FMODB ID: 6NN7Z
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 | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 463 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9009134.700932 |
---|---|
FMO2-HF: Nuclear repulsion | 8819738.629795 |
FMO2-HF: Total energy | -189396.071137 |
FMO2-MP2: Total energy | -189936.766224 |
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. |
-151.656 | -147.483 | 34.074 | -17.82 | -20.428 | -0.183 |
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 | -0.078 | -0.039 | 2.291 | 9.611 | 12.917 | 0.902 | -1.835 | -2.372 | 0.003 |
4 | A | 38 | LEU | 0 | 0.017 | 0.013 | 2.587 | -8.727 | -7.572 | 1.421 | -0.841 | -1.736 | -0.012 |
5 | A | 39 | SER | 0 | -0.065 | -0.047 | 4.555 | -1.458 | -1.307 | -0.001 | -0.003 | -0.146 | 0.000 |
6 | A | 40 | THR | 0 | -0.025 | -0.031 | 6.286 | 0.760 | 0.760 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 41 | SER | 0 | -0.001 | -0.012 | 8.003 | -2.145 | -2.145 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 42 | LEU | 0 | -0.042 | -0.019 | 10.037 | 1.507 | 1.507 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 43 | ASP | -1 | -0.859 | -0.894 | 7.903 | -27.178 | -27.178 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 44 | ALA | 0 | -0.002 | 0.001 | 8.912 | -1.513 | -1.513 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 45 | LYS | 1 | 0.827 | 0.895 | 6.724 | 31.731 | 31.731 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 46 | ASP | -1 | -0.748 | -0.864 | 6.202 | -26.987 | -26.987 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 47 | GLU | -1 | -0.772 | -0.856 | 7.332 | -31.117 | -31.117 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 48 | LEU | 0 | -0.047 | -0.008 | 9.006 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 49 | GLU | -1 | -0.757 | -0.892 | 2.429 | -77.782 | -75.162 | 4.633 | -2.965 | -4.288 | -0.038 |
16 | A | 50 | GLU | -1 | -0.773 | -0.867 | 5.499 | -39.907 | -39.907 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 51 | ARG | 1 | 0.827 | 0.893 | 6.595 | 22.206 | 22.206 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 52 | LEU | 0 | 0.016 | 0.012 | 7.193 | 2.468 | 2.468 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 53 | GLU | -1 | -0.783 | -0.890 | 1.782 | -123.297 | -127.555 | 24.979 | -11.225 | -9.497 | -0.136 |
20 | A | 54 | ARG | 1 | 0.769 | 0.845 | 6.371 | 32.851 | 32.851 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 55 | CYS | 0 | -0.048 | -0.022 | 9.115 | 2.763 | 2.763 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 56 | MET | 0 | 0.026 | 0.012 | 3.518 | 2.696 | 2.839 | 0.002 | -0.027 | -0.117 | 0.000 |
23 | A | 57 | SER | 0 | -0.005 | 0.018 | 8.912 | 1.437 | 1.437 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 58 | ILE | 0 | -0.039 | -0.009 | 10.561 | 1.742 | 1.742 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 59 | VAL | 0 | 0.023 | 0.012 | 11.759 | 1.177 | 1.177 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 60 | THR | 0 | -0.009 | -0.012 | 9.521 | 1.115 | 1.115 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 61 | SER | 0 | -0.030 | -0.014 | 12.632 | 1.133 | 1.133 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 62 | MET | 0 | -0.075 | -0.015 | 15.314 | 0.951 | 0.951 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 63 | THR | 0 | -0.059 | -0.054 | 14.943 | 0.623 | 0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 64 | ALA | 0 | 0.003 | 0.010 | 14.474 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 65 | GLY | 0 | -0.030 | -0.017 | 16.510 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 66 | VAL | 0 | -0.022 | 0.009 | 19.846 | 0.640 | 0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 67 | SER | 0 | -0.032 | -0.055 | 21.220 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 68 | GLU | -1 | -0.851 | -0.954 | 20.977 | -12.734 | -12.734 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 69 | ARG | 1 | 0.838 | 0.918 | 22.141 | 10.164 | 10.164 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 70 | GLU | -1 | -0.783 | -0.857 | 23.860 | -11.301 | -11.301 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 71 | ALA | 0 | 0.034 | 0.031 | 18.917 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 72 | ASN | 0 | 0.009 | 0.001 | 20.615 | -0.851 | -0.851 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 73 | ASP | -1 | -0.831 | -0.899 | 22.004 | -10.637 | -10.637 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 74 | ALA | 0 | 0.005 | 0.004 | 21.167 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 75 | LEU | 0 | 0.009 | -0.003 | 16.466 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 76 | ASN | 0 | -0.025 | -0.027 | 20.417 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 77 | ALA | 0 | 0.014 | 0.019 | 23.795 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 78 | TYR | 0 | -0.050 | -0.038 | 18.617 | 0.574 | 0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 79 | VAL | 0 | 0.023 | 0.010 | 20.436 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 80 | CYS | 0 | -0.049 | -0.005 | 22.773 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 81 | LYS | 1 | 0.828 | 0.910 | 24.181 | 11.733 | 11.733 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 82 | GLY | 0 | 0.050 | 0.024 | 24.890 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 83 | LEU | 0 | 0.016 | 0.009 | 23.713 | -0.386 | -0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 84 | PRO | 0 | 0.009 | 0.010 | 20.486 | -0.408 | -0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 85 | GLN | 0 | 0.059 | 0.032 | 19.195 | -0.587 | -0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 86 | HIS | 0 | 0.059 | 0.027 | 19.124 | -0.396 | -0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 87 | GLU | -1 | -0.857 | -0.909 | 17.041 | -17.814 | -17.814 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 88 | GLU | -1 | -0.842 | -0.923 | 14.899 | -18.629 | -18.629 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 89 | ILE | 0 | 0.031 | 0.015 | 13.937 | -1.297 | -1.297 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 90 | CYS | 0 | -0.005 | 0.000 | 14.549 | -0.530 | -0.530 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 91 | LEU | 0 | 0.006 | -0.009 | 11.979 | -0.742 | -0.742 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 92 | GLY | 0 | -0.005 | 0.018 | 9.916 | -2.180 | -2.180 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 93 | LEU | 0 | 0.009 | 0.003 | 9.827 | -1.242 | -1.242 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 94 | PHE | 0 | -0.007 | -0.008 | 11.193 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 95 | THR | 0 | -0.010 | -0.033 | 5.149 | -1.337 | -1.337 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 96 | LEU | 0 | 0.046 | 0.027 | 6.594 | -2.371 | -2.371 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 97 | ILE | 0 | -0.037 | -0.011 | 8.377 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 98 | LEU | 0 | -0.019 | -0.009 | 7.555 | 0.527 | 0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 99 | THR | 0 | -0.036 | -0.040 | 2.843 | -2.356 | -1.730 | 0.088 | -0.240 | -0.475 | 0.001 |
66 | A | 100 | GLU | -1 | -0.860 | -0.908 | 5.453 | -24.439 | -24.439 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 101 | PRO | 0 | 0.019 | 0.001 | 8.045 | 1.960 | 1.960 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 102 | ALA | 0 | -0.028 | -0.010 | 11.133 | 1.183 | 1.183 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 103 | GLN | 0 | -0.020 | -0.021 | 10.221 | 1.650 | 1.650 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 104 | ALA | 0 | 0.000 | 0.018 | 11.726 | 0.761 | 0.761 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 105 | GLN | 0 | 0.015 | -0.003 | 13.191 | 0.810 | 0.810 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 106 | LYS | 1 | 0.754 | 0.869 | 16.299 | 14.982 | 14.982 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 107 | CYS | 0 | 0.013 | 0.002 | 12.968 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 108 | TYR | 0 | -0.004 | -0.020 | 15.140 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 109 | ARG | 1 | 0.948 | 0.977 | 17.215 | 13.149 | 13.149 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 110 | ASP | -1 | -0.795 | -0.894 | 17.092 | -14.360 | -14.360 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 111 | LEU | 0 | -0.032 | -0.016 | 14.955 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 112 | ALA | 0 | -0.005 | -0.014 | 18.223 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 113 | LEU | 0 | -0.065 | -0.015 | 21.595 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 114 | VAL | 0 | -0.028 | -0.011 | 19.083 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 115 | SER | 0 | -0.024 | -0.020 | 20.657 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 116 | ARG | 1 | 0.838 | 0.887 | 22.031 | 11.742 | 11.742 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 117 | ASP | -1 | -0.819 | -0.909 | 22.037 | -13.254 | -13.254 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 118 | GLY | 0 | 0.015 | 0.013 | 24.830 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 119 | MET | 0 | 0.005 | 0.000 | 19.459 | -0.370 | -0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 120 | ASN | 0 | 0.029 | 0.038 | 20.119 | -0.757 | -0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 121 | ILE | 0 | 0.018 | -0.004 | 17.213 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 122 | VAL | 0 | 0.010 | 0.009 | 14.740 | -0.976 | -0.976 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 123 | LEU | 0 | 0.020 | 0.015 | 16.493 | -0.905 | -0.905 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 124 | ASN | 0 | -0.050 | -0.022 | 18.811 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 125 | LYS | 1 | 0.884 | 0.949 | 12.409 | 20.734 | 20.734 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 126 | ILE | 0 | 0.035 | 0.019 | 14.266 | -1.183 | -1.183 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 127 | ASN | 0 | 0.000 | -0.005 | 15.438 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 128 | GLN | 0 | -0.003 | -0.005 | 14.594 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 129 | ILE | 0 | 0.005 | -0.006 | 9.940 | -0.589 | -0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 130 | LEU | 0 | -0.041 | -0.023 | 12.631 | -0.532 | -0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 131 | MET | 0 | -0.013 | -0.011 | 15.052 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 132 | GLU | -1 | -0.865 | -0.923 | 13.187 | -20.383 | -20.383 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 133 | LYS | 1 | 0.790 | 0.885 | 8.982 | 25.217 | 25.217 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 134 | TYR | 0 | 0.055 | 0.037 | 9.955 | -1.735 | -1.735 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 135 | LEU | 0 | -0.022 | -0.021 | 11.455 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 136 | LYS | 1 | 0.919 | 0.951 | 6.523 | 33.746 | 33.746 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 137 | LEU | 0 | -0.020 | 0.018 | 6.759 | -2.868 | -2.868 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 138 | GLN | 0 | 0.024 | -0.001 | 2.334 | 6.516 | 6.946 | 2.050 | -0.684 | -1.797 | -0.001 |
105 | A | 139 | ASP | -1 | -0.790 | -0.891 | 6.791 | -20.217 | -20.217 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 140 | THR | 0 | 0.021 | 0.022 | 6.236 | 2.398 | 2.398 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 141 | CYS | 0 | 0.020 | 0.025 | 5.969 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 142 | ARG | 1 | 0.788 | 0.902 | 8.608 | 24.345 | 24.345 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 143 | THR | 0 | -0.005 | -0.017 | 11.783 | 1.774 | 1.774 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 144 | GLN | 0 | -0.027 | -0.016 | 9.551 | 2.123 | 2.123 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 145 | LEU | 0 | -0.007 | 0.001 | 12.250 | 0.929 | 0.929 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 146 | VAL | 0 | -0.017 | -0.012 | 13.796 | 1.114 | 1.114 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 147 | TRP | 0 | -0.035 | -0.010 | 14.566 | 0.605 | 0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 148 | LEU | 0 | 0.051 | 0.020 | 13.625 | 0.668 | 0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 149 | VAL | 0 | -0.015 | -0.014 | 16.625 | 0.736 | 0.736 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 150 | ARG | 1 | 0.868 | 0.918 | 19.306 | 12.851 | 12.851 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 151 | GLU | -1 | -0.809 | -0.881 | 19.218 | -11.983 | -11.983 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 152 | LEU | 0 | -0.017 | -0.007 | 17.835 | 0.525 | 0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 153 | VAL | 0 | -0.023 | -0.013 | 21.735 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 154 | LYS | 1 | 0.822 | 0.899 | 22.940 | 12.371 | 12.371 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 155 | SER | 0 | -0.054 | -0.018 | 23.505 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 156 | GLY | 0 | -0.020 | -0.006 | 25.766 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 157 | VAL | 0 | -0.032 | -0.009 | 22.473 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 158 | LEU | 0 | 0.018 | 0.002 | 25.545 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 159 | GLY | 0 | 0.042 | 0.025 | 25.327 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 160 | ALA | 0 | 0.029 | 0.007 | 23.043 | -0.460 | -0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 161 | ASP | -1 | -0.793 | -0.878 | 24.081 | -10.934 | -10.934 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 162 | GLY | 0 | -0.009 | -0.013 | 25.504 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 163 | VAL | 0 | -0.002 | 0.003 | 19.395 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 164 | CYS | 0 | -0.004 | 0.000 | 21.261 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 165 | MET | 0 | -0.058 | -0.015 | 23.286 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 166 | THR | 0 | -0.023 | -0.022 | 19.084 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 167 | PHE | 0 | 0.016 | -0.003 | 15.647 | -0.549 | -0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 168 | MET | 0 | -0.003 | 0.007 | 19.929 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 169 | LYS | 1 | 0.752 | 0.873 | 21.820 | 12.746 | 12.746 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 170 | GLN | 0 | -0.053 | -0.041 | 16.535 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 171 | ILE | 0 | -0.034 | 0.013 | 18.988 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 172 | ALA | 0 | 0.014 | 0.019 | 21.080 | 0.550 | 0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 173 | GLY | 0 | 0.025 | 0.015 | 22.702 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 174 | GLY | 0 | -0.038 | -0.029 | 26.315 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 175 | ASP | -1 | -0.832 | -0.906 | 21.387 | -13.216 | -13.216 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 176 | VAL | 0 | 0.023 | 0.009 | 25.015 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 177 | THR | 0 | -0.040 | -0.040 | 20.453 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 178 | ALA | 0 | 0.030 | 0.004 | 20.033 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 179 | LYS | 1 | 0.850 | 0.906 | 12.975 | 19.270 | 19.270 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 180 | ASN | 0 | -0.008 | -0.008 | 17.836 | -0.640 | -0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 181 | ILE | 0 | -0.010 | -0.001 | 20.150 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 182 | TRP | 0 | 0.013 | 0.015 | 15.165 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 183 | LEU | 0 | 0.002 | 0.020 | 17.021 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 184 | ALA | 0 | -0.002 | -0.002 | 19.683 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 185 | GLU | -1 | -0.826 | -0.902 | 23.411 | -10.467 | -10.467 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 186 | SER | 0 | -0.006 | -0.016 | 20.209 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 187 | VAL | 0 | -0.013 | -0.016 | 20.583 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 188 | LEU | 0 | -0.004 | 0.014 | 23.062 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 189 | ASP | -1 | -0.772 | -0.882 | 24.994 | -10.392 | -10.392 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 190 | ILE | 0 | -0.079 | -0.020 | 20.700 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 191 | LEU | 0 | -0.013 | -0.025 | 25.341 | 0.358 | 0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 192 | THR | 0 | -0.009 | -0.015 | 28.443 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 193 | GLU | -1 | -0.862 | -0.902 | 26.004 | -10.713 | -10.713 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 194 | GLN | 0 | -0.018 | -0.016 | 26.519 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 195 | ARG | 1 | 0.835 | 0.898 | 29.864 | 8.166 | 8.166 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 196 | GLU | -1 | -0.832 | -0.909 | 32.979 | -8.407 | -8.407 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 197 | TRP | 0 | 0.076 | 0.023 | 26.361 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 198 | VAL | 0 | -0.001 | -0.003 | 29.798 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 199 | LEU | 0 | -0.085 | -0.040 | 32.137 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 200 | LYS | 1 | 0.766 | 0.880 | 33.715 | 8.846 | 8.846 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 201 | SER | 0 | -0.016 | -0.025 | 31.221 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 202 | SER | 0 | 0.043 | 0.008 | 33.667 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 203 | ILE | 0 | -0.028 | -0.015 | 31.205 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 204 | LEU | 0 | 0.032 | 0.015 | 27.526 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 205 | ILE | 0 | 0.029 | 0.022 | 30.885 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 206 | ALA | 0 | 0.006 | 0.010 | 33.700 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 207 | MET | 0 | -0.006 | -0.019 | 27.991 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 208 | ALA | 0 | 0.001 | 0.009 | 29.248 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 209 | VAL | 0 | 0.038 | 0.017 | 30.237 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 210 | TYR | 0 | 0.015 | -0.011 | 31.179 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 211 | THR | 0 | -0.032 | -0.036 | 26.227 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 212 | TYR | 0 | -0.022 | -0.041 | 25.083 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 213 | LEU | 0 | -0.004 | -0.002 | 30.620 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 214 | ARG | 1 | 0.717 | 0.831 | 30.132 | 9.785 | 9.785 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 215 | LEU | 0 | -0.039 | -0.008 | 25.872 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 216 | ILE | 0 | 0.024 | 0.021 | 29.830 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 217 | VAL | 0 | -0.027 | -0.014 | 33.022 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 218 | ASP | -1 | -0.760 | -0.847 | 28.828 | -9.904 | -9.904 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 219 | HIS | 1 | 0.795 | 0.888 | 26.385 | 10.377 | 10.377 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 220 | HIS | 0 | -0.019 | -0.013 | 31.110 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 221 | GLY | 0 | 0.044 | 0.019 | 32.468 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 222 | THR | 0 | 0.005 | -0.002 | 29.846 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 223 | ALA | 0 | 0.053 | 0.019 | 33.045 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 224 | GLN | 0 | 0.026 | 0.020 | 24.546 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 225 | LEU | 0 | -0.021 | -0.001 | 27.369 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 226 | GLN | 0 | 0.082 | 0.041 | 30.573 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 227 | ALA | 0 | 0.000 | 0.002 | 31.757 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 228 | LEU | 0 | 0.008 | 0.011 | 26.405 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 229 | ARG | 1 | 0.848 | 0.928 | 30.363 | 8.482 | 8.482 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 230 | GLN | 0 | -0.091 | -0.048 | 32.935 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 231 | LYS | 1 | 0.836 | 0.895 | 27.793 | 10.487 | 10.487 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 232 | GLU | -1 | -0.793 | -0.890 | 28.671 | -10.069 | -10.069 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 233 | VAL | 0 | 0.003 | -0.002 | 32.407 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 234 | ASP | -1 | -0.830 | -0.911 | 36.207 | -7.711 | -7.711 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 235 | PHE | 0 | -0.043 | -0.017 | 30.799 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 236 | CYS | 0 | -0.043 | -0.031 | 33.614 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 237 | ILE | 0 | -0.009 | -0.006 | 35.887 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 238 | SER | 0 | 0.003 | 0.009 | 37.309 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 239 | LEU | 0 | -0.019 | 0.003 | 33.377 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 240 | LEU | 0 | -0.008 | -0.025 | 38.008 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 241 | ARG | 1 | 0.818 | 0.887 | 40.460 | 6.834 | 6.834 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 242 | GLU | -1 | -0.749 | -0.833 | 40.554 | -7.527 | -7.527 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 243 | ARG | 1 | 0.787 | 0.872 | 38.944 | 7.862 | 7.862 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 244 | PHE | 0 | 0.072 | 0.036 | 40.672 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 245 | MET | 0 | -0.032 | -0.011 | 42.677 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 246 | GLU | -1 | -0.793 | -0.905 | 37.833 | -7.755 | -7.755 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 247 | CYS | 0 | -0.068 | -0.023 | 38.231 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 248 | LEU | 0 | 0.010 | 0.000 | 39.304 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 249 | MET | 0 | -0.060 | -0.015 | 36.691 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 250 | ILE | 0 | -0.076 | -0.027 | 35.483 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 251 | GLY | 0 | 0.048 | 0.023 | 37.777 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 252 | ARG | 1 | 0.774 | 0.831 | 40.532 | 6.857 | 6.857 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 253 | ASP | -1 | -0.758 | -0.836 | 37.050 | -8.071 | -8.071 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 254 | LEU | 0 | 0.003 | 0.011 | 38.088 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 255 | VAL | 0 | 0.024 | 0.010 | 39.270 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 256 | ARG | 1 | 0.796 | 0.902 | 34.151 | 8.553 | 8.553 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 257 | LEU | 0 | -0.037 | -0.024 | 33.795 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 258 | LEU | 0 | 0.063 | 0.026 | 37.833 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 259 | GLN | 0 | 0.030 | 0.028 | 40.679 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 260 | ASN | 0 | -0.068 | -0.033 | 37.243 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 261 | VAL | 0 | 0.014 | 0.011 | 36.742 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 262 | ALA | 0 | -0.009 | -0.001 | 39.897 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 263 | ARG | 1 | 0.931 | 0.963 | 42.884 | 6.831 | 6.831 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 264 | ILE | 0 | 0.004 | 0.028 | 37.826 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 265 | PRO | 0 | 0.045 | 0.023 | 42.156 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 266 | GLU | -1 | -0.785 | -0.899 | 41.131 | -7.219 | -7.219 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 267 | PHE | 0 | 0.019 | -0.013 | 37.805 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 268 | GLU | -1 | -0.902 | -0.926 | 43.213 | -6.151 | -6.151 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 269 | LEU | 0 | -0.025 | -0.021 | 46.608 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 270 | LEU | 0 | 0.000 | -0.004 | 42.389 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 271 | TRP | 0 | -0.016 | -0.036 | 43.486 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 272 | LYS | 1 | 0.836 | 0.910 | 47.705 | 6.206 | 6.206 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 273 | ASP | -1 | -0.745 | -0.852 | 48.663 | -6.100 | -6.100 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 274 | ILE | 0 | -0.045 | -0.030 | 44.656 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 275 | ILE | 0 | -0.081 | -0.032 | 49.312 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 276 | HIS | 0 | -0.036 | -0.017 | 52.430 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 277 | ASN | 0 | -0.060 | -0.028 | 52.861 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 278 | PRO | 0 | 0.027 | 0.032 | 50.720 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 279 | GLN | 0 | 0.004 | -0.015 | 50.424 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 280 | ALA | 0 | -0.030 | -0.003 | 51.593 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 281 | LEU | 0 | -0.045 | -0.016 | 45.862 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 282 | SER | 0 | -0.006 | -0.014 | 46.859 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 283 | PRO | 0 | 0.048 | 0.030 | 49.146 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 284 | GLN | 0 | 0.027 | 0.010 | 49.087 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 285 | PHE | 0 | -0.074 | -0.029 | 47.933 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 286 | THR | 0 | 0.012 | -0.003 | 50.102 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 287 | GLY | 0 | 0.066 | 0.021 | 51.775 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 288 | ILE | 0 | 0.004 | 0.000 | 47.047 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 289 | LEU | 0 | 0.021 | 0.013 | 48.671 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 290 | GLN | 0 | 0.037 | 0.016 | 48.379 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 291 | LEU | 0 | 0.002 | 0.015 | 42.166 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 292 | LEU | 0 | -0.023 | -0.012 | 44.985 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 293 | GLN | 0 | 0.000 | -0.001 | 46.758 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 294 | SER | 0 | -0.024 | 0.006 | 44.059 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 295 | ARG | 1 | 0.924 | 0.966 | 39.195 | 7.498 | 7.498 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 296 | THR | 0 | -0.016 | -0.030 | 36.519 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 297 | SER | 0 | -0.006 | 0.010 | 36.337 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 298 | ARG | 1 | 0.915 | 0.938 | 32.862 | 8.600 | 8.600 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 299 | LYS | 1 | 0.943 | 0.981 | 30.421 | 8.735 | 8.735 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 300 | PHE | 0 | 0.062 | 0.033 | 29.824 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 301 | LEU | 0 | -0.009 | 0.008 | 30.979 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 302 | ALA | 0 | 0.034 | 0.004 | 27.617 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 303 | CYS | 0 | -0.090 | -0.020 | 26.071 | -0.395 | -0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 304 | ARG | 1 | 0.874 | 0.926 | 24.722 | 11.097 | 11.097 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 305 | LEU | 0 | -0.016 | 0.012 | 25.353 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 306 | THR | 0 | 0.089 | 0.033 | 19.533 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 307 | PRO | 0 | 0.078 | 0.028 | 18.070 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 308 | ASP | -1 | -0.780 | -0.814 | 17.910 | -14.959 | -14.959 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 309 | MET | 0 | -0.022 | 0.017 | 19.955 | 0.578 | 0.578 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 310 | GLU | -1 | -0.774 | -0.862 | 23.456 | -11.556 | -11.556 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 311 | THR | 0 | 0.004 | -0.013 | 20.597 | 0.421 | 0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 312 | LYS | 1 | 0.797 | 0.870 | 19.214 | 15.056 | 15.056 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 313 | LEU | 0 | 0.036 | 0.015 | 24.564 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 314 | LEU | 0 | 0.021 | 0.029 | 25.874 | 0.438 | 0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 315 | PHE | 0 | 0.005 | 0.025 | 25.191 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 316 | MET | 0 | -0.045 | -0.039 | 27.322 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 317 | THR | 0 | -0.030 | -0.035 | 29.860 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 318 | SER | 0 | -0.028 | -0.033 | 29.760 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 319 | ARG | 1 | 0.896 | 0.950 | 27.908 | 10.481 | 10.481 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 320 | VAL | 0 | -0.049 | 0.009 | 29.405 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 321 | ARG | 1 | 0.885 | 0.930 | 31.980 | 8.235 | 8.235 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 322 | PHE | 0 | 0.013 | -0.010 | 35.576 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 323 | GLY | 0 | -0.024 | 0.001 | 37.946 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 324 | GLN | 0 | -0.008 | -0.008 | 34.052 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 325 | GLN | 0 | 0.050 | 0.021 | 32.289 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 326 | LYS | 1 | 0.854 | 0.914 | 31.839 | 8.824 | 8.824 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 327 | ARG | 1 | 1.005 | 0.992 | 28.677 | 9.912 | 9.912 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 328 | TYR | 0 | 0.055 | 0.024 | 25.922 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 329 | GLN | 0 | 0.019 | 0.018 | 27.871 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 330 | ASP | -1 | -0.845 | -0.900 | 29.228 | -9.715 | -9.715 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 331 | TRP | 0 | -0.041 | -0.031 | 23.920 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 332 | PHE | 0 | 0.049 | 0.030 | 24.712 | -0.347 | -0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 333 | GLN | 0 | 0.061 | 0.017 | 26.036 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 334 | ARG | 1 | 0.905 | 0.969 | 24.888 | 10.979 | 10.979 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 335 | GLN | 0 | -0.026 | 0.008 | 19.253 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 336 | TYR | 0 | -0.016 | -0.048 | 19.929 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 337 | LEU | 0 | -0.046 | -0.022 | 25.230 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 338 | SER | 0 | -0.012 | -0.020 | 27.387 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 339 | THR | 0 | -0.019 | -0.011 | 26.195 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 340 | PRO | 0 | 0.030 | 0.018 | 29.445 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 341 | ASP | -1 | -0.782 | -0.881 | 28.355 | -10.026 | -10.026 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 342 | SER | 0 | -0.017 | -0.011 | 27.972 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 343 | GLN | 0 | -0.008 | 0.007 | 29.522 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 344 | SER | 0 | -0.010 | -0.028 | 30.929 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 345 | LEU | 0 | 0.021 | 0.008 | 26.523 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 346 | ARG | 1 | 0.781 | 0.869 | 30.566 | 9.303 | 9.303 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 347 | CYS | 0 | -0.012 | -0.001 | 33.325 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 348 | ASP | -1 | -0.749 | -0.859 | 30.641 | -9.212 | -9.212 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 349 | LEU | 0 | 0.020 | 0.014 | 27.862 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 350 | ILE | 0 | -0.007 | 0.004 | 31.720 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 351 | ARG | 1 | 0.776 | 0.851 | 34.563 | 8.030 | 8.030 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 352 | TYR | 0 | -0.031 | -0.038 | 27.795 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 353 | ILE | 0 | -0.011 | -0.009 | 32.319 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 354 | CYS | 0 | -0.025 | -0.005 | 34.829 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 355 | GLY | 0 | 0.031 | 0.017 | 36.534 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 356 | VAL | 0 | -0.065 | -0.037 | 30.743 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 357 | VAL | 0 | -0.001 | 0.003 | 31.620 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 358 | HIS | 0 | -0.024 | -0.020 | 34.161 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 359 | PRO | 0 | 0.008 | -0.002 | 35.604 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 360 | SER | 0 | 0.051 | 0.026 | 36.867 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 361 | ASN | 0 | 0.021 | -0.002 | 38.804 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 362 | GLU | -1 | -0.835 | -0.912 | 38.724 | -7.565 | -7.565 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 363 | VAL | 0 | -0.050 | -0.010 | 35.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 364 | LEU | 0 | -0.044 | -0.025 | 38.513 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 365 | SER | 0 | -0.048 | -0.024 | 41.485 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 366 | SER | 0 | -0.022 | -0.008 | 39.055 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 367 | ASP | -1 | -0.824 | -0.911 | 39.401 | -7.840 | -7.840 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 368 | ILE | 0 | -0.015 | -0.002 | 33.935 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 369 | LEU | 0 | -0.046 | -0.026 | 33.003 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 370 | PRO | 0 | 0.014 | 0.018 | 36.250 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 371 | ARG | 1 | 0.777 | 0.857 | 36.700 | 7.902 | 7.902 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 372 | TRP | 0 | 0.073 | 0.021 | 37.920 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 373 | ALA | 0 | -0.009 | 0.004 | 38.035 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 374 | ILE | 0 | -0.010 | 0.001 | 32.262 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 375 | ILE | 0 | 0.026 | 0.016 | 35.776 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 376 | GLY | 0 | 0.025 | 0.012 | 38.147 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 377 | TRP | 0 | -0.023 | -0.016 | 29.522 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 378 | LEU | 0 | 0.031 | 0.025 | 31.922 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 379 | LEU | 0 | 0.045 | 0.017 | 35.796 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 380 | THR | 0 | -0.072 | -0.044 | 38.031 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 381 | THR | 0 | -0.056 | -0.017 | 33.247 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 382 | CYS | 0 | -0.050 | -0.018 | 35.715 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 383 | THR | 0 | -0.002 | -0.008 | 36.634 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 384 | SER | 0 | 0.007 | 0.003 | 37.944 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 385 | ASN | 0 | 0.053 | 0.002 | 40.333 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 386 | VAL | 0 | 0.016 | 0.019 | 39.731 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 387 | ALA | 0 | 0.043 | 0.028 | 37.006 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 388 | ALA | 0 | 0.030 | 0.007 | 38.770 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 389 | SER | 0 | -0.023 | -0.009 | 41.428 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 390 | ASN | 0 | 0.016 | 0.001 | 39.182 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 391 | ALA | 0 | 0.029 | 0.018 | 38.262 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 392 | LYS | 1 | 0.846 | 0.920 | 39.592 | 6.623 | 6.623 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 393 | LEU | 0 | 0.005 | 0.008 | 42.475 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 394 | ALA | 0 | -0.012 | -0.019 | 38.062 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 395 | LEU | 0 | -0.039 | -0.021 | 40.205 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 396 | PHE | 0 | 0.014 | -0.009 | 41.606 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 397 | TYR | 0 | -0.033 | -0.026 | 41.809 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 398 | ASP | -1 | -0.786 | -0.866 | 41.437 | -7.486 | -7.486 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 399 | TRP | 0 | 0.013 | 0.000 | 44.667 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 400 | LEU | 0 | -0.040 | -0.011 | 46.252 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 401 | PHE | 0 | 0.019 | -0.004 | 48.269 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 402 | PHE | 0 | -0.030 | 0.007 | 46.575 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 403 | SER | 0 | 0.027 | -0.018 | 49.300 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 404 | PRO | 0 | 0.000 | -0.006 | 49.870 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 405 | ASP | -1 | -0.795 | -0.838 | 50.690 | -6.121 | -6.121 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 406 | LYS | 1 | 0.781 | 0.870 | 47.432 | 6.038 | 6.038 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 407 | ASP | -1 | -0.781 | -0.871 | 45.131 | -7.086 | -7.086 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 408 | SER | 0 | 0.005 | 0.011 | 41.996 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 409 | ILE | 0 | 0.064 | 0.021 | 44.599 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 410 | MET | 0 | -0.005 | 0.016 | 40.664 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 411 | ASN | 0 | -0.001 | -0.019 | 39.802 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 412 | ILE | 0 | -0.010 | 0.012 | 42.340 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 413 | GLU | -1 | -0.819 | -0.912 | 41.956 | -7.439 | -7.439 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 414 | PRO | 0 | 0.029 | 0.008 | 40.216 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 415 | ALA | 0 | 0.021 | 0.016 | 42.581 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 416 | ILE | 0 | 0.043 | 0.017 | 45.040 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 417 | LEU | 0 | -0.017 | 0.001 | 44.618 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 418 | VAL | 0 | -0.011 | 0.005 | 42.205 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 419 | MET | 0 | -0.042 | 0.004 | 44.995 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 420 | HIS | 0 | 0.024 | 0.019 | 48.676 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 421 | HIS | 0 | -0.022 | -0.006 | 45.721 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 422 | SER | 0 | -0.036 | -0.035 | 46.021 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 423 | MET | 0 | 0.026 | 0.049 | 47.861 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 424 | LYS | 1 | 0.954 | 0.974 | 50.952 | 6.190 | 6.190 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 425 | PRO | 0 | -0.034 | -0.027 | 46.930 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 426 | HIS | 0 | 0.034 | 0.022 | 44.149 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 427 | PRO | 0 | 0.043 | 0.008 | 48.650 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 428 | ALA | 0 | 0.043 | 0.025 | 49.157 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 429 | ILE | 0 | 0.004 | 0.002 | 44.265 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 430 | THR | 0 | 0.019 | -0.020 | 47.689 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 431 | ALA | 0 | 0.037 | 0.015 | 50.254 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 432 | THR | 0 | -0.006 | 0.001 | 47.338 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 433 | LEU | 0 | -0.023 | -0.002 | 44.912 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 434 | LEU | 0 | 0.086 | 0.025 | 49.092 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 435 | ASP | -1 | -0.842 | -0.885 | 52.523 | -5.702 | -5.702 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 436 | PHE | 0 | 0.001 | -0.002 | 46.246 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 437 | MET | 0 | -0.017 | 0.001 | 50.860 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 438 | CYS | 0 | -0.006 | 0.002 | 51.860 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 439 | ARG | 1 | 0.835 | 0.894 | 53.404 | 5.655 | 5.655 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 440 | ILE | 0 | -0.019 | -0.004 | 48.456 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 441 | ILE | 0 | -0.004 | -0.002 | 51.977 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 442 | PRO | 0 | -0.003 | 0.003 | 54.404 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 443 | ASN | 0 | -0.047 | -0.045 | 53.057 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 444 | PHE | 0 | -0.045 | -0.010 | 45.867 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 445 | TYR | 0 | 0.056 | -0.004 | 50.557 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 446 | PRO | 0 | 0.060 | 0.041 | 53.113 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 447 | PRO | 0 | -0.023 | -0.005 | 55.822 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 448 | LEU | 0 | -0.013 | 0.000 | 52.685 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 449 | GLU | -1 | -0.804 | -0.869 | 55.984 | -5.294 | -5.294 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 450 | GLY | 0 | -0.022 | -0.013 | 57.354 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 451 | HIS | 0 | 0.017 | -0.001 | 54.468 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 452 | VAL | 0 | 0.017 | 0.020 | 51.601 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 453 | ARG | 1 | 0.853 | 0.901 | 53.940 | 5.172 | 5.172 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 454 | GLN | 0 | 0.031 | 0.020 | 56.479 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 455 | GLY | 0 | 0.043 | 0.046 | 52.264 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 456 | VAL | 0 | 0.005 | 0.001 | 51.366 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 457 | PHE | 0 | 0.027 | 0.011 | 53.155 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 458 | SER | 0 | 0.006 | -0.005 | 53.628 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 459 | SER | 0 | -0.058 | -0.047 | 50.133 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 460 | LEU | 0 | -0.038 | -0.018 | 51.766 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 461 | ASN | 0 | -0.003 | -0.003 | 54.083 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 462 | HIS | 0 | 0.026 | 0.017 | 48.904 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 463 | ILE | 0 | -0.037 | -0.030 | 49.154 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 464 | VAL | 0 | 0.006 | 0.016 | 51.857 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 465 | GLU | -1 | -0.835 | -0.914 | 54.397 | -5.764 | -5.764 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 466 | LYS | 1 | 0.793 | 0.879 | 50.689 | 6.065 | 6.065 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 467 | ARG | 1 | 0.881 | 0.935 | 51.178 | 5.418 | 5.418 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 468 | VAL | 0 | 0.013 | 0.027 | 47.281 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 469 | LEU | 0 | -0.005 | -0.011 | 49.862 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 470 | ALA | 0 | -0.039 | -0.021 | 52.406 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 471 | HIS | 0 | 0.034 | 0.017 | 55.747 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 472 | LEU | 0 | 0.050 | 0.039 | 54.098 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 473 | ALA | 0 | 0.092 | 0.061 | 57.383 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 474 | PRO | 0 | -0.047 | -0.031 | 57.665 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 475 | LEU | 0 | -0.054 | -0.019 | 52.143 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 476 | PHE | 0 | 0.044 | -0.012 | 54.531 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 477 | ASP | -1 | -0.749 | -0.846 | 58.424 | -4.905 | -4.905 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 478 | ASN | 0 | -0.034 | -0.013 | 57.303 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 479 | PRO | 0 | 0.004 | -0.020 | 59.746 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 480 | LYS | 1 | 0.824 | 0.921 | 53.882 | 5.830 | 5.830 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 481 | LEU | 0 | -0.037 | -0.004 | 54.588 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 482 | ASP | -1 | -0.831 | -0.924 | 58.381 | -5.030 | -5.030 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 483 | LYS | 1 | 0.969 | 0.974 | 60.533 | 4.759 | 4.759 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 484 | GLU | -1 | -0.892 | -0.937 | 59.988 | -5.210 | -5.210 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 485 | LEU | 0 | 0.006 | 0.008 | 55.241 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 486 | ARG | 1 | 0.838 | 0.912 | 59.431 | 5.057 | 5.057 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 487 | ALA | 0 | -0.031 | -0.010 | 61.525 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 488 | MET | 0 | 0.035 | 0.015 | 58.655 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 489 | LEU | 0 | -0.011 | -0.017 | 56.169 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 490 | ARG | 1 | 0.851 | 0.887 | 60.270 | 4.871 | 4.871 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 491 | GLU | -1 | -0.967 | -0.975 | 63.664 | -4.875 | -4.875 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 492 | LYS | 1 | 0.829 | 0.905 | 58.132 | 5.362 | 5.362 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 493 | PHE | 0 | -0.001 | -0.003 | 56.203 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 494 | PRO | 0 | 0.042 | 0.028 | 61.354 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 495 | GLU | -1 | -0.898 | -0.951 | 62.316 | -5.044 | -5.044 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 496 | PHE | 0 | -0.051 | -0.026 | 57.965 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 497 | CYS | 0 | -0.083 | -0.017 | 60.687 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |