61:ASP)
Summations of interaction energy for
fragment #1(A:61:ASP)
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. |
-250.429 | -245.884 | 25.41 | -15.766 | -14.191 | 0.161 |
Interaction energy analysis for fragmet #1(A:61:ASP)
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 | 63 | GLN | 0 | 0.023 | -0.009 | 3.684 | -10.165 | -6.187 | -0.047 | -2.097 | -1.835 | 0.001 |
4 | A | 64 | GLY | 0 | 0.030 | 0.026 | 5.270 | -2.739 | -2.739 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 65 | SER | 0 | -0.013 | -0.027 | 4.331 | 6.002 | 6.059 | -0.001 | -0.014 | -0.043 | 0.000 |
6 | A | 66 | LYS | 1 | 0.742 | 0.881 | 6.454 | -25.941 | -25.941 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 67 | ILE | 0 | -0.020 | -0.025 | 3.760 | -4.934 | -4.327 | 0.007 | -0.221 | -0.393 | 0.001 |
8 | A | 68 | ARG | 1 | 0.897 | 0.965 | 2.299 | -43.524 | -40.176 | 3.434 | -3.540 | -3.242 | 0.029 |
9 | A | 69 | THR | 0 | -0.027 | -0.057 | 1.738 | -61.000 | -65.300 | 22.001 | -9.525 | -8.176 | 0.127 |
10 | A | 70 | ASN | 0 | -0.040 | -0.031 | 3.833 | -1.958 | -1.276 | 0.014 | -0.321 | -0.375 | 0.003 |
11 | A | 71 | ILE | 0 | -0.015 | 0.005 | 5.466 | -1.877 | -1.877 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 72 | VAL | 0 | -0.010 | -0.002 | 7.011 | -3.795 | -3.795 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 73 | THR | 0 | 0.053 | 0.021 | 10.295 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 74 | LEU | 0 | 0.017 | 0.007 | 11.901 | -1.462 | -1.462 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 75 | GLN | 0 | -0.030 | -0.038 | 14.708 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 76 | GLN | 0 | 0.066 | 0.035 | 9.969 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 77 | LYS | 1 | 0.813 | 0.903 | 15.150 | -19.024 | -19.024 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 78 | ASP | -1 | -0.830 | -0.886 | 16.923 | 14.214 | 14.214 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 79 | GLU | -1 | -0.793 | -0.844 | 18.285 | 15.698 | 15.698 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 80 | SER | 0 | 0.010 | 0.003 | 17.939 | -0.595 | -0.595 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 81 | THR | 0 | 0.045 | 0.011 | 20.061 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 82 | ALA | 0 | -0.045 | -0.006 | 19.202 | -0.513 | -0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 83 | THR | 0 | 0.024 | 0.005 | 21.346 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 84 | ASP | -1 | -0.837 | -0.927 | 21.151 | 14.249 | 14.249 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 85 | MET | 0 | 0.011 | -0.009 | 16.208 | 1.002 | 1.002 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 86 | ARG | 1 | 0.822 | 0.920 | 16.902 | -12.518 | -12.518 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 87 | GLU | -1 | -0.812 | -0.898 | 18.386 | 14.788 | 14.788 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 88 | LEU | 0 | -0.019 | -0.007 | 14.394 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 89 | LEU | 0 | -0.018 | -0.003 | 11.227 | 1.538 | 1.538 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 90 | LYS | 1 | 0.813 | 0.883 | 13.953 | -14.340 | -14.340 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 91 | GLU | -1 | -0.741 | -0.841 | 12.880 | 20.382 | 20.382 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 92 | GLU | -1 | -0.816 | -0.858 | 8.995 | 32.464 | 32.464 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 93 | PRO | 0 | 0.001 | 0.010 | 11.515 | -1.275 | -1.275 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 94 | SER | 0 | -0.036 | -0.044 | 11.575 | -1.104 | -1.104 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 95 | ILE | 0 | -0.001 | -0.001 | 11.330 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 96 | ASP | -1 | -0.839 | -0.878 | 14.965 | 14.541 | 14.541 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 97 | PHE | 0 | 0.031 | 0.018 | 16.138 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 98 | GLY | 0 | -0.022 | 0.000 | 20.993 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 99 | GLY | 0 | 0.013 | -0.009 | 24.703 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 100 | GLY | 0 | 0.030 | 0.023 | 27.248 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 101 | ASN | 0 | 0.027 | 0.008 | 27.170 | 1.024 | 1.024 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 102 | GLY | 0 | 0.070 | 0.011 | 26.763 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 103 | THR | 0 | -0.049 | -0.039 | 26.212 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 104 | SER | 0 | -0.025 | -0.018 | 27.726 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 105 | GLN | 0 | -0.096 | -0.009 | 22.822 | 0.425 | 0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 106 | PHE | 0 | 0.025 | 0.007 | 23.972 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 107 | LEU | 0 | 0.024 | 0.017 | 16.228 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 108 | THR | 0 | -0.064 | -0.047 | 19.129 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 109 | LEU | 0 | 0.040 | 0.024 | 11.971 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 110 | ARG | 1 | 0.785 | 0.865 | 10.510 | -25.485 | -25.485 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 111 | GLY | 0 | 0.010 | 0.021 | 16.687 | -0.804 | -0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 112 | MET | 0 | -0.049 | -0.014 | 18.803 | -1.173 | -1.173 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 113 | GLY | 0 | 0.080 | 0.029 | 19.446 | 0.778 | 0.778 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 114 | GLN | 0 | 0.019 | -0.007 | 20.498 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 115 | ASN | 0 | -0.036 | -0.005 | 21.887 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 116 | SER | 0 | -0.042 | -0.051 | 20.900 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 117 | VAL | 0 | -0.057 | 0.003 | 15.775 | 0.712 | 0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 118 | ASP | -1 | -0.819 | -0.882 | 17.085 | 16.097 | 16.097 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 119 | ILE | 0 | 0.010 | -0.012 | 16.290 | 1.195 | 1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 120 | LYS | 1 | 0.872 | 0.948 | 14.452 | -21.420 | -21.420 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 121 | VAL | 0 | 0.020 | 0.014 | 15.321 | 1.353 | 1.353 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 122 | ASP | -1 | -0.795 | -0.868 | 16.350 | 17.326 | 17.326 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 123 | ASN | 0 | -0.040 | -0.013 | 15.853 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 124 | ALA | 0 | 0.037 | 0.035 | 17.159 | -0.821 | -0.821 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 125 | TYR | 0 | -0.019 | -0.035 | 18.294 | 0.703 | 0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 126 | SER | 0 | -0.025 | -0.013 | 21.135 | -0.500 | -0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 127 | ASP | -1 | -0.769 | -0.863 | 23.232 | 13.094 | 13.094 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 128 | SER | 0 | -0.016 | 0.000 | 24.774 | -0.372 | -0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 129 | GLN | 0 | -0.070 | -0.053 | 27.308 | 0.791 | 0.791 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 130 | ILE | 0 | 0.025 | 0.005 | 29.306 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 131 | LEU | 0 | 0.013 | -0.001 | 31.533 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 132 | TYR | 0 | 0.038 | 0.022 | 31.108 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 133 | HIS | 0 | -0.088 | -0.050 | 31.332 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 134 | GLN | 0 | -0.028 | -0.008 | 29.724 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 135 | GLY | 0 | 0.065 | 0.041 | 25.781 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 136 | ARG | 1 | 0.737 | 0.848 | 23.527 | -13.037 | -13.037 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 137 | PHE | 0 | -0.048 | -0.030 | 23.767 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 138 | ILE | 0 | -0.017 | -0.007 | 19.010 | 0.707 | 0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 139 | VAL | 0 | -0.030 | -0.006 | 18.071 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 140 | ASP | -1 | -0.705 | -0.833 | 20.144 | 14.410 | 14.410 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 141 | PRO | 0 | -0.023 | -0.020 | 17.508 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 142 | ALA | 0 | -0.004 | 0.000 | 18.966 | 0.620 | 0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 143 | LEU | 0 | 0.018 | 0.011 | 20.855 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 144 | VAL | 0 | -0.067 | -0.021 | 15.273 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 145 | LYS | 1 | 0.799 | 0.881 | 14.096 | -20.539 | -20.539 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 146 | VAL | 0 | -0.026 | -0.008 | 9.449 | 0.689 | 0.689 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 147 | VAL | 0 | -0.037 | -0.017 | 10.518 | -1.892 | -1.892 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 148 | SER | 0 | 0.008 | 0.009 | 6.492 | 5.707 | 5.707 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 149 | VAL | 0 | -0.032 | -0.020 | 6.472 | -6.384 | -6.384 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 150 | GLN | 0 | 0.018 | 0.015 | 7.028 | 6.781 | 6.781 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 151 | LYS | 1 | 0.852 | 0.975 | 8.412 | -36.805 | -36.805 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 152 | GLY | 0 | -0.007 | -0.005 | 11.600 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 153 | ALA | 0 | 0.003 | 0.005 | 14.338 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 154 | GLY | 0 | -0.005 | 0.004 | 12.583 | 1.381 | 1.381 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 155 | SER | 0 | -0.036 | -0.037 | 12.395 | -0.788 | -0.788 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 156 | ALA | 0 | 0.015 | -0.005 | 14.070 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 157 | SER | 0 | -0.015 | -0.044 | 13.791 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 158 | ALA | 0 | -0.062 | -0.010 | 13.521 | 0.474 | 0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 159 | GLY | 0 | 0.023 | 0.010 | 14.584 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 160 | ILE | 0 | -0.025 | -0.015 | 17.878 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 161 | GLY | 0 | 0.047 | 0.012 | 19.633 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 162 | ALA | 0 | -0.002 | 0.038 | 15.558 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 163 | THR | 0 | 0.047 | 0.000 | 17.154 | 0.604 | 0.604 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 164 | ASN | 0 | -0.019 | -0.011 | 16.653 | -0.754 | -0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 165 | GLY | 0 | 0.064 | 0.003 | 13.505 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 166 | ALA | 0 | -0.021 | -0.029 | 12.569 | -2.035 | -2.035 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 167 | ILE | 0 | 0.010 | 0.018 | 11.767 | 2.449 | 2.449 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 168 | ILE | 0 | -0.035 | -0.002 | 9.963 | -2.245 | -2.245 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 169 | ALA | 0 | 0.031 | 0.003 | 11.415 | 1.917 | 1.917 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 170 | LYS | 1 | 0.966 | 0.984 | 10.681 | -27.389 | -27.389 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 171 | THR | 0 | 0.015 | -0.033 | 14.841 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 172 | VAL | 0 | -0.013 | -0.008 | 17.605 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 173 | ASP | -1 | -0.799 | -0.883 | 18.873 | 16.476 | 16.476 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 174 | ALA | 0 | 0.059 | 0.023 | 20.692 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 175 | GLN | 0 | 0.063 | 0.033 | 18.782 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 176 | ASP | -1 | -0.794 | -0.908 | 16.655 | 19.754 | 19.754 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 177 | LEU | 0 | -0.026 | -0.003 | 19.308 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 178 | LEU | 0 | -0.061 | -0.018 | 22.608 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 179 | LYS | 1 | 0.838 | 0.924 | 16.512 | -18.994 | -18.994 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 180 | GLY | 0 | -0.026 | -0.008 | 21.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 181 | LEU | 0 | -0.068 | -0.037 | 24.110 | -0.571 | -0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 182 | ASP | -1 | -0.838 | -0.926 | 26.882 | 11.283 | 11.283 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 183 | LYS | 1 | 0.811 | 0.917 | 29.302 | -10.465 | -10.465 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 184 | ASN | 0 | 0.033 | 0.010 | 28.678 | 0.640 | 0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 185 | TRP | 0 | 0.086 | 0.033 | 29.559 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 186 | GLY | 0 | 0.008 | -0.009 | 29.557 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 187 | VAL | 0 | 0.010 | 0.015 | 30.317 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 188 | ARG | 1 | 0.827 | 0.900 | 22.555 | -13.498 | -13.498 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 189 | LEU | 0 | 0.009 | 0.016 | 28.536 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 190 | ASN | 0 | -0.006 | -0.018 | 26.768 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 191 | SER | 0 | -0.026 | -0.019 | 28.805 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 192 | GLY | 0 | 0.036 | 0.023 | 28.614 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 193 | PHE | 0 | -0.027 | -0.006 | 29.504 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 194 | ALA | 0 | 0.024 | 0.006 | 29.378 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 195 | SER | 0 | 0.036 | 0.017 | 31.225 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 196 | ASN | 0 | -0.090 | -0.032 | 31.837 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 197 | GLU | -1 | -0.857 | -0.959 | 31.189 | 8.891 | 8.891 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 198 | GLY | 0 | -0.041 | -0.011 | 31.957 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 199 | VAL | 0 | -0.012 | 0.019 | 32.364 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 200 | SER | 0 | -0.026 | -0.009 | 28.506 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 201 | TYR | 0 | 0.007 | -0.003 | 30.233 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 202 | GLY | 0 | 0.030 | 0.027 | 28.537 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 203 | ALA | 0 | -0.029 | 0.001 | 29.609 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 204 | SER | 0 | 0.004 | 0.009 | 25.955 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 205 | VAL | 0 | 0.049 | 0.030 | 28.803 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 206 | PHE | 0 | -0.002 | -0.013 | 26.326 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 207 | GLY | 0 | 0.053 | 0.015 | 27.926 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 208 | LYS | 1 | 0.804 | 0.908 | 25.492 | -11.987 | -11.987 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 209 | GLU | -1 | -0.892 | -0.945 | 28.374 | 9.051 | 9.051 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 210 | GLY | 0 | 0.082 | 0.065 | 31.463 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 211 | ASN | 0 | 0.009 | -0.012 | 28.390 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 212 | PHE | 0 | 0.016 | -0.015 | 28.189 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 213 | ASP | -1 | -0.864 | -0.891 | 24.174 | 13.614 | 13.614 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 214 | GLY | 0 | 0.019 | 0.014 | 27.241 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 215 | LEU | 0 | -0.063 | -0.032 | 23.106 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 216 | PHE | 0 | -0.002 | 0.002 | 27.215 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 217 | SER | 0 | -0.008 | -0.033 | 25.968 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 218 | TYR | 0 | 0.026 | 0.029 | 27.935 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 219 | ASN | 0 | 0.002 | -0.013 | 25.967 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 220 | ARG | 1 | 0.775 | 0.861 | 28.548 | -9.333 | -9.333 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 221 | ASN | 0 | -0.033 | -0.052 | 26.673 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 222 | ASP | -1 | -0.840 | -0.894 | 29.950 | 8.950 | 8.950 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 223 | GLU | -1 | -0.769 | -0.853 | 27.775 | 11.589 | 11.589 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 224 | LYS | 1 | 0.890 | 0.922 | 32.742 | -8.886 | -8.886 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 225 | GLU | -1 | -0.872 | -0.907 | 33.944 | 8.502 | 8.502 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 226 | TYR | 0 | 0.011 | 0.010 | 30.657 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 227 | GLU | -1 | -0.831 | -0.932 | 33.774 | 8.188 | 8.188 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 228 | ALA | 0 | 0.002 | 0.016 | 32.732 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 229 | GLY | 0 | 0.045 | 0.013 | 33.121 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 230 | LYS | 1 | 0.899 | 0.933 | 34.112 | -8.252 | -8.252 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 231 | GLY | 0 | -0.011 | -0.009 | 37.192 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 232 | PHE | 0 | -0.020 | 0.004 | 36.257 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 233 | ARG | 1 | 0.852 | 0.911 | 38.388 | -7.420 | -7.420 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 234 | ASN | 0 | -0.006 | -0.003 | 40.929 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 235 | PHE | 0 | 0.052 | 0.023 | 41.827 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 236 | ASN | 0 | 0.018 | 0.012 | 44.373 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 237 | GLY | 0 | 0.032 | 0.019 | 45.088 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 238 | GLY | 0 | 0.024 | 0.019 | 43.085 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 239 | LYS | 1 | 0.858 | 0.909 | 38.618 | -8.025 | -8.025 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 240 | THR | 0 | 0.028 | -0.001 | 37.179 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 241 | VAL | 0 | -0.002 | 0.011 | 33.464 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 242 | PRO | 0 | -0.009 | 0.008 | 36.475 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 243 | TYR | 0 | -0.037 | -0.033 | 37.244 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 244 | SER | 0 | -0.031 | -0.037 | 32.672 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 245 | ALA | 0 | 0.014 | 0.019 | 32.666 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 246 | LEU | 0 | -0.054 | -0.035 | 29.772 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 247 | ASP | -1 | -0.743 | -0.807 | 32.330 | 9.471 | 9.471 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 248 | LYS | 1 | 0.828 | 0.890 | 25.863 | -12.058 | -12.058 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 249 | ARG | 1 | 0.841 | 0.881 | 30.146 | -9.240 | -9.240 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 250 | SER | 0 | -0.013 | -0.017 | 25.427 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 251 | TYR | 0 | -0.043 | -0.037 | 27.957 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 252 | LEU | 0 | -0.021 | -0.017 | 22.281 | 0.315 | 0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 253 | ALA | 0 | 0.023 | 0.015 | 26.479 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 254 | LYS | 1 | 0.823 | 0.891 | 19.664 | -16.032 | -16.032 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 255 | ILE | 0 | -0.001 | 0.003 | 26.264 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 256 | GLY | 0 | 0.032 | 0.009 | 25.127 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 257 | THR | 0 | -0.026 | -0.002 | 26.158 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 258 | THR | 0 | -0.010 | -0.009 | 23.893 | 0.719 | 0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 259 | PHE | 0 | 0.020 | -0.005 | 26.459 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 260 | GLY | 0 | 0.026 | 0.008 | 27.300 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 261 | ASP | -1 | -0.901 | -0.964 | 27.929 | 10.598 | 10.598 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 262 | GLY | 0 | -0.031 | 0.002 | 24.929 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 263 | ASP | -1 | -0.834 | -0.906 | 23.137 | 13.666 | 13.666 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 264 | HIS | 0 | 0.023 | 0.027 | 23.624 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 265 | ARG | 1 | 0.826 | 0.884 | 20.290 | -14.963 | -14.963 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 266 | ILE | 0 | -0.017 | 0.002 | 23.600 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 267 | VAL | 0 | 0.006 | -0.001 | 21.296 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 268 | LEU | 0 | -0.006 | 0.008 | 24.322 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 269 | SER | 0 | -0.002 | -0.018 | 23.578 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 270 | HIS | 0 | -0.066 | -0.036 | 25.884 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 271 | MET | 0 | 0.020 | 0.027 | 22.219 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 272 | GLU | -1 | -0.795 | -0.852 | 26.448 | 10.030 | 10.030 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 273 | ASP | -1 | -0.799 | -0.919 | 23.979 | 13.502 | 13.502 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 274 | GLN | 0 | -0.008 | -0.016 | 27.318 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 275 | HIS | 0 | -0.036 | -0.010 | 25.976 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 276 | ARG | 1 | 0.853 | 0.918 | 31.245 | -9.344 | -9.344 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 277 | GLY | 0 | 0.067 | 0.035 | 34.908 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 278 | ILE | 0 | -0.022 | 0.007 | 37.050 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 279 | ARG | 1 | 0.840 | 0.898 | 30.921 | -9.886 | -9.886 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 280 | THR | 0 | 0.062 | 0.031 | 36.646 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 281 | VAL | 0 | -0.023 | 0.008 | 37.425 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 282 | ARG | 1 | 0.905 | 0.947 | 35.904 | -7.895 | -7.895 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 283 | GLU | -1 | -0.722 | -0.803 | 31.520 | 10.172 | 10.172 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 284 | GLU | -1 | -0.750 | -0.844 | 31.185 | 10.136 | 10.136 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 285 | PHE | 0 | -0.072 | -0.051 | 32.228 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 286 | THR | 0 | 0.034 | 0.027 | 35.497 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 287 | VAL | 0 | -0.010 | 0.006 | 37.674 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 302 | PRO | 0 | 0.043 | 0.009 | 41.874 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 303 | TYR | 0 | -0.063 | -0.057 | 38.845 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 304 | ARG | 1 | 0.812 | 0.880 | 35.104 | -9.022 | -9.022 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 305 | GLU | -1 | -0.778 | -0.859 | 35.166 | 8.881 | 8.881 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 306 | THR | 0 | -0.008 | -0.011 | 30.155 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 307 | THR | 0 | -0.005 | -0.001 | 30.293 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 308 | GLN | 0 | -0.014 | -0.001 | 22.729 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 309 | SER | 0 | -0.022 | -0.054 | 27.606 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 310 | ASN | 0 | -0.009 | -0.015 | 22.010 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 311 | THR | 0 | 0.028 | 0.032 | 26.131 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 312 | ASN | 0 | 0.007 | -0.014 | 20.923 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 313 | LEU | 0 | 0.026 | 0.026 | 24.824 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 314 | ALA | 0 | -0.013 | -0.015 | 20.244 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 315 | TYR | 0 | -0.008 | -0.030 | 22.193 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 316 | THR | 0 | -0.070 | -0.052 | 17.904 | 1.057 | 1.057 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 317 | GLY | 0 | 0.048 | 0.040 | 20.917 | -0.333 | -0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 318 | LYS | 1 | 0.756 | 0.876 | 19.568 | -13.130 | -13.130 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 319 | ASP | -1 | -0.859 | -0.919 | 22.023 | 13.259 | 13.259 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 320 | LEU | 0 | 0.008 | 0.003 | 24.442 | -0.568 | -0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 321 | GLY | 0 | 0.000 | -0.003 | 26.801 | -0.265 | -0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 322 | PHE | 0 | -0.001 | -0.005 | 26.722 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 323 | VAL | 0 | -0.058 | 0.000 | 22.928 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 324 | GLU | -1 | -0.775 | -0.883 | 17.950 | 16.634 | 16.634 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 325 | LYS | 1 | 0.967 | 0.968 | 14.359 | -20.425 | -20.425 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 326 | LEU | 0 | -0.016 | 0.007 | 19.851 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 327 | ASP | -1 | -0.934 | -0.961 | 16.409 | 19.604 | 19.604 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 328 | ALA | 0 | 0.027 | 0.001 | 19.436 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 329 | ASN | 0 | -0.021 | -0.010 | 20.357 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 330 | ALA | 0 | -0.012 | -0.004 | 22.341 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 331 | TYR | 0 | 0.034 | 0.022 | 22.494 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 332 | VAL | 0 | -0.033 | -0.026 | 25.880 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 333 | LEU | 0 | 0.004 | -0.004 | 23.030 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 334 | GLU | -1 | -0.805 | -0.856 | 27.229 | 9.409 | 9.409 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 335 | LYS | 1 | 0.951 | 0.994 | 25.999 | -12.029 | -12.029 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 336 | LYS | 1 | 0.879 | 0.929 | 30.150 | -10.278 | -10.278 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 337 | ARG | 1 | 0.797 | 0.875 | 33.180 | -8.407 | -8.407 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 338 | TYR | 0 | 0.037 | 0.021 | 35.357 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 339 | SER | 0 | -0.036 | -0.023 | 38.510 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 340 | ALA | 0 | 0.042 | 0.019 | 40.827 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 341 | ASP | -1 | -0.775 | -0.911 | 43.888 | 6.630 | 6.630 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 342 | ASP | -1 | -0.714 | -0.819 | 41.663 | 8.183 | 8.183 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 343 | LYS | 1 | 0.907 | 0.980 | 44.746 | -6.580 | -6.580 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 344 | ASP | -1 | -0.842 | -0.905 | 46.169 | 6.697 | 6.697 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 345 | ASN | 0 | -0.096 | -0.059 | 39.674 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 346 | GLY | 0 | 0.064 | 0.021 | 43.856 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 347 | TYR | 0 | -0.096 | -0.048 | 39.032 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 348 | ALA | 0 | -0.013 | -0.021 | 40.769 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 349 | GLY | 0 | 0.035 | 0.023 | 41.988 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 350 | ASN | 0 | -0.070 | -0.032 | 45.281 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 351 | VAL | 0 | 0.004 | 0.008 | 45.265 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 352 | VAL | 0 | 0.000 | -0.003 | 47.248 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 353 | GLY | 0 | 0.001 | 0.009 | 48.398 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 354 | PRO | 0 | 0.009 | -0.012 | 44.801 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 355 | ASN | 0 | -0.046 | -0.018 | 41.898 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 356 | HIS | 0 | -0.018 | -0.003 | 39.851 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 357 | THR | 0 | -0.031 | -0.031 | 36.085 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 358 | ARG | 1 | 0.856 | 0.899 | 34.506 | -8.831 | -8.831 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 359 | ILE | 0 | -0.025 | -0.005 | 30.270 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 360 | THR | 0 | -0.027 | -0.017 | 31.257 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 361 | THR | 0 | -0.013 | -0.017 | 25.680 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 362 | ARG | 1 | 0.963 | 0.984 | 28.187 | -9.753 | -9.753 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 363 | GLY | 0 | 0.022 | 0.013 | 25.068 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 364 | MET | 0 | -0.046 | -0.007 | 24.487 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 365 | ASN | 0 | -0.065 | -0.030 | 20.132 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 366 | PHE | 0 | 0.041 | 0.028 | 22.204 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 367 | ASN | 0 | -0.037 | -0.001 | 17.563 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 368 | PHE | 0 | 0.026 | -0.005 | 19.857 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 369 | ASP | -1 | -0.771 | -0.859 | 15.952 | 19.918 | 19.918 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 370 | SER | 0 | 0.036 | 0.010 | 19.508 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 371 | ARG | 1 | 0.866 | 0.922 | 16.954 | -15.991 | -15.991 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 372 | LEU | 0 | -0.047 | -0.019 | 21.320 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 373 | ALA | 0 | 0.018 | 0.003 | 21.824 | -0.624 | -0.624 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 374 | GLU | -1 | -0.936 | -0.970 | 20.372 | 13.910 | 13.910 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 375 | GLN | 0 | -0.020 | -0.008 | 15.799 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 376 | THR | 0 | -0.028 | -0.010 | 17.412 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 377 | LEU | 0 | -0.025 | -0.002 | 14.467 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 378 | LEU | 0 | 0.002 | 0.006 | 17.667 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 379 | LYS | 1 | 0.821 | 0.879 | 13.251 | -20.842 | -20.842 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 380 | TYR | 0 | -0.005 | -0.019 | 18.490 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 381 | GLY | 0 | 0.057 | 0.034 | 21.142 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 382 | ILE | 0 | -0.049 | -0.026 | 22.264 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 383 | ASN | 0 | 0.008 | -0.002 | 19.602 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 384 | TYR | 0 | 0.027 | 0.013 | 23.495 | -0.588 | -0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 385 | ARG | 1 | 0.818 | 0.885 | 22.941 | -13.203 | -13.203 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 386 | HIS | 0 | -0.020 | -0.018 | 26.705 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 387 | GLN | 0 | -0.006 | 0.000 | 27.066 | 0.326 | 0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 388 | GLU | -1 | -0.799 | -0.910 | 30.763 | 8.506 | 8.506 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 389 | ILE | 0 | -0.018 | 0.009 | 32.742 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 390 | LYS | 1 | 0.821 | 0.917 | 35.327 | -9.334 | -9.334 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 391 | PRO | 0 | 0.013 | 0.001 | 38.514 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 392 | GLN | 0 | 0.013 | 0.016 | 40.459 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 393 | ALA | 0 | 0.034 | 0.011 | 43.412 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 394 | PHE | 0 | -0.057 | -0.039 | 42.015 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 395 | LEU | 0 | 0.018 | 0.003 | 46.014 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 396 | ASN | 0 | -0.046 | -0.025 | 47.738 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 397 | GLY | 0 | 0.038 | 0.018 | 49.203 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 398 | GLU | -1 | -0.848 | -0.908 | 50.471 | 6.391 | 6.391 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 399 | PHE | 0 | -0.068 | -0.034 | 48.267 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 400 | GLU | -1 | -0.948 | -0.982 | 51.154 | 5.822 | 5.822 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 401 | ILE | 0 | -0.072 | -0.025 | 51.389 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 402 | SER | 0 | 0.003 | 0.013 | 52.695 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 418 | THR | 0 | -0.077 | -0.060 | 58.151 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 419 | ASP | -1 | -0.894 | -0.965 | 58.079 | 5.633 | 5.633 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 420 | GLU | -1 | -0.944 | -0.970 | 60.875 | 5.229 | 5.229 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 421 | GLU | -1 | -0.889 | -0.923 | 60.464 | 5.350 | 5.350 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 422 | LYS | 1 | 1.045 | 1.024 | 59.411 | -5.251 | -5.251 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 423 | ALA | 0 | -0.073 | -0.036 | 60.301 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 424 | LYS | 1 | 0.807 | 0.878 | 54.099 | -6.000 | -6.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 425 | ASP | -1 | -0.813 | -0.916 | 55.206 | 6.011 | 6.011 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 426 | LYS | 1 | 0.910 | 0.959 | 56.377 | -5.247 | -5.247 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 427 | LYS | 1 | 0.935 | 0.970 | 57.016 | -5.602 | -5.602 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 428 | ASP | -1 | -0.784 | -0.893 | 52.740 | 6.215 | 6.215 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 429 | MET | 0 | 0.015 | 0.032 | 53.830 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 430 | ASP | -1 | -0.866 | -0.923 | 54.843 | 5.557 | 5.557 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 431 | LEU | 0 | -0.023 | -0.009 | 51.883 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 432 | VAL | 0 | -0.058 | -0.036 | 49.113 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 433 | HIS | 0 | -0.011 | -0.008 | 51.277 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 434 | SER | 0 | -0.051 | -0.028 | 53.782 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 435 | TYR | 0 | -0.030 | -0.023 | 47.880 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 436 | LYS | 1 | 0.874 | 0.939 | 49.880 | -6.107 | -6.107 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 437 | LEU | 0 | -0.037 | -0.001 | 44.668 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 438 | SER | 0 | 0.025 | 0.023 | 43.604 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 439 | ASN | 0 | 0.008 | -0.029 | 38.848 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 440 | PRO | 0 | -0.047 | -0.001 | 36.396 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 441 | THR | 0 | 0.006 | -0.010 | 34.548 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 442 | LYS | 1 | 0.787 | 0.874 | 27.060 | -11.941 | -11.941 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 443 | THR | 0 | -0.063 | -0.014 | 30.559 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 444 | ASP | -1 | -0.750 | -0.839 | 26.014 | 12.034 | 12.034 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 445 | THR | 0 | -0.029 | -0.032 | 27.122 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 446 | GLY | 0 | 0.043 | 0.026 | 23.934 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 447 | ALA | 0 | 0.009 | 0.033 | 24.098 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 448 | TYR | 0 | -0.048 | -0.035 | 17.884 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 449 | ILE | 0 | 0.032 | 0.013 | 20.904 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 450 | GLU | -1 | -0.765 | -0.868 | 14.029 | 21.598 | 21.598 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 451 | ALA | 0 | 0.003 | 0.019 | 17.855 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 452 | ILE | 0 | -0.021 | -0.020 | 11.669 | 0.805 | 0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 453 | HIS | 0 | 0.031 | 0.018 | 15.293 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 454 | GLU | -1 | -0.898 | -0.965 | 12.552 | 20.097 | 20.097 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 455 | LEU | 0 | 0.006 | 0.012 | 15.616 | -0.792 | -0.792 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 456 | ASP | -1 | -0.852 | -0.916 | 16.991 | 14.497 | 14.497 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 457 | GLY | 0 | 0.029 | 0.024 | 13.093 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 458 | PHE | 0 | -0.051 | -0.018 | 13.209 | 1.195 | 1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 459 | THR | 0 | -0.012 | -0.011 | 10.549 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 460 | LEU | 0 | 0.003 | 0.018 | 12.834 | 0.563 | 0.563 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 461 | THR | 0 | 0.003 | -0.009 | 12.126 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 462 | GLY | 0 | 0.027 | 0.014 | 14.350 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 463 | GLY | 0 | 0.020 | 0.011 | 17.464 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 464 | LEU | 0 | -0.075 | -0.030 | 18.689 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 465 | ARG | 1 | 0.815 | 0.892 | 18.688 | -15.583 | -15.583 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 466 | TYR | 0 | 0.008 | 0.008 | 22.416 | -0.515 | -0.515 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 467 | ASP | -1 | -0.800 | -0.870 | 22.933 | 14.457 | 14.457 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 468 | ARG | 1 | 0.948 | 0.955 | 26.097 | -9.957 | -9.957 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 469 | PHE | 0 | 0.027 | 0.015 | 29.021 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 470 | LYS | 1 | 0.893 | 0.956 | 30.684 | -9.568 | -9.568 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 471 | VAL | 0 | 0.040 | 0.013 | 32.520 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 472 | LYS | 1 | 0.839 | 0.950 | 34.945 | -8.341 | -8.341 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 473 | THR | 0 | 0.055 | 0.014 | 37.750 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 474 | HIS | 0 | -0.029 | -0.029 | 39.110 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 475 | ASP | -1 | -0.688 | -0.805 | 41.574 | 7.520 | 7.520 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 476 | GLY | 0 | -0.050 | -0.021 | 42.984 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 477 | LYS | 1 | 0.832 | 0.911 | 42.399 | -7.639 | -7.639 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 478 | THR | 0 | -0.028 | -0.019 | 38.482 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 479 | VAL | 0 | 0.043 | 0.019 | 36.379 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 480 | SER | 0 | -0.057 | -0.048 | 34.790 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 481 | SER | 0 | -0.030 | -0.019 | 32.251 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 482 | SER | 0 | -0.027 | -0.010 | 30.154 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 483 | ASN | 0 | -0.045 | -0.016 | 26.861 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 484 | LEU | 0 | 0.075 | 0.046 | 26.145 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 485 | ASN | 0 | -0.087 | -0.061 | 21.402 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 486 | PRO | 0 | 0.007 | 0.022 | 21.347 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 487 | SER | 0 | -0.019 | -0.026 | 15.995 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 488 | PHE | 0 | 0.021 | 0.007 | 15.862 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 489 | GLY | 0 | 0.034 | 0.009 | 12.474 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 490 | VAL | 0 | -0.023 | 0.001 | 12.561 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 491 | ILE | 0 | -0.053 | -0.037 | 6.268 | 1.923 | 1.923 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 492 | TRP | 0 | 0.016 | 0.013 | 10.182 | -0.714 | -0.714 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 493 | GLN | 0 | 0.015 | -0.011 | 7.763 | 3.176 | 3.176 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 494 | PRO | 0 | -0.022 | 0.013 | 11.760 | -0.596 | -0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 495 | HIS | 0 | 0.076 | 0.029 | 13.081 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 496 | GLU | -1 | -0.839 | -0.922 | 11.445 | 19.293 | 19.293 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 497 | HIS | 0 | -0.065 | -0.026 | 10.046 | 1.570 | 1.570 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 498 | TRP | 0 | -0.022 | -0.020 | 10.522 | 1.301 | 1.301 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 499 | SER | 0 | 0.007 | 0.008 | 6.863 | 1.318 | 1.318 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 500 | PHE | 0 | -0.037 | -0.016 | 9.324 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 501 | SER | 0 | 0.001 | 0.011 | 8.272 | 1.087 | 1.087 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 502 | SER | 0 | -0.013 | -0.014 | 10.364 | -1.477 | -1.477 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 503 | SER | 0 | 0.022 | 0.011 | 11.660 | 0.840 | 0.840 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 504 | HIS | 0 | 0.001 | 0.000 | 13.588 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 505 | ASN | 0 | 0.022 | -0.004 | 12.657 | -0.887 | -0.887 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 506 | TYR | 0 | -0.029 | -0.021 | 17.149 | -0.677 | -0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 507 | ALA | 0 | 0.029 | 0.026 | 18.448 | 0.496 | 0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 508 | SER | 0 | 0.018 | 0.009 | 20.586 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 509 | ARG | 1 | 0.768 | 0.861 | 20.063 | -15.039 | -15.039 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 510 | SER | 0 | 0.000 | -0.013 | 24.459 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 511 | PRO | 0 | 0.054 | 0.031 | 27.534 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 512 | ARG | 1 | 0.734 | 0.837 | 25.407 | -12.570 | -12.570 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 513 | LEU | 0 | -0.016 | 0.004 | 29.728 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 514 | TYR | 0 | 0.034 | 0.009 | 32.161 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 515 | ASP | -1 | -0.780 | -0.878 | 33.233 | 9.841 | 9.841 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 516 | ALA | 0 | 0.051 | 0.005 | 33.426 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 517 | LEU | 0 | -0.076 | -0.029 | 35.226 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 518 | GLN | 0 | -0.041 | -0.042 | 37.053 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 519 | THR | 0 | -0.015 | -0.009 | 37.453 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 520 | HIS | 0 | 0.017 | 0.018 | 39.936 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 521 | GLY | 0 | 0.082 | 0.029 | 43.081 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 522 | LYS | 1 | 0.841 | 0.932 | 44.689 | -6.730 | -6.730 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 523 | ARG | 1 | 0.893 | 0.938 | 41.334 | -7.735 | -7.735 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 524 | GLY | 0 | 0.023 | 0.022 | 45.675 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 525 | ILE | 0 | -0.047 | -0.013 | 44.383 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 526 | ILE | 0 | -0.066 | -0.048 | 38.357 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 527 | SER | 0 | 0.033 | -0.027 | 40.597 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 528 | ILE | 0 | -0.053 | -0.013 | 35.240 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 529 | ALA | 0 | 0.032 | 0.039 | 39.197 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 530 | ASP | -1 | -0.768 | -0.883 | 39.621 | 7.586 | 7.586 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 531 | GLY | 0 | -0.005 | 0.001 | 38.548 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 532 | THR | 0 | -0.012 | 0.015 | 35.459 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 533 | LYS | 1 | 0.896 | 0.940 | 31.816 | -8.968 | -8.968 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 534 | ALA | 0 | -0.013 | -0.006 | 27.330 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 535 | GLU | -1 | -0.758 | -0.815 | 25.610 | 12.258 | 12.258 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 536 | ARG | 1 | 0.847 | 0.889 | 24.600 | -11.834 | -11.834 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 537 | ALA | 0 | 0.004 | 0.005 | 20.530 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 538 | ARG | 1 | 0.915 | 0.958 | 20.714 | -13.010 | -13.010 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 539 | ASN | 0 | -0.041 | -0.041 | 13.953 | -0.586 | -0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 540 | THR | 0 | -0.030 | 0.001 | 16.391 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 541 | GLU | -1 | -0.734 | -0.861 | 11.054 | 25.036 | 25.036 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 542 | ILE | 0 | 0.042 | 0.040 | 12.793 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 543 | GLY | 0 | 0.024 | -0.004 | 9.007 | 0.615 | 0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 544 | PHE | 0 | -0.009 | 0.008 | 8.728 | -1.069 | -1.069 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 545 | ASN | 0 | -0.010 | -0.018 | 3.834 | 0.549 | 0.722 | 0.002 | -0.048 | -0.127 | 0.000 |
457 | A | 546 | TYR | 0 | -0.044 | -0.047 | 7.340 | -1.208 | -1.208 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 547 | ASN | 0 | 0.009 | -0.021 | 7.419 | 1.259 | 1.259 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 548 | ASP | -1 | -0.688 | -0.799 | 9.483 | 18.525 | 18.525 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 549 | GLY | 0 | -0.031 | -0.009 | 11.139 | -1.066 | -1.066 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 550 | THR | 0 | -0.043 | -0.002 | 12.463 | -0.746 | -0.746 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 551 | PHE | 0 | -0.066 | -0.046 | 13.640 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 552 | ALA | 0 | 0.032 | 0.018 | 8.094 | 0.963 | 0.963 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 553 | ALA | 0 | -0.035 | -0.025 | 9.015 | -1.350 | -1.350 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 554 | ASN | 0 | -0.019 | 0.001 | 6.307 | 3.218 | 3.218 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 555 | GLY | 0 | 0.029 | 0.011 | 8.273 | -1.775 | -1.775 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 556 | SER | 0 | 0.015 | 0.010 | 8.974 | 2.828 | 2.828 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 557 | TYR | 0 | -0.040 | -0.029 | 10.879 | -1.229 | -1.229 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 558 | PHE | 0 | -0.022 | 0.005 | 13.540 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 559 | TRP | 0 | 0.014 | 0.000 | 15.416 | -0.900 | -0.900 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 560 | GLN | 0 | -0.045 | -0.032 | 17.409 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 561 | THR | 0 | -0.059 | -0.027 | 20.176 | -0.935 | -0.935 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 562 | ILE | 0 | 0.029 | 0.015 | 21.702 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 563 | LYS | 1 | 0.955 | 0.986 | 24.918 | -11.378 | -11.378 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 564 | ASP | -1 | -0.889 | -0.947 | 28.256 | 10.546 | 10.546 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 565 | ALA | 0 | 0.002 | 0.003 | 28.324 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 566 | LEU | 0 | -0.010 | -0.014 | 29.558 | -0.460 | -0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 567 | ALA | 0 | -0.017 | -0.016 | 30.403 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 568 | ASN | 0 | -0.078 | -0.027 | 32.607 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 569 | PRO | 0 | -0.003 | -0.013 | 36.206 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 570 | GLN | 0 | -0.016 | -0.011 | 38.921 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 571 | ASN | 0 | 0.042 | -0.004 | 42.052 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 572 | ARG | 1 | 0.747 | 0.838 | 44.071 | -7.326 | -7.326 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 573 | HIS | 0 | 0.040 | 0.021 | 47.050 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 574 | VAL | 0 | -0.040 | -0.019 | 50.210 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 575 | SER | 0 | 0.024 | 0.018 | 49.231 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 576 | ALA | 0 | -0.005 | 0.017 | 49.444 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 577 | ALA | 0 | 0.073 | 0.008 | 46.615 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 578 | VAL | 0 | -0.013 | 0.019 | 45.666 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 579 | ARG | 1 | 0.889 | 0.954 | 40.319 | -7.925 | -7.925 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 580 | GLU | -1 | -0.744 | -0.841 | 40.679 | 7.645 | 7.645 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 581 | ALA | 0 | -0.006 | 0.001 | 35.166 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 582 | VAL | 0 | 0.041 | 0.009 | 36.412 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 583 | ASN | 0 | -0.042 | -0.032 | 31.902 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 584 | ALA | 0 | 0.014 | -0.001 | 33.653 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 585 | GLY | 0 | 0.046 | 0.027 | 33.082 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 586 | TYR | 0 | -0.069 | -0.023 | 28.555 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 587 | ILE | 0 | 0.011 | 0.004 | 24.063 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 588 | LYS | 1 | 0.873 | 0.939 | 24.073 | -11.471 | -11.471 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 589 | ASN | 0 | 0.027 | -0.015 | 19.371 | -0.329 | -0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 590 | HIS | 0 | 0.002 | 0.027 | 18.891 | 0.576 | 0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 591 | GLY | 0 | 0.045 | 0.023 | 17.851 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 592 | TYR | 0 | 0.006 | 0.007 | 14.387 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 593 | GLU | -1 | -0.796 | -0.898 | 10.224 | 25.608 | 25.608 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 594 | LEU | 0 | -0.008 | 0.004 | 11.364 | 0.608 | 0.608 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 595 | GLY | 0 | 0.014 | 0.005 | 10.109 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 596 | ALA | 0 | -0.012 | -0.005 | 10.643 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 597 | SER | 0 | -0.074 | -0.045 | 10.478 | 0.591 | 0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 598 | TYR | 0 | 0.049 | 0.024 | 12.676 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 599 | ARG | 1 | 0.917 | 0.945 | 12.746 | -20.132 | -20.132 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 600 | THR | 0 | 0.047 | 0.025 | 16.028 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 601 | GLY | 0 | 0.057 | 0.029 | 19.400 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 602 | GLY | 0 | 0.019 | 0.011 | 20.052 | -0.573 | -0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 603 | LEU | 0 | -0.003 | 0.008 | 20.372 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 604 | THR | 0 | -0.030 | -0.017 | 14.533 | 1.202 | 1.202 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 605 | ALA | 0 | 0.020 | 0.019 | 16.275 | -0.653 | -0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 606 | LYS | 1 | 0.846 | 0.910 | 11.363 | -21.428 | -21.428 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 607 | VAL | 0 | 0.018 | 0.003 | 13.781 | -1.348 | -1.348 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 608 | GLY | 0 | 0.041 | 0.024 | 13.298 | 1.964 | 1.964 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 609 | VAL | 0 | -0.041 | -0.019 | 14.038 | -1.572 | -1.572 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 610 | SER | 0 | 0.009 | 0.009 | 14.336 | 1.235 | 1.235 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 611 | HIS | 0 | 0.031 | 0.005 | 16.004 | -0.902 | -0.902 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 612 | SER | 0 | 0.001 | 0.003 | 17.799 | 0.447 | 0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 613 | LYS | 1 | 0.932 | 0.979 | 19.581 | -12.292 | -12.292 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 614 | PRO | 0 | 0.007 | 0.033 | 21.791 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 615 | ARG | 1 | 0.811 | 0.878 | 23.664 | -12.115 | -12.115 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 616 | PHE | 0 | 0.044 | 0.009 | 25.096 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 617 | TYR | 0 | 0.006 | -0.005 | 27.977 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 618 | ASP | -1 | -0.803 | -0.924 | 32.112 | 9.260 | 9.260 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 619 | THR | 0 | -0.030 | -0.035 | 34.384 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 620 | HIS | 0 | 0.014 | 0.003 | 37.021 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 621 | PRO | 0 | 0.035 | 0.010 | 39.554 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 622 | LYS | 1 | 0.908 | 0.960 | 42.596 | -6.981 | -6.981 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 623 | LYS | 1 | 0.949 | 0.971 | 38.079 | -8.062 | -8.062 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 624 | LEU | 0 | 0.030 | 0.036 | 37.057 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 625 | LEU | 0 | -0.008 | 0.009 | 31.043 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 626 | SER | 0 | 0.002 | -0.004 | 31.773 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 627 | ALA | 0 | 0.000 | -0.006 | 30.723 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 628 | ASN | 0 | 0.024 | 0.029 | 30.200 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 629 | PRO | 0 | 0.024 | 0.014 | 26.404 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 630 | GLU | -1 | -0.789 | -0.868 | 25.024 | 12.213 | 12.213 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 631 | PHE | 0 | 0.015 | 0.008 | 24.479 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 632 | GLY | 0 | 0.069 | 0.038 | 23.362 | 0.673 | 0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 633 | ALA | 0 | -0.038 | -0.022 | 23.419 | -0.705 | -0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 634 | GLN | 0 | -0.026 | -0.013 | 23.384 | 0.302 | 0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 635 | VAL | 0 | 0.007 | 0.015 | 20.535 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 636 | GLY | 0 | 0.011 | 0.013 | 23.252 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 637 | ARG | 1 | 0.856 | 0.932 | 19.907 | -12.969 | -12.969 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 638 | ALA | 0 | 0.024 | 0.008 | 17.819 | -0.597 | -0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 639 | TRP | 0 | -0.026 | -0.035 | 17.872 | 0.878 | 0.878 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 640 | THR | 0 | -0.039 | -0.021 | 14.037 | -0.685 | -0.685 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 641 | ALA | 0 | 0.022 | 0.007 | 16.667 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 642 | SER | 0 | -0.060 | -0.041 | 15.438 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 643 | LEU | 0 | -0.001 | 0.007 | 17.938 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 644 | ALA | 0 | 0.001 | -0.009 | 18.605 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 645 | TYR | 0 | -0.009 | -0.003 | 20.490 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 646 | ARG | 1 | 0.791 | 0.864 | 19.808 | -15.219 | -15.219 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 647 | PHE | 0 | -0.014 | -0.002 | 23.255 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 648 | GLN | 0 | 0.040 | 0.011 | 25.817 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 649 | ASN | 0 | -0.048 | -0.012 | 27.783 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 650 | PRO | 0 | 0.059 | 0.021 | 30.544 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 651 | ASN | 0 | 0.019 | 0.010 | 23.917 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 652 | LEU | 0 | 0.001 | -0.006 | 25.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 653 | GLU | -1 | -0.886 | -0.930 | 18.833 | 16.716 | 16.716 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 654 | ILE | 0 | 0.011 | 0.013 | 23.559 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 655 | GLY | 0 | 0.043 | 0.009 | 21.622 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 656 | TRP | 0 | -0.037 | -0.014 | 20.918 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 657 | ARG | 1 | 0.863 | 0.914 | 15.801 | -16.955 | -16.955 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 658 | GLY | 0 | 0.018 | 0.025 | 19.557 | -0.844 | -0.844 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 659 | ARG | 1 | 0.788 | 0.863 | 15.997 | -16.816 | -16.816 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 660 | TYR | 0 | 0.000 | 0.009 | 20.604 | -0.876 | -0.876 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 661 | VAL | 0 | 0.012 | 0.023 | 21.040 | 0.652 | 0.652 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 662 | GLN | 0 | 0.060 | 0.045 | 23.403 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 663 | LYS | 1 | 0.966 | 0.978 | 25.925 | -9.269 | -9.269 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 664 | ALA | 0 | 0.026 | 0.026 | 26.383 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 665 | VAL | 0 | -0.024 | -0.030 | 28.316 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 666 | GLY | 0 | -0.013 | -0.003 | 29.754 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 667 | SER | 0 | -0.012 | -0.027 | 30.187 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 668 | ILE | 0 | 0.015 | 0.018 | 26.024 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 669 | LEU | 0 | -0.012 | 0.004 | 28.751 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 670 | VAL | 0 | -0.030 | -0.018 | 30.530 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 671 | ALA | 0 | -0.026 | -0.011 | 32.899 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 672 | GLY | 0 | 0.001 | 0.012 | 34.977 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 673 | GLN | 0 | -0.011 | -0.006 | 32.653 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 674 | LYS | 1 | 0.915 | 0.947 | 36.385 | -7.774 | -7.774 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 675 | ASP | -1 | -0.772 | -0.873 | 39.044 | 7.614 | 7.614 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 676 | ARG | 1 | 0.996 | 1.009 | 41.048 | -6.929 | -6.929 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 677 | ASN | 0 | -0.116 | -0.083 | 44.187 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 678 | GLY | 0 | 0.082 | 0.038 | 45.291 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 679 | LYS | 1 | 0.888 | 0.955 | 44.155 | -7.043 | -7.043 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 680 | LEU | 0 | -0.019 | 0.005 | 39.077 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 681 | GLU | -1 | -0.793 | -0.880 | 36.747 | 8.717 | 8.717 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 682 | ASN | 0 | -0.028 | -0.020 | 37.482 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 683 | VAL | 0 | -0.037 | -0.005 | 31.406 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 684 | VAL | 0 | -0.005 | -0.002 | 32.717 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 685 | ARG | 1 | 0.895 | 0.961 | 27.777 | -11.435 | -11.435 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 686 | LYS | 1 | 0.995 | 0.987 | 30.077 | -8.901 | -8.901 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 687 | GLY | 0 | 0.035 | 0.026 | 27.684 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 688 | PHE | 0 | -0.030 | -0.018 | 23.917 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 689 | GLY | 0 | 0.037 | 0.012 | 25.398 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 690 | VAL | 0 | -0.036 | -0.008 | 23.583 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 691 | ASN | 0 | 0.028 | 0.005 | 23.662 | 0.726 | 0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 692 | ASP | -1 | -0.783 | -0.871 | 21.686 | 13.525 | 13.525 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 693 | VAL | 0 | -0.002 | -0.005 | 23.970 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 694 | PHE | 0 | -0.026 | -0.026 | 18.983 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 695 | ALA | 0 | 0.020 | 0.001 | 24.157 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 696 | ASN | 0 | -0.002 | 0.003 | 21.974 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 697 | TRP | 0 | 0.034 | 0.038 | 23.945 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 698 | LYS | 1 | 0.768 | 0.869 | 20.256 | -15.102 | -15.102 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 699 | PRO | 0 | 0.007 | -0.010 | 26.901 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 700 | LEU | 0 | -0.027 | -0.018 | 29.156 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 701 | GLY | 0 | 0.001 | 0.011 | 27.600 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 702 | LYS | 1 | 0.897 | 0.962 | 24.920 | -11.202 | -11.202 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 703 | ASP | -1 | -0.792 | -0.890 | 19.610 | 15.932 | 15.932 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 704 | THR | 0 | -0.027 | -0.017 | 23.208 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 705 | LEU | 0 | 0.010 | 0.002 | 26.104 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 706 | ASN | 0 | 0.018 | 0.026 | 22.267 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 707 | VAL | 0 | 0.004 | -0.004 | 25.597 | -0.293 | -0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 708 | ASN | 0 | -0.006 | -0.015 | 22.629 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 709 | LEU | 0 | 0.017 | 0.009 | 25.925 | -0.394 | -0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 710 | SER | 0 | -0.042 | -0.031 | 24.349 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 711 | VAL | 0 | 0.024 | 0.011 | 26.306 | -0.475 | -0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 712 | ASN | 0 | 0.048 | 0.021 | 22.811 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 713 | ASN | 0 | -0.037 | -0.030 | 25.666 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 714 | VAL | 0 | 0.071 | 0.041 | 27.475 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 715 | PHE | 0 | -0.016 | -0.014 | 28.883 | -0.458 | -0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 716 | ASN | 0 | -0.015 | 0.012 | 31.178 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 717 | THR | 0 | 0.002 | 0.000 | 29.364 | -0.451 | -0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 718 | PHE | 0 | 0.008 | 0.026 | 31.037 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 719 | TYR | 0 | -0.018 | -0.027 | 25.484 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 720 | TYR | 0 | 0.044 | 0.031 | 29.644 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 721 | PRO | 0 | 0.010 | 0.013 | 24.161 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 722 | HIS | 0 | -0.020 | -0.037 | 24.085 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 723 | SER | 0 | -0.013 | -0.019 | 21.848 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 724 | GLN | 0 | 0.018 | 0.003 | 24.278 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 725 | ARG | 1 | 0.810 | 0.883 | 27.661 | -9.841 | -9.841 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 726 | TRP | 0 | -0.034 | -0.053 | 31.197 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 727 | THR | 0 | -0.006 | 0.011 | 32.251 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 728 | ASN | 0 | -0.025 | -0.019 | 33.787 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 729 | THR | 0 | 0.022 | 0.017 | 31.373 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 730 | LEU | 0 | 0.020 | 0.017 | 30.355 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 731 | PRO | 0 | 0.022 | 0.026 | 30.057 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 732 | GLY | 0 | 0.029 | -0.003 | 27.879 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 733 | VAL | 0 | -0.022 | -0.009 | 27.319 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 734 | GLY | 0 | 0.013 | 0.018 | 28.810 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 735 | ARG | 1 | 0.854 | 0.904 | 30.013 | -9.153 | -9.153 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 736 | ASP | -1 | -0.798 | -0.895 | 28.132 | 10.751 | 10.751 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 737 | VAL | 0 | -0.045 | -0.022 | 28.700 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 738 | ARG | 1 | 0.797 | 0.897 | 24.850 | -12.470 | -12.470 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 739 | LEU | 0 | 0.019 | 0.015 | 28.734 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 740 | GLY | 0 | 0.015 | 0.001 | 26.864 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 741 | VAL | 0 | -0.019 | 0.000 | 27.757 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 742 | ASN | 0 | -0.065 | -0.034 | 22.979 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 743 | TYR | 0 | 0.047 | 0.013 | 26.786 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 744 | LYS | 1 | 0.859 | 0.929 | 21.700 | -14.550 | -14.550 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 745 | PHE | 0 | 0.036 | 0.031 | 28.357 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |