FMODB ID: 2JJRR
Calculation Name: 4OWW-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4OWW
Chain ID: A
UniProt ID: Q68E01
Base Structure: X-ray
Registration Date: 2023-06-21
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 | 463 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8985303.628314 |
---|---|
FMO2-HF: Nuclear repulsion | 8795908.008523 |
FMO2-HF: Total energy | -189395.619791 |
FMO2-MP2: Total energy | -189936.349623 |
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:35:ARG)
Summations of interaction energy for
fragment #1(A:35:ARG)
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. |
-159.366 | -150.519 | 26.513 | -16.384 | -18.974 | -0.172 |
Interaction energy analysis for fragmet #1(A:35:ARG)
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 | 37 | LEU | 0 | -0.080 | -0.053 | 2.593 | 8.660 | 12.274 | 0.366 | -1.797 | -2.182 | 0.004 |
4 | A | 38 | LEU | 0 | -0.026 | -0.011 | 2.716 | -9.317 | -7.761 | 0.726 | -0.830 | -1.452 | -0.010 |
5 | A | 39 | SER | 0 | -0.019 | -0.014 | 4.080 | 2.956 | 3.119 | -0.001 | -0.007 | -0.155 | 0.000 |
6 | A | 40 | THR | 0 | -0.042 | -0.040 | 6.148 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 41 | SER | 0 | -0.011 | -0.021 | 8.458 | -1.567 | -1.567 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 42 | LEU | 0 | -0.026 | -0.007 | 9.961 | 1.055 | 1.055 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 43 | ASP | -1 | -0.873 | -0.900 | 8.329 | -25.785 | -25.785 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 44 | ALA | 0 | -0.001 | 0.002 | 9.467 | -1.432 | -1.432 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 45 | LYS | 1 | 0.829 | 0.896 | 7.149 | 30.510 | 30.510 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 46 | ASP | -1 | -0.759 | -0.874 | 6.472 | -25.981 | -25.981 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 47 | GLU | -1 | -0.780 | -0.874 | 7.854 | -29.694 | -29.694 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 48 | LEU | 0 | -0.019 | -0.002 | 9.033 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 49 | GLU | -1 | -0.782 | -0.904 | 2.478 | -75.394 | -73.165 | 3.510 | -2.227 | -3.512 | -0.030 |
16 | A | 50 | GLU | -1 | -0.799 | -0.890 | 5.509 | -47.546 | -47.546 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 51 | ARG | 1 | 0.806 | 0.881 | 7.008 | 21.578 | 21.578 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 52 | LEU | 0 | 0.010 | -0.005 | 7.488 | 2.057 | 2.057 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 53 | GLU | -1 | -0.786 | -0.885 | 1.787 | -125.496 | -125.846 | 20.095 | -10.606 | -9.140 | -0.134 |
20 | A | 54 | ARG | 1 | 0.831 | 0.910 | 6.420 | 30.930 | 30.930 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 55 | CYS | 0 | -0.063 | -0.026 | 9.232 | 2.542 | 2.542 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 56 | MET | 0 | 0.034 | 0.021 | 3.395 | 2.731 | 2.901 | 0.003 | -0.033 | -0.140 | 0.000 |
23 | A | 57 | SER | 0 | 0.000 | 0.009 | 8.690 | 1.174 | 1.174 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 58 | ILE | 0 | -0.035 | -0.020 | 10.426 | 1.768 | 1.768 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 59 | VAL | 0 | 0.018 | 0.009 | 11.838 | 1.364 | 1.364 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 60 | THR | 0 | 0.005 | 0.010 | 10.017 | 1.181 | 1.181 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 61 | SER | 0 | -0.022 | -0.004 | 12.998 | 1.029 | 1.029 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 62 | MET | 0 | -0.093 | -0.030 | 15.629 | 0.937 | 0.937 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 63 | THR | 0 | -0.048 | -0.050 | 15.042 | 0.578 | 0.578 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 64 | ALA | 0 | -0.002 | 0.013 | 14.757 | 0.385 | 0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 65 | GLY | 0 | -0.037 | -0.018 | 16.743 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 66 | VAL | 0 | -0.019 | 0.007 | 19.924 | 0.662 | 0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 67 | SER | 0 | -0.028 | -0.046 | 21.045 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 68 | GLU | -1 | -0.881 | -0.976 | 21.297 | -12.383 | -12.383 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 69 | ARG | 1 | 0.896 | 0.961 | 22.313 | 10.054 | 10.054 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 70 | GLU | -1 | -0.783 | -0.867 | 24.095 | -11.234 | -11.234 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 71 | ALA | 0 | 0.000 | 0.015 | 19.079 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 72 | ASN | 0 | 0.029 | -0.002 | 20.659 | -0.853 | -0.853 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 73 | ASP | -1 | -0.886 | -0.933 | 22.185 | -10.701 | -10.701 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 74 | ALA | 0 | 0.019 | 0.019 | 21.147 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 75 | LEU | 0 | 0.020 | 0.004 | 16.648 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 76 | ASN | 0 | -0.026 | -0.032 | 20.694 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 77 | ALA | 0 | 0.005 | 0.020 | 23.961 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 78 | TYR | 0 | -0.050 | -0.051 | 18.710 | 0.623 | 0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 79 | VAL | 0 | 0.019 | 0.008 | 20.710 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 80 | CYS | 0 | -0.077 | -0.043 | 22.905 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 81 | LYS | 1 | 0.810 | 0.910 | 24.372 | 11.702 | 11.702 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 82 | GLY | 0 | 0.051 | 0.034 | 25.283 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 83 | LEU | 0 | 0.023 | 0.003 | 24.117 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 84 | PRO | 0 | 0.008 | 0.015 | 20.764 | -0.443 | -0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 85 | GLN | 0 | 0.073 | 0.038 | 19.518 | -0.646 | -0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 86 | HIS | 0 | 0.050 | 0.029 | 19.213 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 87 | GLU | -1 | -0.850 | -0.912 | 17.270 | -17.308 | -17.308 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 88 | GLU | -1 | -0.852 | -0.923 | 15.357 | -18.354 | -18.354 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 89 | ILE | 0 | 0.023 | 0.011 | 14.240 | -1.261 | -1.261 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 90 | CYS | 0 | -0.018 | -0.004 | 14.637 | -0.512 | -0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 91 | LEU | 0 | -0.003 | -0.012 | 12.380 | -0.723 | -0.723 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 92 | GLY | 0 | 0.000 | 0.016 | 10.328 | -2.149 | -2.149 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 93 | LEU | 0 | 0.012 | 0.005 | 9.981 | -1.227 | -1.227 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 94 | PHE | 0 | -0.024 | -0.012 | 11.193 | -0.581 | -0.581 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 95 | THR | 0 | 0.002 | -0.029 | 5.359 | -0.944 | -0.944 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 96 | LEU | 0 | 0.055 | 0.032 | 6.284 | -2.671 | -2.671 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 97 | ILE | 0 | -0.039 | -0.004 | 8.144 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 98 | LEU | 0 | -0.035 | -0.017 | 7.127 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 99 | THR | 0 | -0.031 | -0.044 | 2.581 | -1.745 | -1.030 | 0.268 | -0.308 | -0.676 | 0.000 |
66 | A | 100 | GLU | -1 | -0.872 | -0.915 | 5.050 | -25.509 | -25.401 | -0.001 | -0.002 | -0.104 | 0.000 |
67 | A | 101 | PRO | 0 | 0.018 | -0.002 | 7.831 | 1.754 | 1.754 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 102 | ALA | 0 | -0.033 | -0.013 | 10.945 | 1.187 | 1.187 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 103 | GLN | 0 | -0.022 | -0.019 | 9.768 | 1.659 | 1.659 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 104 | ALA | 0 | -0.007 | 0.012 | 11.794 | 0.539 | 0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 105 | GLN | 0 | 0.018 | -0.006 | 13.082 | 0.728 | 0.728 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 106 | LYS | 1 | 0.791 | 0.895 | 16.266 | 14.778 | 14.778 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 107 | CYS | 0 | 0.024 | 0.018 | 11.553 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 108 | TYR | 0 | 0.008 | -0.007 | 14.943 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 109 | ARG | 1 | 0.962 | 0.980 | 16.870 | 13.086 | 13.086 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 110 | ASP | -1 | -0.802 | -0.899 | 17.290 | -14.079 | -14.079 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 111 | LEU | 0 | -0.044 | -0.012 | 14.907 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 112 | ALA | 0 | -0.007 | -0.018 | 18.280 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 113 | LEU | 0 | -0.070 | -0.018 | 21.543 | 0.541 | 0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 114 | VAL | 0 | -0.021 | -0.017 | 19.073 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 115 | SER | 0 | -0.032 | -0.001 | 20.581 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 116 | ARG | 1 | 0.918 | 0.939 | 22.219 | 11.445 | 11.445 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 117 | ASP | -1 | -0.826 | -0.923 | 22.392 | -13.022 | -13.022 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 118 | GLY | 0 | 0.010 | 0.007 | 24.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 119 | MET | 0 | -0.003 | -0.007 | 19.696 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 120 | ASN | 0 | 0.022 | 0.028 | 20.265 | -0.733 | -0.733 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 121 | ILE | 0 | 0.018 | -0.007 | 17.328 | -0.436 | -0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 122 | VAL | 0 | -0.001 | 0.001 | 14.810 | -0.989 | -0.989 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 123 | LEU | 0 | 0.010 | 0.003 | 16.396 | -0.879 | -0.879 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 124 | ASN | 0 | -0.049 | -0.015 | 18.940 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 125 | LYS | 1 | 0.903 | 0.960 | 12.753 | 20.001 | 20.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 126 | ILE | 0 | 0.036 | 0.029 | 14.372 | -1.161 | -1.161 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 127 | ASN | 0 | 0.027 | 0.014 | 15.615 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 128 | GLN | 0 | -0.030 | -0.024 | 14.869 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 129 | ILE | 0 | 0.015 | -0.002 | 9.785 | -0.401 | -0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 130 | LEU | 0 | -0.040 | -0.017 | 13.044 | -0.423 | -0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 131 | MET | 0 | -0.020 | -0.014 | 15.285 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 132 | GLU | -1 | -0.880 | -0.926 | 13.989 | -19.360 | -19.360 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 133 | LYS | 1 | 0.803 | 0.879 | 9.464 | 25.048 | 25.048 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 134 | TYR | 0 | 0.073 | 0.041 | 10.241 | -1.806 | -1.806 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 135 | LEU | 0 | -0.022 | -0.027 | 11.471 | -0.570 | -0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 136 | LYS | 1 | 0.905 | 0.951 | 7.207 | 31.809 | 31.809 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 137 | LEU | 0 | -0.022 | 0.019 | 6.827 | -3.462 | -3.462 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 138 | GLN | 0 | 0.025 | 0.011 | 2.322 | 6.984 | 7.562 | 1.548 | -0.553 | -1.572 | -0.002 |
105 | A | 139 | ASP | -1 | -0.770 | -0.877 | 6.780 | -19.923 | -19.923 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 140 | THR | 0 | 0.048 | 0.020 | 6.002 | 2.367 | 2.367 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 141 | CYS | 0 | -0.009 | 0.006 | 5.551 | -0.396 | -0.332 | -0.001 | -0.021 | -0.041 | 0.000 |
108 | A | 142 | ARG | 1 | 0.823 | 0.919 | 8.163 | 23.702 | 23.702 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 143 | THR | 0 | -0.012 | -0.023 | 11.643 | 1.746 | 1.746 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 144 | GLN | 0 | -0.037 | -0.014 | 9.239 | 2.129 | 2.129 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 145 | LEU | 0 | 0.008 | 0.006 | 11.846 | 1.024 | 1.024 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 146 | VAL | 0 | -0.014 | -0.008 | 13.350 | 1.087 | 1.087 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 147 | TRP | 0 | -0.011 | -0.001 | 14.368 | 0.651 | 0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 148 | LEU | 0 | 0.032 | 0.012 | 13.307 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 149 | VAL | 0 | -0.001 | -0.005 | 16.188 | 0.749 | 0.749 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 150 | ARG | 1 | 0.888 | 0.946 | 18.921 | 12.748 | 12.748 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 151 | GLU | -1 | -0.829 | -0.896 | 18.776 | -11.929 | -11.929 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 152 | LEU | 0 | -0.021 | -0.007 | 17.819 | 0.530 | 0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 153 | VAL | 0 | -0.027 | -0.018 | 21.571 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 154 | LYS | 1 | 0.834 | 0.906 | 22.612 | 12.298 | 12.298 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 155 | SER | 0 | -0.057 | -0.023 | 23.247 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 156 | GLY | 0 | -0.026 | 0.000 | 25.609 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 157 | VAL | 0 | -0.021 | -0.007 | 22.267 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 158 | LEU | 0 | 0.019 | 0.006 | 25.330 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 159 | GLY | 0 | 0.035 | 0.015 | 25.190 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 160 | ALA | 0 | 0.029 | 0.007 | 23.197 | -0.433 | -0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 161 | ASP | -1 | -0.812 | -0.899 | 24.139 | -10.727 | -10.727 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 162 | GLY | 0 | -0.004 | -0.004 | 25.569 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 163 | VAL | 0 | 0.013 | 0.011 | 19.316 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 164 | CYS | 0 | -0.008 | 0.002 | 21.464 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 165 | MET | 0 | -0.050 | -0.017 | 23.463 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 166 | THR | 0 | -0.037 | -0.027 | 19.256 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 167 | PHE | 0 | 0.016 | -0.004 | 15.813 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 168 | MET | 0 | 0.002 | 0.008 | 20.157 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 169 | LYS | 1 | 0.781 | 0.888 | 21.850 | 12.436 | 12.436 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 170 | GLN | 0 | -0.040 | -0.036 | 16.802 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 171 | ILE | 0 | -0.034 | 0.009 | 19.273 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 172 | ALA | 0 | -0.012 | 0.001 | 21.140 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 173 | GLY | 0 | 0.024 | 0.011 | 22.871 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 174 | GLY | 0 | -0.027 | -0.015 | 26.086 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 175 | ASP | -1 | -0.834 | -0.908 | 21.237 | -13.265 | -13.265 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 176 | VAL | 0 | 0.021 | 0.014 | 24.569 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 177 | THR | 0 | -0.050 | -0.038 | 20.508 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 178 | ALA | 0 | 0.038 | 0.007 | 19.878 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 179 | LYS | 1 | 0.849 | 0.901 | 13.038 | 19.342 | 19.342 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 180 | ASN | 0 | -0.015 | -0.016 | 17.860 | -0.663 | -0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 181 | ILE | 0 | 0.006 | 0.003 | 20.150 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 182 | TRP | 0 | -0.003 | 0.010 | 15.167 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 183 | LEU | 0 | -0.003 | 0.017 | 17.277 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 184 | ALA | 0 | 0.012 | 0.004 | 19.819 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 185 | GLU | -1 | -0.833 | -0.897 | 23.503 | -10.407 | -10.407 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 186 | SER | 0 | -0.010 | -0.013 | 20.033 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 187 | VAL | 0 | -0.017 | -0.021 | 20.976 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 188 | LEU | 0 | -0.003 | 0.015 | 23.340 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 189 | ASP | -1 | -0.794 | -0.888 | 24.579 | -10.380 | -10.380 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 190 | ILE | 0 | -0.075 | -0.031 | 20.494 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 191 | LEU | 0 | -0.006 | -0.021 | 25.167 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 192 | THR | 0 | -0.043 | -0.036 | 28.172 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 193 | GLU | -1 | -0.881 | -0.913 | 25.951 | -10.526 | -10.526 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 194 | GLN | 0 | -0.026 | -0.013 | 26.501 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 195 | ARG | 1 | 0.868 | 0.911 | 29.877 | 8.054 | 8.054 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 196 | GLU | -1 | -0.871 | -0.935 | 32.889 | -8.224 | -8.224 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 197 | TRP | 0 | 0.026 | -0.004 | 26.334 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 198 | VAL | 0 | 0.021 | 0.007 | 29.651 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 199 | LEU | 0 | -0.074 | -0.030 | 31.904 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 200 | LYS | 1 | 0.823 | 0.914 | 33.235 | 8.892 | 8.892 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 201 | SER | 0 | -0.024 | -0.023 | 31.352 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 202 | SER | 0 | 0.060 | 0.015 | 33.895 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 203 | ILE | 0 | -0.042 | -0.026 | 31.476 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 204 | LEU | 0 | 0.033 | 0.017 | 27.959 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 205 | ILE | 0 | 0.045 | 0.033 | 31.325 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 206 | ALA | 0 | -0.007 | 0.001 | 33.982 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 207 | MET | 0 | -0.005 | -0.017 | 28.418 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 208 | ALA | 0 | 0.007 | -0.003 | 29.506 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 209 | VAL | 0 | 0.034 | 0.017 | 30.509 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 210 | TYR | 0 | -0.004 | -0.016 | 31.446 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 211 | THR | 0 | -0.014 | -0.021 | 26.510 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 212 | TYR | 0 | -0.009 | -0.035 | 25.413 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 213 | LEU | 0 | 0.002 | 0.011 | 30.875 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 214 | ARG | 1 | 0.717 | 0.829 | 30.305 | 9.795 | 9.795 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 215 | LEU | 0 | -0.022 | -0.015 | 26.035 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 216 | ILE | 0 | 0.013 | 0.023 | 29.941 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 217 | VAL | 0 | -0.046 | -0.030 | 32.907 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 218 | ASP | -1 | -0.774 | -0.850 | 29.213 | -9.755 | -9.755 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 219 | HIS | 1 | 0.787 | 0.883 | 26.797 | 10.174 | 10.174 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 220 | HIS | 0 | -0.005 | -0.014 | 31.503 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 221 | GLY | 0 | 0.046 | 0.028 | 32.981 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 222 | THR | 0 | 0.012 | 0.007 | 29.998 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 223 | ALA | 0 | 0.055 | 0.017 | 33.211 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 224 | GLN | 0 | 0.023 | 0.016 | 24.803 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 225 | LEU | 0 | -0.007 | 0.000 | 27.642 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 226 | GLN | 0 | 0.041 | 0.026 | 30.832 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 227 | ALA | 0 | 0.019 | 0.009 | 31.904 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 228 | LEU | 0 | 0.014 | 0.015 | 26.723 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 229 | ARG | 1 | 0.882 | 0.945 | 30.738 | 8.363 | 8.363 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 230 | GLN | 0 | -0.092 | -0.048 | 33.271 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 231 | LYS | 1 | 0.844 | 0.896 | 27.714 | 10.355 | 10.355 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 232 | GLU | -1 | -0.803 | -0.899 | 28.962 | -9.933 | -9.933 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 233 | VAL | 0 | -0.008 | -0.012 | 32.777 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 234 | ASP | -1 | -0.838 | -0.911 | 36.377 | -7.669 | -7.669 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 235 | PHE | 0 | -0.044 | -0.019 | 31.070 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 236 | CYS | 0 | -0.037 | -0.032 | 33.964 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 237 | ILE | 0 | 0.000 | 0.006 | 36.196 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 238 | SER | 0 | 0.006 | 0.011 | 37.696 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 239 | LEU | 0 | -0.009 | -0.004 | 33.845 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 240 | LEU | 0 | -0.020 | -0.014 | 38.471 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 241 | ARG | 1 | 0.823 | 0.883 | 40.715 | 6.771 | 6.771 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 242 | GLU | -1 | -0.787 | -0.856 | 40.337 | -7.470 | -7.470 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 243 | ARG | 1 | 0.821 | 0.897 | 38.934 | 7.738 | 7.738 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 244 | PHE | 0 | 0.072 | 0.037 | 40.975 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 245 | MET | 0 | -0.036 | -0.016 | 42.831 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 246 | GLU | -1 | -0.805 | -0.903 | 38.416 | -7.652 | -7.652 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 247 | CYS | 0 | -0.050 | -0.017 | 38.396 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 248 | LEU | 0 | 0.002 | 0.000 | 39.460 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 249 | MET | 0 | -0.067 | -0.019 | 36.929 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 250 | ILE | 0 | -0.085 | -0.036 | 35.929 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 251 | GLY | 0 | 0.051 | 0.035 | 38.352 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 252 | ARG | 1 | 0.781 | 0.831 | 41.233 | 6.836 | 6.836 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 253 | ASP | -1 | -0.753 | -0.836 | 37.525 | -7.995 | -7.995 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 254 | LEU | 0 | 0.004 | 0.013 | 38.399 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 255 | VAL | 0 | 0.031 | 0.013 | 39.718 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 256 | ARG | 1 | 0.849 | 0.931 | 35.247 | 8.303 | 8.303 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 257 | LEU | 0 | -0.039 | -0.027 | 34.279 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 258 | LEU | 0 | 0.053 | 0.025 | 38.242 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 259 | GLN | 0 | 0.025 | 0.021 | 40.954 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 260 | ASN | 0 | -0.067 | -0.032 | 37.526 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 261 | VAL | 0 | 0.002 | 0.007 | 36.910 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 262 | ALA | 0 | 0.003 | 0.005 | 40.100 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 263 | ARG | 1 | 0.929 | 0.958 | 43.240 | 6.791 | 6.791 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 264 | ILE | 0 | -0.014 | 0.019 | 38.056 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 265 | PRO | 0 | 0.069 | 0.036 | 42.478 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 266 | GLU | -1 | -0.791 | -0.897 | 41.487 | -7.187 | -7.187 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 267 | PHE | 0 | 0.025 | -0.016 | 38.038 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 268 | GLU | -1 | -0.899 | -0.927 | 43.507 | -6.071 | -6.071 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 269 | LEU | 0 | -0.040 | -0.028 | 46.762 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 270 | LEU | 0 | 0.001 | -0.004 | 42.725 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 271 | TRP | 0 | -0.020 | -0.036 | 43.802 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 272 | LYS | 1 | 0.849 | 0.921 | 47.942 | 6.130 | 6.130 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 273 | ASP | -1 | -0.774 | -0.865 | 48.932 | -6.044 | -6.044 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 274 | ILE | 0 | -0.043 | -0.028 | 44.764 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 275 | ILE | 0 | -0.068 | -0.036 | 49.415 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 276 | HIS | 0 | -0.025 | -0.014 | 52.393 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 277 | ASN | 0 | -0.072 | -0.024 | 53.468 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 278 | PRO | 0 | 0.050 | 0.036 | 51.070 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 279 | GLN | 0 | 0.012 | -0.016 | 50.843 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 280 | ALA | 0 | -0.034 | 0.002 | 51.742 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 281 | LEU | 0 | -0.059 | -0.023 | 46.166 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 282 | SER | 0 | 0.003 | -0.016 | 47.541 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 283 | PRO | 0 | 0.053 | 0.035 | 49.640 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 284 | GLN | 0 | 0.014 | 0.001 | 49.187 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 285 | PHE | 0 | -0.079 | -0.026 | 48.411 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 286 | THR | 0 | 0.019 | 0.004 | 50.537 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 287 | GLY | 0 | 0.069 | 0.022 | 52.099 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 288 | ILE | 0 | 0.020 | 0.007 | 47.372 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 289 | LEU | 0 | 0.010 | 0.012 | 49.170 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 290 | GLN | 0 | 0.038 | 0.014 | 48.844 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 291 | LEU | 0 | -0.012 | 0.012 | 42.795 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 292 | LEU | 0 | -0.004 | -0.010 | 45.641 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 293 | GLN | 0 | -0.020 | -0.006 | 47.313 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 294 | SER | 0 | -0.016 | 0.008 | 44.650 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 295 | ARG | 1 | 0.994 | 0.996 | 39.402 | 7.487 | 7.487 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 296 | THR | 0 | 0.005 | -0.014 | 36.639 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 297 | SER | 0 | -0.075 | -0.024 | 36.303 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 298 | ARG | 1 | 0.955 | 0.944 | 33.205 | 8.533 | 8.533 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 299 | LYS | 1 | 0.945 | 0.980 | 30.826 | 8.742 | 8.742 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 300 | PHE | 0 | 0.057 | 0.027 | 30.350 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 301 | LEU | 0 | -0.002 | 0.017 | 31.586 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 302 | ALA | 0 | 0.025 | -0.002 | 28.251 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 303 | CYS | 0 | -0.111 | -0.030 | 26.593 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 304 | ARG | 1 | 0.891 | 0.939 | 25.106 | 10.867 | 10.867 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 305 | LEU | 0 | -0.022 | 0.009 | 25.807 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 306 | THR | 0 | 0.064 | 0.025 | 20.059 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 307 | PRO | 0 | 0.083 | 0.031 | 18.491 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 308 | ASP | -1 | -0.762 | -0.813 | 18.193 | -14.765 | -14.765 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 309 | MET | 0 | -0.020 | 0.025 | 20.240 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 310 | GLU | -1 | -0.752 | -0.846 | 23.691 | -11.264 | -11.264 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 311 | THR | 0 | -0.010 | -0.014 | 20.772 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 312 | LYS | 1 | 0.795 | 0.860 | 19.262 | 15.019 | 15.019 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 313 | LEU | 0 | 0.021 | 0.002 | 24.721 | 0.425 | 0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 314 | LEU | 0 | 0.011 | 0.013 | 26.420 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 315 | PHE | 0 | -0.005 | 0.026 | 25.679 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 316 | MET | 0 | -0.047 | -0.035 | 27.803 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 317 | THR | 0 | -0.016 | -0.019 | 30.326 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 318 | SER | 0 | -0.027 | -0.028 | 30.143 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 319 | ARG | 1 | 0.916 | 0.960 | 28.512 | 10.469 | 10.469 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 320 | VAL | 0 | -0.043 | 0.007 | 30.104 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 321 | ARG | 1 | 0.948 | 0.990 | 32.687 | 8.186 | 8.186 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 322 | PHE | 0 | 0.015 | -0.012 | 36.274 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 323 | GLY | 0 | -0.016 | 0.001 | 38.196 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 324 | GLN | 0 | -0.041 | -0.020 | 34.305 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 325 | GLN | 0 | 0.090 | 0.041 | 32.906 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 326 | LYS | 1 | 0.845 | 0.907 | 32.477 | 8.800 | 8.800 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 327 | ARG | 1 | 1.009 | 0.996 | 28.879 | 9.813 | 9.813 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 328 | TYR | 0 | 0.055 | 0.025 | 26.424 | -0.402 | -0.402 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 329 | GLN | 0 | 0.017 | 0.018 | 27.975 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 330 | ASP | -1 | -0.823 | -0.885 | 29.547 | -9.627 | -9.627 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 331 | TRP | 0 | -0.055 | -0.037 | 24.268 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 332 | PHE | 0 | 0.047 | 0.026 | 24.995 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 333 | GLN | 0 | 0.042 | -0.004 | 26.289 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 334 | ARG | 1 | 0.906 | 0.962 | 24.848 | 10.986 | 10.986 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 335 | GLN | 0 | -0.025 | 0.010 | 19.335 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 336 | TYR | 0 | -0.019 | -0.050 | 20.170 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 337 | LEU | 0 | -0.074 | -0.035 | 25.360 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 338 | SER | 0 | 0.009 | -0.007 | 27.362 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 339 | THR | 0 | 0.039 | 0.042 | 26.069 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 340 | PRO | 0 | 0.022 | 0.022 | 29.191 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 341 | ASP | -1 | -0.845 | -0.935 | 28.467 | -9.805 | -9.805 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 342 | SER | 0 | 0.000 | -0.005 | 27.978 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 343 | GLN | 0 | -0.013 | -0.020 | 29.532 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 344 | SER | 0 | -0.029 | -0.047 | 31.189 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 345 | LEU | 0 | 0.026 | 0.013 | 26.607 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 346 | ARG | 1 | 0.804 | 0.898 | 30.596 | 9.312 | 9.312 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 347 | CYS | 0 | -0.014 | -0.006 | 33.387 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 348 | ASP | -1 | -0.790 | -0.874 | 30.442 | -9.463 | -9.463 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 349 | LEU | 0 | 0.005 | 0.005 | 28.112 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 350 | ILE | 0 | -0.007 | 0.000 | 31.974 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 351 | ARG | 1 | 0.798 | 0.863 | 34.999 | 7.968 | 7.968 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 352 | TYR | 0 | -0.033 | -0.035 | 28.403 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 353 | ILE | 0 | -0.015 | -0.014 | 32.591 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 354 | CYS | 0 | -0.033 | -0.010 | 35.110 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 355 | GLY | 0 | 0.019 | 0.002 | 36.871 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 356 | VAL | 0 | -0.073 | -0.046 | 31.175 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 357 | VAL | 0 | -0.011 | 0.003 | 32.143 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 358 | HIS | 0 | -0.009 | -0.003 | 34.715 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 359 | PRO | 0 | 0.008 | -0.001 | 36.244 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 360 | SER | 0 | 0.059 | 0.027 | 37.323 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 361 | ASN | 0 | 0.034 | -0.004 | 39.267 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 362 | GLU | -1 | -0.874 | -0.913 | 39.158 | -7.450 | -7.450 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 363 | VAL | 0 | -0.033 | -0.014 | 35.726 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 364 | LEU | 0 | -0.051 | -0.020 | 38.850 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 365 | SER | 0 | -0.067 | -0.028 | 41.809 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 366 | SER | 0 | 0.010 | -0.008 | 39.621 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 367 | ASP | -1 | -0.886 | -0.956 | 39.370 | -7.858 | -7.858 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 368 | ILE | 0 | -0.019 | 0.002 | 34.596 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 369 | LEU | 0 | -0.063 | -0.041 | 33.434 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 370 | PRO | 0 | 0.042 | 0.030 | 36.584 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 371 | ARG | 1 | 0.799 | 0.866 | 36.880 | 7.848 | 7.848 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 372 | TRP | 0 | 0.072 | 0.029 | 38.254 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 373 | ALA | 0 | 0.006 | 0.012 | 38.760 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 374 | ILE | 0 | -0.008 | 0.003 | 32.818 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 375 | ILE | 0 | 0.010 | -0.003 | 36.349 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 376 | GLY | 0 | 0.017 | 0.004 | 38.500 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 377 | TRP | 0 | -0.017 | -0.014 | 30.069 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 378 | LEU | 0 | 0.023 | 0.014 | 32.218 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 379 | LEU | 0 | 0.024 | 0.005 | 36.092 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 380 | THR | 0 | -0.063 | -0.028 | 38.542 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 381 | THR | 0 | -0.067 | -0.013 | 33.644 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 382 | CYS | 0 | -0.071 | -0.033 | 36.067 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 383 | THR | 0 | 0.023 | 0.011 | 36.699 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 384 | SER | 0 | 0.004 | 0.014 | 38.336 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 385 | ASN | 0 | 0.055 | -0.004 | 40.634 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 386 | VAL | 0 | 0.023 | 0.019 | 40.286 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 387 | ALA | 0 | 0.039 | 0.027 | 37.354 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 388 | ALA | 0 | 0.043 | 0.017 | 39.222 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 389 | SER | 0 | -0.024 | -0.016 | 41.609 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 390 | ASN | 0 | 0.007 | -0.004 | 39.095 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 391 | ALA | 0 | 0.029 | 0.015 | 38.703 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 392 | LYS | 1 | 0.880 | 0.949 | 40.054 | 6.671 | 6.671 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 393 | LEU | 0 | 0.026 | 0.019 | 43.036 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 394 | ALA | 0 | -0.023 | -0.025 | 38.529 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 395 | LEU | 0 | -0.036 | -0.024 | 40.671 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 396 | PHE | 0 | 0.006 | -0.012 | 41.925 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 397 | TYR | 0 | -0.015 | -0.009 | 42.225 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 398 | ASP | -1 | -0.806 | -0.874 | 41.779 | -7.409 | -7.409 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 399 | TRP | 0 | 0.004 | -0.010 | 45.047 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 400 | LEU | 0 | -0.040 | -0.010 | 46.736 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 401 | PHE | 0 | 0.031 | 0.003 | 48.730 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 402 | PHE | 0 | -0.033 | -0.002 | 47.187 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 403 | SER | 0 | 0.024 | -0.021 | 49.752 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 404 | PRO | 0 | 0.003 | 0.002 | 50.066 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 405 | ASP | -1 | -0.802 | -0.842 | 50.521 | -6.114 | -6.114 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 406 | LYS | 1 | 0.811 | 0.896 | 47.858 | 5.943 | 5.943 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 407 | ASP | -1 | -0.818 | -0.891 | 45.422 | -7.022 | -7.022 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 408 | SER | 0 | 0.022 | 0.016 | 42.942 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 409 | ILE | 0 | 0.050 | 0.011 | 45.342 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 410 | MET | 0 | -0.009 | 0.001 | 41.326 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 411 | ASN | 0 | -0.016 | -0.014 | 40.178 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 412 | ILE | 0 | 0.001 | 0.017 | 42.627 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 413 | GLU | -1 | -0.865 | -0.927 | 42.604 | -7.356 | -7.356 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 414 | PRO | 0 | 0.039 | 0.016 | 40.685 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 415 | ALA | 0 | 0.027 | 0.014 | 43.212 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 416 | ILE | 0 | 0.038 | 0.016 | 45.479 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 417 | LEU | 0 | -0.012 | 0.004 | 44.828 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 418 | VAL | 0 | -0.022 | -0.001 | 42.690 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 419 | MET | 0 | -0.045 | 0.006 | 45.470 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 420 | HIS | 0 | 0.031 | 0.028 | 49.061 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 421 | HIS | 0 | -0.033 | -0.021 | 46.209 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 422 | SER | 0 | -0.049 | -0.034 | 46.245 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 423 | MET | 0 | 0.009 | 0.039 | 48.179 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 424 | LYS | 1 | 0.956 | 0.956 | 51.546 | 6.109 | 6.109 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 425 | PRO | 0 | -0.025 | -0.010 | 47.290 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 426 | HIS | 0 | 0.031 | 0.017 | 44.394 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 427 | PRO | 0 | 0.061 | 0.018 | 48.941 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 428 | ALA | 0 | 0.030 | 0.017 | 49.346 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 429 | ILE | 0 | 0.005 | 0.003 | 44.554 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 430 | THR | 0 | 0.011 | -0.024 | 47.987 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 431 | ALA | 0 | 0.039 | 0.022 | 50.490 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 432 | THR | 0 | -0.010 | 0.003 | 47.290 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 433 | LEU | 0 | -0.003 | -0.002 | 45.098 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 434 | LEU | 0 | 0.059 | 0.017 | 49.249 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 435 | ASP | -1 | -0.841 | -0.888 | 52.794 | -5.675 | -5.675 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 436 | PHE | 0 | -0.021 | -0.016 | 46.740 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 437 | MET | 0 | -0.017 | 0.001 | 51.030 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 438 | CYS | 0 | 0.004 | 0.010 | 52.029 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 439 | ARG | 1 | 0.894 | 0.923 | 53.428 | 5.655 | 5.655 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 440 | ILE | 0 | -0.005 | 0.002 | 48.775 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 441 | ILE | 0 | -0.018 | -0.004 | 52.255 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 442 | PRO | 0 | -0.005 | 0.002 | 54.855 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 443 | ASN | 0 | -0.061 | -0.047 | 53.596 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 444 | PHE | 0 | -0.048 | -0.010 | 46.301 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 445 | TYR | 0 | 0.047 | -0.007 | 51.073 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 446 | PRO | 0 | 0.059 | 0.043 | 53.304 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 447 | PRO | 0 | -0.003 | 0.009 | 55.804 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 448 | LEU | 0 | -0.042 | -0.019 | 52.780 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 449 | GLU | -1 | -0.781 | -0.858 | 55.881 | -5.285 | -5.285 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 450 | GLY | 0 | -0.025 | -0.020 | 57.504 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 451 | HIS | 0 | 0.009 | -0.006 | 54.873 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 452 | VAL | 0 | 0.021 | 0.021 | 52.115 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 453 | ARG | 1 | 0.846 | 0.896 | 54.308 | 5.154 | 5.154 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 454 | GLN | 0 | 0.014 | 0.009 | 56.871 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 455 | GLY | 0 | 0.068 | 0.054 | 52.852 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 456 | VAL | 0 | 0.002 | -0.003 | 51.743 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 457 | PHE | 0 | 0.015 | 0.012 | 53.548 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 458 | SER | 0 | 0.025 | 0.005 | 54.102 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 459 | SER | 0 | -0.056 | -0.047 | 50.542 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 460 | LEU | 0 | -0.051 | -0.024 | 52.203 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 461 | ASN | 0 | 0.007 | 0.007 | 54.346 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 462 | HIS | 0 | 0.063 | 0.043 | 49.726 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 463 | ILE | 0 | -0.047 | -0.038 | 49.402 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 464 | VAL | 0 | -0.007 | 0.005 | 52.372 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 465 | GLU | -1 | -0.935 | -0.967 | 55.191 | -5.630 | -5.630 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 466 | LYS | 1 | 0.872 | 0.925 | 50.151 | 6.217 | 6.217 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 467 | ARG | 1 | 0.864 | 0.928 | 51.777 | 5.417 | 5.417 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 468 | VAL | 0 | 0.010 | 0.026 | 47.945 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 469 | LEU | 0 | -0.002 | -0.008 | 50.474 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 470 | ALA | 0 | -0.046 | -0.021 | 52.958 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 471 | HIS | 0 | 0.043 | 0.017 | 56.434 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 472 | LEU | 0 | 0.067 | 0.036 | 54.673 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 473 | ALA | 0 | 0.071 | 0.056 | 57.975 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 474 | PRO | 0 | -0.030 | -0.013 | 58.167 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 475 | LEU | 0 | -0.032 | -0.013 | 52.878 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 476 | PHE | 0 | 0.044 | -0.020 | 54.957 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 477 | ASP | -1 | -0.768 | -0.858 | 58.928 | -4.873 | -4.873 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 478 | ASN | 0 | -0.042 | -0.015 | 57.896 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 479 | PRO | 0 | 0.013 | -0.013 | 60.286 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 480 | LYS | 1 | 0.833 | 0.927 | 54.300 | 5.779 | 5.779 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 481 | LEU | 0 | -0.056 | -0.011 | 55.209 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 482 | ASP | -1 | -0.822 | -0.916 | 58.509 | -5.065 | -5.065 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 483 | LYS | 1 | 0.983 | 0.977 | 60.450 | 4.719 | 4.719 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 484 | GLU | -1 | -0.943 | -0.962 | 60.583 | -5.150 | -5.150 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 485 | LEU | 0 | 0.012 | 0.005 | 55.496 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 486 | ARG | 1 | 0.836 | 0.908 | 59.858 | 5.002 | 5.002 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 487 | ALA | 0 | -0.037 | -0.013 | 61.955 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 488 | MET | 0 | 0.032 | 0.019 | 58.525 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 489 | LEU | 0 | -0.005 | -0.016 | 56.557 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 490 | ARG | 1 | 0.867 | 0.906 | 60.656 | 4.836 | 4.836 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 491 | GLU | -1 | -0.979 | -0.978 | 64.196 | -4.819 | -4.819 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 492 | LYS | 1 | 0.834 | 0.910 | 58.082 | 5.354 | 5.354 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 493 | PHE | 0 | -0.027 | -0.022 | 56.398 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 494 | PRO | 0 | 0.054 | 0.028 | 61.748 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 495 | GLU | -1 | -0.917 | -0.963 | 63.010 | -5.004 | -5.004 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 496 | PHE | 0 | -0.045 | -0.022 | 58.391 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 497 | CYS | 0 | -0.073 | -0.012 | 61.463 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |