FMODB ID: 76K6K
Calculation Name: 2GRV-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2GRV
Chain ID: A
UniProt ID: A0R2I8
Base Structure: X-ray
Registration Date: 2023-09-23
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 | 515 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9673351.462243 |
---|---|
FMO2-HF: Nuclear repulsion | 9483261.164338 |
FMO2-HF: Total energy | -190090.297904 |
FMO2-MP2: Total energy | -190652.74669 |
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:25:ALA)
Summations of interaction energy for
fragment #1(A:25:ALA)
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. |
-2.389 | -0.919 | -0.011 | -0.724 | -0.736 | 0.004 |
Interaction energy analysis for fragmet #1(A:25:ALA)
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 | 27 | THR | 0 | -0.029 | -0.031 | 3.842 | -0.278 | 1.192 | -0.011 | -0.724 | -0.736 | 0.004 |
4 | A | 28 | GLN | 0 | 0.026 | 0.010 | 6.346 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 29 | ILE | 0 | -0.025 | -0.005 | 7.967 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 30 | ILE | 0 | -0.027 | -0.011 | 10.067 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 31 | MET | 0 | 0.013 | 0.011 | 13.316 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 32 | ALA | 0 | -0.011 | -0.010 | 17.058 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 33 | ILE | 0 | 0.016 | 0.002 | 19.547 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 34 | ASP | -1 | -0.784 | -0.862 | 22.536 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 35 | SER | 0 | -0.025 | -0.024 | 24.295 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 36 | ILE | 0 | -0.013 | 0.000 | 21.832 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 37 | GLY | 0 | 0.020 | 0.027 | 24.395 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 38 | PRO | 0 | 0.017 | 0.011 | 28.112 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 39 | GLY | 0 | -0.014 | 0.004 | 29.193 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 40 | PHE | 0 | -0.015 | -0.010 | 24.525 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 41 | ASN | 0 | 0.045 | 0.024 | 28.338 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 42 | PRO | 0 | 0.006 | -0.002 | 29.752 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 43 | HIS | 1 | 0.805 | 0.896 | 32.388 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 44 | LEU | 0 | 0.026 | 0.039 | 34.696 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 45 | LEU | 0 | 0.001 | -0.005 | 36.057 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 46 | SER | 0 | -0.072 | -0.062 | 35.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 47 | ASP | -1 | -0.807 | -0.889 | 31.759 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 48 | GLN | 0 | -0.051 | -0.012 | 31.808 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 49 | SER | 0 | 0.038 | -0.001 | 28.648 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 50 | PRO | 0 | 0.024 | 0.021 | 27.439 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 51 | VAL | 0 | 0.015 | 0.014 | 23.084 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 52 | ASN | 0 | -0.006 | -0.021 | 24.957 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 53 | ALA | 0 | 0.017 | 0.013 | 27.190 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 54 | ALA | 0 | 0.003 | 0.000 | 22.922 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 55 | ILE | 0 | 0.011 | -0.011 | 20.419 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 56 | ALA | 0 | 0.027 | 0.015 | 23.269 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 57 | SER | 0 | -0.009 | 0.000 | 24.875 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 58 | LEU | 0 | -0.017 | 0.001 | 19.052 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 59 | VAL | 0 | -0.033 | -0.018 | 20.103 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 60 | LEU | 0 | -0.009 | 0.000 | 22.608 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 61 | PRO | 0 | -0.012 | 0.018 | 26.344 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 62 | SER | 0 | -0.001 | -0.004 | 28.539 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 63 | SER | 0 | 0.034 | 0.008 | 31.506 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 64 | PHE | 0 | -0.035 | -0.026 | 34.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 65 | ARG | 1 | 0.843 | 0.910 | 26.540 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 66 | PRO | 0 | -0.015 | 0.012 | 31.489 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 67 | VAL | 0 | 0.008 | 0.008 | 32.382 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 68 | PRO | 0 | -0.005 | -0.019 | 32.939 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 69 | ASP | -1 | -0.809 | -0.895 | 36.093 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 70 | PRO | 0 | -0.007 | -0.012 | 39.846 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 71 | THR | 0 | -0.047 | -0.028 | 42.341 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 72 | SER | 0 | -0.041 | -0.007 | 41.971 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 73 | PRO | 0 | 0.010 | -0.007 | 43.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 74 | THR | 0 | 0.026 | 0.014 | 40.026 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 75 | GLY | 0 | -0.013 | -0.008 | 39.910 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 76 | SER | 0 | -0.029 | -0.011 | 36.726 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 77 | ARG | 1 | 0.883 | 0.950 | 37.838 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 78 | TRP | 0 | -0.005 | -0.020 | 34.180 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 79 | GLU | -1 | -0.932 | -0.979 | 34.927 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 80 | LEU | 0 | -0.015 | -0.006 | 34.789 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 81 | ASP | -1 | -0.766 | -0.870 | 29.430 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 82 | THR | 0 | 0.013 | -0.003 | 31.527 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 83 | THR | 0 | 0.027 | 0.028 | 25.981 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 84 | LEU | 0 | -0.005 | 0.008 | 28.936 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 85 | LEU | 0 | -0.053 | -0.021 | 30.874 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 86 | GLU | -1 | -0.936 | -0.976 | 34.281 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 87 | SER | 0 | -0.115 | -0.096 | 36.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 88 | ALA | 0 | 0.048 | 0.018 | 39.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 89 | GLU | -1 | -0.863 | -0.903 | 41.032 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 90 | VAL | 0 | 0.022 | 0.010 | 44.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 91 | THR | 0 | -0.062 | -0.009 | 47.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 92 | GLN | 0 | -0.014 | -0.021 | 49.762 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 93 | GLU | -1 | -0.892 | -0.957 | 52.508 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 94 | ASN | 0 | -0.094 | -0.035 | 54.963 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 95 | PRO | 0 | 0.040 | 0.033 | 54.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 96 | PHE | 0 | 0.022 | 0.008 | 48.537 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 97 | THR | 0 | -0.026 | -0.032 | 48.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 98 | VAL | 0 | 0.021 | 0.013 | 43.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 99 | THR | 0 | -0.050 | -0.033 | 44.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 100 | TYR | 0 | 0.026 | 0.000 | 38.447 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 101 | LYS | 1 | 0.937 | 0.978 | 39.204 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 102 | ILE | 0 | -0.015 | -0.012 | 33.468 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 103 | ARG | 1 | 0.907 | 0.960 | 30.143 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 104 | PRO | 0 | -0.033 | -0.021 | 32.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 105 | GLU | -1 | -0.875 | -0.954 | 27.562 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 106 | ALA | 0 | -0.029 | 0.004 | 27.616 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 107 | GLN | 0 | -0.035 | -0.024 | 23.641 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 108 | TRP | 0 | 0.000 | -0.017 | 25.904 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 109 | THR | 0 | -0.027 | -0.005 | 20.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 110 | ASP | -1 | -0.814 | -0.912 | 22.620 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 111 | ASN | 0 | -0.073 | -0.046 | 24.001 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 112 | ALA | 0 | 0.010 | 0.039 | 26.617 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 113 | PRO | 0 | 0.013 | 0.002 | 29.142 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 114 | ILE | 0 | -0.015 | 0.008 | 27.589 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 115 | ALA | 0 | -0.007 | -0.010 | 31.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 116 | ALA | 0 | 0.022 | -0.007 | 35.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 117 | ASP | -1 | -0.912 | -0.957 | 37.430 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 118 | ASP | -1 | -0.759 | -0.885 | 33.549 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 119 | TYR | 0 | -0.027 | -0.025 | 35.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 120 | TRP | 0 | -0.017 | -0.018 | 38.449 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 121 | TYR | 0 | 0.020 | -0.003 | 35.209 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 122 | LEU | 0 | 0.022 | 0.017 | 35.453 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 123 | TRP | 0 | 0.053 | 0.028 | 38.451 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 124 | ARG | 1 | 0.900 | 0.957 | 42.101 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 125 | GLN | 0 | -0.030 | 0.005 | 38.192 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 126 | MET | 0 | -0.023 | -0.004 | 39.412 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 127 | VAL | 0 | 0.003 | 0.015 | 41.949 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 128 | SER | 0 | -0.084 | -0.064 | 44.123 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 129 | GLN | 0 | -0.069 | -0.027 | 40.273 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 130 | PRO | 0 | 0.044 | 0.019 | 43.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 131 | GLY | 0 | -0.005 | -0.007 | 42.188 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 132 | VAL | 0 | -0.014 | 0.000 | 39.703 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 133 | VAL | 0 | -0.044 | -0.035 | 37.098 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 134 | ASP | -1 | -0.803 | -0.883 | 40.426 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 135 | PRO | 0 | 0.045 | 0.031 | 43.421 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 136 | ALA | 0 | 0.026 | 0.016 | 44.531 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 137 | GLY | 0 | 0.048 | 0.015 | 45.627 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 138 | TYR | 0 | 0.037 | -0.007 | 38.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 139 | ASP | -1 | -0.844 | -0.920 | 45.224 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 140 | LEU | 0 | -0.079 | -0.019 | 48.574 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 141 | ILE | 0 | -0.058 | -0.015 | 44.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 142 | THR | 0 | -0.068 | -0.048 | 48.515 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 143 | GLY | 0 | -0.019 | -0.019 | 48.557 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 144 | VAL | 0 | -0.007 | 0.010 | 42.131 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 145 | GLN | 0 | -0.024 | -0.009 | 45.536 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 146 | SER | 0 | 0.027 | 0.009 | 41.549 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 147 | VAL | 0 | -0.024 | -0.026 | 43.153 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 148 | GLU | -1 | -0.889 | -0.949 | 41.878 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 149 | GLY | 0 | -0.013 | -0.005 | 40.342 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 150 | GLY | 0 | 0.004 | 0.014 | 38.690 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 151 | LYS | 1 | 0.819 | 0.911 | 31.821 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 152 | GLN | 0 | 0.019 | 0.020 | 38.085 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 153 | ALA | 0 | 0.010 | 0.008 | 40.074 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 154 | VAL | 0 | -0.020 | -0.007 | 42.017 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 155 | VAL | 0 | 0.023 | 0.013 | 42.883 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 156 | THR | 0 | 0.000 | 0.017 | 46.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 157 | PHE | 0 | -0.001 | 0.002 | 45.188 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 158 | SER | 0 | -0.003 | 0.003 | 51.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 159 | GLN | 0 | -0.013 | -0.008 | 53.119 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 160 | PRO | 0 | 0.022 | 0.008 | 52.507 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 161 | TYR | 0 | 0.027 | 0.002 | 44.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 162 | PRO | 0 | 0.035 | 0.009 | 47.845 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 163 | ALA | 0 | -0.001 | 0.011 | 44.409 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 164 | TRP | 0 | 0.016 | -0.006 | 41.702 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 165 | ARG | 1 | 0.894 | 0.959 | 39.840 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 166 | GLU | -1 | -0.804 | -0.890 | 38.615 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 167 | LEU | 0 | -0.066 | -0.021 | 38.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 168 | PHE | 0 | -0.046 | -0.029 | 37.029 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 169 | ASN | 0 | 0.060 | 0.051 | 33.465 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 170 | ASP | -1 | -0.886 | -0.956 | 30.193 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 171 | ILE | 0 | -0.027 | 0.003 | 31.265 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 172 | LEU | 0 | 0.005 | -0.007 | 29.924 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 173 | PRO | 0 | 0.025 | 0.023 | 28.014 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 174 | ALA | 0 | 0.032 | 0.007 | 31.078 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 175 | HIS | 0 | -0.106 | -0.075 | 29.631 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 176 | ILE | 0 | -0.020 | -0.004 | 28.172 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 177 | VAL | 0 | -0.003 | -0.016 | 31.036 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 178 | LYS | 1 | 0.833 | 0.917 | 32.998 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 179 | ASP | -1 | -0.847 | -0.919 | 34.350 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 180 | ILE | 0 | -0.056 | 0.003 | 28.492 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 181 | PRO | 0 | 0.021 | -0.009 | 31.698 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 182 | GLY | 0 | 0.015 | 0.011 | 33.241 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 183 | GLY | 0 | 0.002 | 0.008 | 35.139 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 184 | PHE | 0 | 0.046 | 0.005 | 34.342 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 185 | GLY | 0 | 0.017 | 0.013 | 35.226 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 186 | ALA | 0 | 0.017 | -0.011 | 34.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 187 | GLY | 0 | -0.021 | 0.003 | 32.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 188 | LEU | 0 | -0.005 | -0.007 | 28.033 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 189 | ALA | 0 | 0.016 | 0.023 | 28.549 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 190 | ARG | 1 | 0.851 | 0.888 | 26.258 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 191 | ALA | 0 | -0.007 | 0.005 | 24.404 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 192 | MET | 0 | 0.047 | 0.018 | 22.805 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 193 | PRO | 0 | -0.015 | 0.006 | 22.609 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 194 | VAL | 0 | 0.002 | 0.003 | 22.724 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 195 | THR | 0 | -0.008 | -0.005 | 21.690 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 196 | GLY | 0 | 0.051 | 0.002 | 24.154 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 197 | GLY | 0 | 0.023 | 0.028 | 22.626 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 198 | GLN | 0 | -0.006 | -0.007 | 18.616 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 199 | PHE | 0 | -0.004 | -0.003 | 14.409 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 200 | ARG | 1 | 0.831 | 0.903 | 12.692 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 201 | VAL | 0 | 0.005 | -0.018 | 16.859 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 202 | GLU | -1 | -0.878 | -0.895 | 12.605 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 203 | THR | 0 | -0.050 | -0.042 | 15.222 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 204 | ILE | 0 | 0.036 | 0.024 | 17.488 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 205 | ASP | -1 | -0.853 | -0.929 | 19.041 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 206 | PRO | 0 | 0.031 | -0.005 | 20.990 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 207 | GLN | 0 | -0.041 | -0.007 | 22.650 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 208 | ARG | 1 | 0.773 | 0.848 | 15.471 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 209 | ASP | -1 | -0.805 | -0.885 | 20.419 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 210 | GLU | -1 | -0.866 | -0.914 | 15.734 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 211 | ILE | 0 | 0.003 | 0.000 | 17.794 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 212 | LEU | 0 | -0.023 | 0.007 | 10.790 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 213 | LEU | 0 | 0.016 | 0.013 | 14.560 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 214 | ALA | 0 | 0.028 | 0.012 | 12.009 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 215 | ARG | 1 | 0.869 | 0.927 | 9.573 | 1.311 | 1.311 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 216 | ASN | 0 | -0.016 | -0.018 | 14.131 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 217 | ASP | -1 | -0.917 | -0.972 | 13.300 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 218 | ARG | 1 | 0.828 | 0.922 | 16.346 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 219 | PHE | 0 | -0.011 | 0.006 | 19.319 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 220 | TRP | 0 | -0.006 | -0.010 | 21.127 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 221 | SER | 0 | -0.008 | 0.004 | 22.643 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 222 | VAL | 0 | -0.016 | -0.014 | 20.462 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 223 | PRO | 0 | 0.026 | 0.010 | 16.205 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 224 | ALA | 0 | 0.002 | 0.016 | 15.587 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 225 | LYS | 1 | 0.830 | 0.896 | 14.194 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 226 | PRO | 0 | -0.016 | 0.011 | 11.070 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 227 | ASP | -1 | -0.809 | -0.867 | 6.966 | -2.709 | -2.709 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 228 | LEU | 0 | -0.016 | -0.015 | 6.944 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 229 | VAL | 0 | 0.017 | 0.002 | 10.427 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 230 | LEU | 0 | -0.033 | -0.002 | 11.494 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 231 | PHE | 0 | 0.024 | 0.008 | 13.594 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 232 | ARG | 1 | 0.944 | 0.962 | 13.311 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 233 | ARG | 1 | 0.861 | 0.921 | 18.161 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 234 | GLY | 0 | -0.006 | 0.001 | 20.197 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 235 | GLY | 0 | -0.025 | -0.006 | 21.878 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 236 | ALA | 0 | 0.018 | 0.003 | 24.309 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 237 | PRO | 0 | 0.072 | 0.023 | 25.607 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 238 | ALA | 0 | 0.010 | 0.002 | 26.110 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 239 | ALA | 0 | -0.013 | 0.001 | 22.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 240 | LEU | 0 | 0.046 | 0.028 | 20.565 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 241 | ALA | 0 | -0.009 | -0.017 | 21.430 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 242 | ASP | -1 | -0.835 | -0.910 | 21.650 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 243 | SER | 0 | 0.026 | 0.036 | 16.635 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 244 | ILE | 0 | -0.006 | -0.015 | 17.216 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 245 | ARG | 1 | 0.831 | 0.911 | 18.935 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 246 | ASN | 0 | -0.053 | -0.027 | 16.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 247 | GLY | 0 | -0.005 | 0.017 | 15.167 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 248 | ASP | -1 | -0.934 | -0.968 | 12.469 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 249 | THR | 0 | -0.070 | -0.049 | 12.923 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 250 | GLN | 0 | -0.052 | -0.015 | 11.851 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 251 | VAL | 0 | 0.041 | 0.020 | 15.930 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 252 | ALA | 0 | -0.014 | -0.003 | 18.777 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 253 | GLN | 0 | -0.010 | -0.009 | 21.544 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 254 | VAL | 0 | -0.011 | 0.003 | 23.820 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 255 | HIS | 1 | 0.789 | 0.840 | 26.540 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 256 | GLY | 0 | 0.056 | 0.027 | 29.674 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 257 | GLY | 0 | 0.082 | 0.072 | 31.777 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 258 | ALA | 0 | 0.003 | -0.019 | 33.712 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 259 | ALA | 0 | 0.020 | 0.011 | 34.917 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 260 | THR | 0 | 0.033 | 0.008 | 28.902 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 261 | PHE | 0 | 0.000 | 0.006 | 29.884 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 262 | ALA | 0 | 0.012 | 0.006 | 30.763 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 263 | GLN | 0 | -0.043 | -0.023 | 28.205 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 264 | LEU | 0 | 0.000 | -0.013 | 24.453 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 265 | SER | 0 | -0.007 | -0.006 | 26.737 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 266 | ALA | 0 | -0.038 | -0.003 | 29.260 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 267 | ILE | 0 | -0.081 | -0.023 | 22.916 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 268 | PRO | 0 | 0.008 | -0.012 | 25.094 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 269 | ASP | -1 | -0.916 | -0.956 | 23.491 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 270 | VAL | 0 | -0.044 | -0.004 | 22.131 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 271 | ARG | 1 | 0.831 | 0.922 | 21.783 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 272 | THR | 0 | 0.020 | -0.007 | 25.284 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 273 | ALA | 0 | 0.015 | 0.006 | 27.859 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 274 | ARG | 1 | 0.853 | 0.915 | 29.756 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 275 | ILE | 0 | -0.004 | 0.007 | 28.431 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 276 | VAL | 0 | 0.013 | 0.006 | 32.419 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 277 | THR | 0 | -0.003 | -0.008 | 31.311 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 278 | PRO | 0 | 0.010 | 0.022 | 31.711 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 279 | ARG | 1 | 0.798 | 0.875 | 33.228 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 280 | VAL | 0 | 0.018 | 0.003 | 36.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 281 | MET | 0 | -0.023 | 0.016 | 39.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 282 | GLN | 0 | 0.022 | 0.005 | 41.391 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 283 | LEU | 0 | 0.027 | 0.023 | 44.895 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 284 | THR | 0 | -0.049 | -0.028 | 47.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 285 | LEU | 0 | 0.004 | -0.005 | 49.929 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 286 | ARG | 1 | 0.857 | 0.926 | 51.244 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 287 | ALA | 0 | 0.038 | 0.005 | 54.686 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 288 | GLN | 0 | 0.019 | 0.016 | 54.500 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 289 | GLN | 0 | -0.028 | -0.010 | 56.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 290 | PRO | 0 | 0.039 | 0.006 | 59.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 291 | LYS | 1 | 0.798 | 0.879 | 57.565 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 292 | LEU | 0 | -0.034 | -0.014 | 56.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 293 | ALA | 0 | 0.034 | 0.033 | 60.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 294 | ASP | -1 | -0.835 | -0.914 | 63.143 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 295 | PRO | 0 | -0.007 | -0.023 | 62.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 296 | GLN | 0 | 0.043 | 0.015 | 62.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 297 | VAL | 0 | 0.013 | 0.020 | 61.342 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 298 | ARG | 1 | 0.798 | 0.889 | 58.168 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 299 | LYS | 1 | 0.874 | 0.936 | 58.402 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 300 | ALA | 0 | 0.029 | 0.030 | 59.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 301 | ILE | 0 | -0.019 | -0.019 | 55.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 302 | LEU | 0 | -0.023 | -0.025 | 53.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 303 | GLY | 0 | 0.009 | 0.012 | 55.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 304 | LEU | 0 | -0.075 | -0.035 | 57.588 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 305 | ILE | 0 | -0.072 | -0.028 | 51.059 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 306 | ASP | -1 | -0.876 | -0.927 | 51.309 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 307 | VAL | 0 | 0.037 | -0.008 | 48.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 308 | ASP | -1 | -0.891 | -0.945 | 47.484 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 309 | LEU | 0 | -0.038 | -0.011 | 46.630 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 310 | LEU | 0 | -0.028 | -0.014 | 45.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 311 | ALA | 0 | 0.023 | 0.010 | 43.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 312 | SER | 0 | -0.052 | -0.025 | 41.699 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 313 | VAL | 0 | -0.002 | 0.010 | 41.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 314 | GLY | 0 | -0.022 | -0.017 | 39.666 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 315 | ALA | 0 | -0.116 | -0.060 | 37.362 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 316 | GLY | 0 | 0.024 | 0.004 | 36.413 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 317 | ASP | -1 | -0.921 | -0.957 | 37.494 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 318 | ASP | -1 | -1.002 | -0.997 | 32.507 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 319 | ASN | 0 | -0.004 | -0.041 | 33.766 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 320 | THR | 0 | -0.055 | -0.011 | 35.512 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 321 | VAL | 0 | 0.003 | 0.000 | 37.907 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 322 | THR | 0 | -0.019 | 0.002 | 39.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 323 | LEU | 0 | 0.053 | 0.021 | 41.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 324 | ALA | 0 | -0.026 | -0.007 | 43.585 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 325 | GLN | 0 | 0.016 | -0.007 | 45.410 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 326 | ALA | 0 | 0.007 | 0.012 | 48.233 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 327 | GLN | 0 | -0.054 | -0.020 | 48.466 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 328 | VAL | 0 | -0.037 | -0.018 | 47.906 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 329 | ARG | 1 | 0.900 | 0.965 | 45.848 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 330 | SER | 0 | -0.014 | -0.014 | 41.345 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 331 | PRO | 0 | -0.022 | -0.031 | 41.535 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 332 | SER | 0 | -0.028 | 0.002 | 38.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 333 | ASP | -1 | -0.842 | -0.912 | 40.454 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 334 | PRO | 0 | 0.010 | 0.002 | 41.948 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 335 | GLY | 0 | -0.003 | 0.003 | 44.445 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 336 | TYR | 0 | -0.030 | -0.002 | 45.481 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 337 | VAL | 0 | -0.006 | -0.007 | 47.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 338 | PRO | 0 | -0.033 | -0.010 | 49.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 339 | THR | 0 | -0.023 | -0.046 | 51.347 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 340 | ALA | 0 | -0.023 | -0.003 | 52.564 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 341 | PRO | 0 | -0.017 | -0.010 | 54.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 342 | PRO | 0 | -0.027 | -0.016 | 57.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 343 | ALA | 0 | 0.015 | 0.016 | 56.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 344 | MET | 0 | -0.019 | 0.012 | 58.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 345 | THR | 0 | 0.024 | 0.016 | 59.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 346 | ARG | 1 | 1.000 | 0.991 | 59.476 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 347 | ASP | -1 | -0.913 | -0.974 | 61.824 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 348 | ASP | -1 | -0.866 | -0.934 | 64.286 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 349 | ALA | 0 | -0.006 | -0.001 | 61.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 350 | LEU | 0 | -0.041 | -0.036 | 63.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 351 | GLU | -1 | -0.854 | -0.913 | 65.379 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 352 | LEU | 0 | 0.002 | -0.001 | 63.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 353 | LEU | 0 | -0.034 | -0.018 | 62.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 354 | ARG | 1 | 0.869 | 0.922 | 66.618 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 355 | ASP | -1 | -0.908 | -0.938 | 70.125 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 356 | ALA | 0 | -0.072 | -0.018 | 67.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 357 | GLY | 0 | -0.044 | -0.022 | 69.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 358 | TYR | 0 | -0.076 | -0.038 | 64.633 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 359 | VAL | 0 | 0.009 | 0.000 | 69.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 360 | SER | 0 | -0.064 | -0.055 | 67.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 361 | GLU | -1 | -0.817 | -0.883 | 68.795 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 362 | PRO | 0 | 0.055 | 0.007 | 68.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 363 | VAL | 0 | -0.027 | -0.012 | 64.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 364 | PRO | 0 | -0.012 | -0.007 | 67.354 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 365 | PRO | 0 | -0.007 | -0.003 | 67.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 366 | PRO | 0 | -0.012 | 0.007 | 65.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 379 | ARG | 1 | 0.909 | 0.949 | 58.354 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 380 | GLU | -1 | -0.825 | -0.900 | 64.777 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 381 | ARG | 1 | 0.765 | 0.865 | 64.130 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 382 | ILE | 0 | 0.043 | 0.033 | 62.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 383 | VAL | 0 | -0.044 | -0.015 | 65.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 384 | LYS | 1 | 0.909 | 0.943 | 67.618 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 385 | ASP | -1 | -0.944 | -0.971 | 69.498 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 386 | GLY | 0 | 0.024 | 0.016 | 71.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 387 | VAL | 0 | -0.045 | -0.024 | 65.559 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 388 | PRO | 0 | -0.037 | -0.019 | 63.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 389 | LEU | 0 | 0.000 | 0.018 | 60.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 390 | THR | 0 | 0.017 | 0.007 | 57.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 391 | ILE | 0 | -0.018 | -0.009 | 53.598 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 392 | VAL | 0 | 0.012 | 0.007 | 50.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 393 | LEU | 0 | 0.011 | 0.005 | 48.225 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 394 | GLY | 0 | 0.013 | 0.002 | 46.958 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 395 | VAL | 0 | 0.004 | 0.003 | 41.018 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 396 | ALA | 0 | 0.038 | 0.024 | 38.247 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 397 | SER | 0 | 0.006 | -0.013 | 38.780 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 398 | ASN | 0 | -0.043 | -0.044 | 32.965 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 399 | ASP | -1 | -0.804 | -0.865 | 33.730 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 400 | PRO | 0 | 0.028 | -0.002 | 33.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 401 | THR | 0 | 0.035 | 0.031 | 35.001 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 402 | SER | 0 | 0.002 | -0.033 | 37.121 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 403 | VAL | 0 | -0.022 | -0.014 | 39.211 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 404 | ALA | 0 | -0.015 | 0.007 | 39.632 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 405 | VAL | 0 | 0.048 | 0.028 | 41.160 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 406 | ALA | 0 | -0.001 | -0.005 | 43.436 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 407 | ASN | 0 | -0.057 | -0.052 | 43.654 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 408 | THR | 0 | 0.060 | 0.045 | 45.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 409 | ALA | 0 | 0.009 | 0.004 | 47.479 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 410 | ALA | 0 | -0.021 | -0.017 | 49.341 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 411 | ASP | -1 | -0.868 | -0.942 | 48.632 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 412 | GLN | 0 | 0.013 | 0.011 | 51.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 413 | LEU | 0 | -0.005 | 0.001 | 53.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 414 | ARG | 1 | 0.792 | 0.875 | 53.696 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 415 | ASN | 0 | -0.123 | -0.069 | 54.462 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 416 | VAL | 0 | -0.038 | -0.012 | 57.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 417 | GLY | 0 | -0.008 | 0.009 | 60.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 418 | ILE | 0 | -0.009 | -0.005 | 57.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 419 | ASP | -1 | -0.829 | -0.901 | 57.834 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 420 | ALA | 0 | -0.014 | -0.004 | 53.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 421 | SER | 0 | -0.026 | -0.010 | 51.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 422 | VAL | 0 | 0.040 | 0.023 | 45.028 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 423 | LEU | 0 | -0.032 | -0.010 | 47.242 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 424 | ALA | 0 | 0.000 | -0.009 | 41.592 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 425 | LEU | 0 | -0.035 | -0.020 | 42.730 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 426 | ASP | -1 | -0.861 | -0.926 | 38.444 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 427 | PRO | 0 | 0.015 | -0.011 | 36.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 428 | VAL | 0 | 0.034 | 0.016 | 38.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 429 | ALA | 0 | 0.028 | 0.017 | 40.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 430 | LEU | 0 | -0.023 | 0.008 | 42.147 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 431 | TYR | 0 | 0.035 | -0.009 | 40.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 432 | GLY | 0 | 0.022 | 0.013 | 44.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 433 | ASP | -1 | -0.878 | -0.923 | 46.146 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 434 | ALA | 0 | -0.021 | -0.027 | 47.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 435 | LEU | 0 | -0.006 | 0.008 | 47.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 436 | VAL | 0 | -0.005 | 0.007 | 49.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 437 | ASN | 0 | -0.072 | -0.041 | 51.544 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 438 | ASN | 0 | -0.057 | -0.020 | 53.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 439 | ARG | 1 | 0.887 | 0.932 | 50.890 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 440 | VAL | 0 | -0.018 | 0.002 | 48.673 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 441 | ASP | -1 | -0.800 | -0.877 | 52.072 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 442 | ALA | 0 | 0.001 | -0.003 | 50.681 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 443 | VAL | 0 | 0.002 | 0.013 | 44.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 444 | VAL | 0 | 0.013 | 0.012 | 42.499 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 445 | GLY | 0 | 0.015 | -0.001 | 40.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 446 | TRP | 0 | -0.034 | -0.027 | 36.428 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 447 | ARG | 1 | 0.919 | 0.963 | 39.406 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 448 | GLN | 0 | 0.042 | 0.024 | 35.533 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 449 | ALA | 0 | -0.029 | -0.010 | 37.518 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 450 | GLY | 0 | 0.029 | 0.003 | 37.294 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 451 | GLY | 0 | 0.004 | 0.014 | 38.907 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 452 | ASP | -1 | -0.783 | -0.889 | 40.583 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 453 | LEU | 0 | -0.016 | -0.006 | 43.903 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 454 | ALA | 0 | 0.016 | 0.008 | 46.650 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 455 | THR | 0 | 0.008 | -0.023 | 44.417 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 456 | VAL | 0 | -0.020 | 0.019 | 43.954 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 457 | LEU | 0 | -0.029 | -0.015 | 46.509 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 458 | ALA | 0 | 0.013 | -0.009 | 50.135 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 459 | SER | 0 | -0.016 | -0.016 | 46.774 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 460 | ARG | 1 | 0.791 | 0.871 | 42.255 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 461 | TYR | 0 | -0.032 | -0.039 | 49.450 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 462 | GLY | 0 | 0.002 | 0.020 | 52.769 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 463 | CYS | 0 | -0.044 | -0.045 | 54.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 464 | ARG | 1 | 0.905 | 0.941 | 54.735 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 465 | ALA | 0 | 0.023 | 0.039 | 51.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 466 | LEU | 0 | -0.065 | -0.029 | 52.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 467 | GLU | -1 | -0.982 | -0.992 | 55.038 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 468 | ALA | 0 | 0.004 | 0.014 | 53.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 516 | GLN | 0 | -0.052 | -0.037 | 49.522 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 517 | ALA | 0 | -0.047 | -0.020 | 46.923 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 518 | PRO | 0 | -0.013 | 0.017 | 48.664 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 519 | SER | 0 | 0.004 | -0.023 | 46.854 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 520 | ASN | 0 | -0.042 | -0.017 | 48.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 521 | ILE | 0 | -0.021 | -0.027 | 46.615 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 522 | THR | 0 | 0.016 | 0.002 | 50.690 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 523 | GLY | 0 | -0.021 | -0.011 | 53.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 524 | ILE | 0 | -0.044 | -0.020 | 56.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 526 | ASP | -1 | -0.719 | -0.825 | 58.518 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 527 | ARG | 1 | 0.987 | 0.963 | 60.666 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 528 | SER | 0 | -0.112 | -0.076 | 63.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 529 | ILE | 0 | 0.055 | 0.026 | 57.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 530 | GLN | 0 | 0.000 | -0.004 | 56.262 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 531 | PRO | 0 | 0.002 | -0.009 | 58.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 532 | ARG | 1 | 0.848 | 0.920 | 58.607 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 533 | ILE | 0 | 0.005 | 0.008 | 53.683 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 534 | ASP | -1 | -0.826 | -0.905 | 54.716 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 535 | ALA | 0 | 0.017 | 0.018 | 55.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 536 | ALA | 0 | -0.004 | 0.004 | 52.843 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 537 | LEU | 0 | -0.061 | -0.027 | 49.267 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 538 | ASP | -1 | -0.871 | -0.928 | 51.416 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 539 | GLY | 0 | -0.029 | -0.010 | 53.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 540 | THR | 0 | -0.113 | -0.073 | 53.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 541 | ASP | -1 | -0.853 | -0.925 | 56.258 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 542 | ASP | -1 | -0.820 | -0.915 | 53.221 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 543 | ILE | 0 | 0.029 | 0.012 | 49.286 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 544 | ALA | 0 | -0.053 | -0.032 | 51.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 545 | ASP | -1 | -0.851 | -0.930 | 53.176 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 546 | VAL | 0 | -0.070 | -0.032 | 54.848 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 547 | ILE | 0 | -0.011 | -0.013 | 49.862 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 548 | GLN | 0 | -0.043 | -0.012 | 54.237 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 549 | ALA | 0 | -0.055 | -0.025 | 56.810 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 550 | VAL | 0 | -0.012 | -0.011 | 55.303 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 551 | GLU | -1 | -0.699 | -0.827 | 51.823 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 552 | PRO | 0 | 0.009 | -0.001 | 56.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 553 | ARG | 1 | 0.828 | 0.894 | 59.193 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 554 | LEU | 0 | -0.012 | 0.007 | 52.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 555 | TRP | 0 | 0.023 | 0.009 | 51.139 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 556 | ASN | 0 | -0.066 | -0.024 | 56.617 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 557 | MET | 0 | -0.015 | -0.001 | 56.404 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 558 | ALA | 0 | -0.022 | 0.004 | 56.846 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 559 | THR | 0 | 0.035 | 0.002 | 54.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 560 | VAL | 0 | 0.011 | 0.018 | 48.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 561 | LEU | 0 | 0.042 | 0.026 | 49.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 562 | PRO | 0 | -0.061 | -0.024 | 46.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 563 | ILE | 0 | 0.027 | 0.017 | 43.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 564 | LEU | 0 | -0.006 | -0.009 | 38.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 565 | GLN | 0 | 0.020 | -0.008 | 37.423 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 566 | ASP | -1 | -0.754 | -0.838 | 33.192 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 567 | THR | 0 | -0.013 | -0.001 | 33.825 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 568 | THR | 0 | 0.016 | 0.017 | 28.531 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 569 | ILE | 0 | -0.053 | -0.018 | 27.370 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 570 | VAL | 0 | -0.008 | -0.009 | 25.558 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 571 | ALA | 0 | -0.003 | -0.018 | 23.176 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 572 | ALA | 0 | 0.019 | 0.006 | 20.556 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 573 | GLY | 0 | 0.029 | 0.019 | 19.062 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 574 | PRO | 0 | 0.031 | 0.005 | 19.305 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 575 | SER | 0 | -0.039 | -0.006 | 14.110 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 576 | VAL | 0 | -0.006 | -0.014 | 14.421 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 577 | GLN | 0 | 0.001 | 0.012 | 15.852 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 578 | ASN | 0 | -0.044 | -0.055 | 17.984 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 579 | VAL | 0 | 0.049 | 0.052 | 18.567 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 580 | SER | 0 | -0.045 | -0.021 | 21.356 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 581 | LEU | 0 | -0.029 | -0.014 | 23.383 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 582 | THR | 0 | -0.041 | -0.044 | 26.314 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 583 | GLY | 0 | 0.066 | 0.036 | 27.952 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 584 | ALA | 0 | -0.017 | 0.006 | 30.028 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 585 | VAL | 0 | 0.051 | 0.012 | 31.549 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 586 | PRO | 0 | -0.004 | -0.014 | 32.605 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 587 | VAL | 0 | -0.021 | 0.001 | 27.036 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 588 | GLY | 0 | 0.014 | 0.017 | 27.581 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 589 | ILE | 0 | -0.012 | -0.025 | 22.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 590 | VAL | 0 | 0.014 | 0.007 | 21.310 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 591 | GLY | 0 | 0.025 | 0.016 | 22.415 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 592 | ASP | -1 | -0.759 | -0.855 | 22.372 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 593 | ALA | 0 | 0.048 | 0.009 | 18.158 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 594 | GLY | 0 | 0.009 | 0.015 | 17.233 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 595 | ASP | -1 | -0.887 | -0.950 | 17.572 | -0.490 | -0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 596 | TRP | 0 | -0.083 | -0.019 | 15.734 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 597 | THR | 0 | 0.029 | 0.007 | 13.171 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 598 | LYS | 1 | 0.874 | 0.940 | 8.217 | 0.932 | 0.932 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 599 | THR | 0 | -0.071 | -0.032 | 10.272 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |