FMODB ID: 5J1YZ
Calculation Name: 1B3U-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1B3U
Chain ID: A
UniProt ID: P30153
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
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 | 588 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10672534.64314 |
---|---|
FMO2-HF: Nuclear repulsion | 10441979.616443 |
FMO2-HF: Total energy | -230555.026698 |
FMO2-MP2: Total energy | -231221.02819 |
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:1:ALA)
Summations of interaction energy for
fragment #1(A:1: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. |
-11.272 | -6.801 | 0.285 | -2.074 | -2.681 | -0.008 |
Interaction energy analysis for fragmet #1(A:1: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 | 3 | ALA | 0 | -0.089 | -0.038 | 3.618 | -2.669 | -1.041 | 0.002 | -0.732 | -0.898 | 0.003 |
4 | A | 4 | ASP | -1 | -0.820 | -0.915 | 2.911 | -6.694 | -4.601 | 0.256 | -1.095 | -1.255 | -0.010 |
5 | A | 5 | GLY | 0 | -0.009 | -0.001 | 5.751 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | ASP | -1 | -0.964 | -0.980 | 8.989 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | ASP | -1 | -0.881 | -0.925 | 7.224 | -0.747 | -0.747 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | SER | 0 | -0.118 | -0.051 | 7.065 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | LEU | 0 | 0.026 | -0.033 | 7.355 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | TYR | 0 | 0.035 | 0.022 | 9.929 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | PRO | 0 | 0.012 | 0.002 | 9.761 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ILE | 0 | 0.053 | 0.036 | 11.133 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ALA | 0 | 0.018 | 0.015 | 13.707 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | VAL | 0 | -0.007 | 0.002 | 15.484 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | LEU | 0 | 0.012 | 0.006 | 16.184 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ILE | 0 | -0.051 | -0.048 | 16.803 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | ASP | -1 | -0.991 | -1.018 | 19.554 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLU | -1 | -0.895 | -0.937 | 20.056 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | LEU | 0 | -0.016 | -0.019 | 20.650 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ARG | 1 | 0.872 | 0.962 | 21.824 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ASN | 0 | -0.031 | 0.000 | 25.915 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | GLU | -1 | -0.854 | -0.945 | 28.467 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | ASP | -1 | -0.957 | -0.998 | 31.715 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | VAL | 0 | 0.068 | 0.021 | 30.777 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | GLN | 0 | -0.047 | -0.029 | 30.322 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | LEU | 0 | 0.025 | 0.032 | 27.865 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | ARG | 1 | 0.786 | 0.887 | 26.180 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | LEU | 0 | 0.028 | 0.020 | 25.611 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ASN | 0 | -0.058 | -0.059 | 26.258 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | SER | 0 | -0.016 | 0.012 | 21.447 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ILE | 0 | 0.067 | 0.031 | 21.650 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | LYS | 1 | 0.924 | 0.977 | 21.975 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LYS | 1 | 0.872 | 0.942 | 20.431 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LEU | 0 | 0.053 | 0.048 | 17.223 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | SER | 0 | 0.033 | 0.000 | 16.271 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | THR | 0 | -0.045 | -0.033 | 14.978 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ILE | 0 | 0.031 | 0.023 | 12.962 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ALA | 0 | 0.020 | -0.008 | 11.729 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | LEU | 0 | -0.091 | -0.044 | 10.450 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ALA | 0 | -0.047 | -0.015 | 9.895 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | LEU | 0 | -0.043 | 0.000 | 7.291 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | GLY | 0 | 0.059 | 0.036 | 4.777 | 0.037 | 0.054 | -0.001 | -0.005 | -0.010 | 0.000 |
43 | A | 43 | VAL | 0 | 0.058 | 0.018 | 5.863 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | GLU | -1 | -1.002 | -1.011 | 3.785 | -1.910 | -1.499 | 0.012 | -0.177 | -0.245 | -0.001 |
45 | A | 45 | ARG | 1 | 0.937 | 0.973 | 3.437 | 1.916 | 2.238 | 0.016 | -0.065 | -0.273 | 0.000 |
46 | A | 46 | THR | 0 | 0.002 | -0.003 | 6.301 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | ARG | 1 | 0.908 | 0.952 | 8.036 | 0.610 | 0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | SER | 0 | -0.019 | -0.024 | 7.957 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLU | -1 | -0.910 | -0.948 | 8.387 | -0.723 | -0.723 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | LEU | 0 | -0.022 | -0.003 | 10.904 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | LEU | 0 | -0.021 | -0.009 | 12.903 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | PRO | 0 | 0.007 | 0.004 | 13.607 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | PHE | 0 | 0.045 | 0.028 | 15.519 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | LEU | 0 | -0.032 | -0.047 | 16.882 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | THR | 0 | -0.062 | -0.033 | 18.826 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ASP | -1 | -0.928 | -0.963 | 20.606 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | THR | 0 | -0.056 | -0.016 | 20.445 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ILE | 0 | -0.086 | -0.023 | 20.676 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | TYR | 0 | -0.017 | -0.021 | 23.871 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | ASP | -1 | -0.849 | -0.887 | 26.912 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | GLU | -1 | -0.864 | -0.936 | 28.864 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ASP | -1 | -0.842 | -0.942 | 30.500 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLU | -1 | -0.991 | -1.006 | 31.692 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | VAL | 0 | -0.028 | 0.003 | 26.088 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | LEU | 0 | 0.029 | 0.015 | 26.893 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | LEU | 0 | 0.005 | 0.015 | 27.362 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ALA | 0 | 0.016 | 0.005 | 26.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | LEU | 0 | -0.002 | -0.001 | 20.976 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | ALA | 0 | 0.002 | -0.019 | 23.629 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | GLU | -1 | -0.983 | -0.985 | 25.440 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | GLN | 0 | 0.003 | 0.008 | 20.572 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | LEU | 0 | 0.001 | -0.007 | 19.246 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | GLY | 0 | 0.013 | 0.016 | 21.224 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | THR | 0 | -0.143 | -0.072 | 21.650 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | PHE | 0 | 0.048 | 0.000 | 15.370 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | THR | 0 | 0.021 | 0.021 | 16.114 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | THR | 0 | -0.003 | -0.009 | 15.613 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | LEU | 0 | -0.029 | 0.000 | 13.186 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | VAL | 0 | 0.028 | 0.026 | 11.655 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | GLY | 0 | -0.044 | -0.030 | 11.427 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | GLY | 0 | -0.003 | 0.007 | 12.089 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | PRO | 0 | 0.018 | -0.017 | 15.786 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLU | -1 | -0.967 | -0.970 | 14.979 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | TYR | 0 | -0.020 | -0.027 | 11.592 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | VAL | 0 | 0.036 | 0.032 | 15.537 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | HIS | 0 | 0.047 | 0.022 | 17.221 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | CYS | 0 | -0.052 | -0.028 | 14.982 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | LEU | 0 | 0.016 | -0.002 | 17.152 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LEU | 0 | -0.061 | -0.018 | 19.231 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | PRO | 0 | 0.012 | 0.012 | 19.830 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | PRO | 0 | 0.045 | 0.034 | 19.158 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | LEU | 0 | 0.006 | -0.007 | 22.068 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | GLU | -1 | -0.862 | -0.909 | 24.664 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | SER | 0 | -0.022 | -0.010 | 25.036 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | LEU | 0 | 0.043 | 0.020 | 24.500 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ALA | 0 | -0.041 | -0.011 | 28.079 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | THR | 0 | -0.050 | -0.032 | 30.385 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | VAL | 0 | 0.029 | 0.030 | 30.137 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | GLU | -1 | -0.910 | -0.969 | 32.824 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | GLU | -1 | -0.797 | -0.892 | 34.808 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | THR | 0 | -0.049 | -0.052 | 35.243 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | VAL | 0 | 0.031 | 0.019 | 35.059 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | VAL | 0 | -0.005 | -0.004 | 30.171 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ARG | 1 | 0.760 | 0.907 | 31.545 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ASP | -1 | -0.897 | -0.956 | 32.516 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | LYS | 1 | 0.898 | 0.949 | 29.563 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ALA | 0 | 0.042 | 0.034 | 27.904 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | VAL | 0 | -0.006 | 0.000 | 28.433 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | GLU | -1 | -0.920 | -0.958 | 30.717 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | SER | 0 | -0.006 | -0.025 | 25.308 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | LEU | 0 | -0.031 | -0.016 | 25.362 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ARG | 1 | 0.827 | 0.911 | 27.373 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | ALA | 0 | -0.019 | 0.022 | 26.575 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | ILE | 0 | 0.070 | 0.023 | 22.059 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | SER | 0 | -0.040 | -0.009 | 24.332 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | HIS | 0 | -0.068 | -0.046 | 26.744 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | GLU | -1 | -0.912 | -0.960 | 21.768 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | HIS | 0 | -0.064 | -0.019 | 22.584 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | SER | 0 | 0.038 | 0.018 | 23.389 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | PRO | 0 | 0.047 | -0.015 | 25.311 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | SER | 0 | 0.012 | 0.006 | 25.388 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | ASP | -1 | -0.863 | -0.931 | 21.258 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | LEU | 0 | -0.086 | -0.031 | 24.558 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | GLU | -1 | -0.878 | -0.956 | 27.566 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ALA | 0 | -0.036 | -0.010 | 24.714 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | HIS | 0 | 0.005 | -0.005 | 20.853 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | PHE | 0 | 0.021 | 0.010 | 25.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | VAL | 0 | -0.001 | -0.008 | 27.264 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | PRO | 0 | -0.037 | -0.017 | 27.549 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | LEU | 0 | 0.036 | 0.033 | 26.129 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | VAL | 0 | 0.019 | 0.005 | 28.847 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | LYS | 1 | 0.820 | 0.911 | 32.166 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ARG | 1 | 0.812 | 0.887 | 25.729 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | LEU | 0 | 0.013 | 0.011 | 30.409 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | ALA | 0 | -0.020 | -0.026 | 33.636 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | GLY | 0 | -0.044 | -0.020 | 36.054 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | GLY | 0 | 0.015 | 0.025 | 35.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | ASP | -1 | -0.896 | -0.947 | 36.490 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | TRP | 0 | -0.012 | -0.009 | 36.714 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | PHE | 0 | 0.019 | -0.011 | 37.929 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | THR | 0 | 0.005 | 0.009 | 35.911 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | SER | 0 | 0.061 | 0.032 | 33.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | ARG | 1 | 0.820 | 0.900 | 35.566 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | THR | 0 | -0.048 | -0.038 | 37.916 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | SER | 0 | -0.034 | -0.016 | 33.613 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | 0.044 | 0.031 | 34.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | CYS | 0 | -0.046 | -0.008 | 35.506 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | GLY | 0 | -0.016 | -0.005 | 36.358 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | LEU | 0 | 0.008 | 0.002 | 30.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | PHE | 0 | 0.003 | -0.003 | 33.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | SER | 0 | -0.012 | -0.010 | 36.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | VAL | 0 | 0.020 | 0.013 | 31.225 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | CYS | 0 | -0.035 | -0.004 | 31.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | TYR | 0 | -0.032 | -0.050 | 32.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | PRO | 0 | -0.015 | -0.013 | 34.991 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | ARG | 1 | 0.923 | 0.946 | 27.561 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | VAL | 0 | 0.004 | 0.042 | 31.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | SER | 0 | 0.033 | 0.016 | 33.947 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | SER | 0 | 0.017 | -0.006 | 36.210 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ALA | 0 | 0.004 | -0.006 | 38.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | VAL | 0 | 0.071 | 0.040 | 33.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | LYS | 1 | 0.827 | 0.924 | 36.889 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ALA | 0 | -0.009 | -0.009 | 38.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | GLU | -1 | -0.897 | -0.947 | 36.798 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | LEU | 0 | -0.006 | -0.005 | 34.831 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | ARG | 1 | 0.895 | 0.944 | 38.805 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | GLN | 0 | -0.006 | 0.012 | 42.162 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | TYR | 0 | -0.003 | -0.017 | 37.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | PHE | 0 | 0.026 | 0.017 | 40.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ARG | 1 | 0.902 | 0.933 | 42.167 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ASN | 0 | -0.009 | -0.007 | 42.347 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | LEU | 0 | 0.008 | 0.021 | 39.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | CYS | 0 | -0.036 | -0.024 | 43.655 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | SER | 0 | -0.099 | -0.038 | 46.851 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ASP | -1 | -0.734 | -0.846 | 43.836 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | ASP | -1 | -0.833 | -0.915 | 46.816 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | THR | 0 | -0.094 | -0.054 | 44.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | PRO | 0 | 0.040 | 0.005 | 47.121 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | MET | 0 | -0.036 | -0.024 | 44.457 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | VAL | 0 | 0.015 | 0.019 | 42.152 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ARG | 1 | 0.826 | 0.910 | 44.214 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ARG | 1 | 0.900 | 0.949 | 46.782 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | ALA | 0 | 0.019 | 0.017 | 41.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ALA | 0 | 0.050 | 0.037 | 43.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | ALA | 0 | 0.035 | 0.005 | 44.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | SER | 0 | -0.122 | -0.076 | 43.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | LYS | 1 | 0.927 | 0.966 | 38.815 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | 0.015 | 0.013 | 43.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | GLY | 0 | 0.028 | 0.016 | 45.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | GLU | -1 | -0.854 | -0.944 | 39.066 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | PHE | 0 | -0.019 | -0.013 | 39.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | ALA | 0 | 0.017 | 0.004 | 42.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | LYS | 1 | 0.922 | 0.975 | 43.003 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | VAL | 0 | -0.060 | -0.028 | 38.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | LEU | 0 | -0.039 | -0.005 | 41.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | GLU | -1 | -0.832 | -0.860 | 43.423 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LEU | 0 | 0.051 | -0.010 | 46.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ASP | -1 | -0.914 | -0.942 | 49.426 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ASN | 0 | -0.031 | -0.026 | 46.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | VAL | 0 | 0.020 | 0.017 | 47.903 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | LYS | 1 | 0.929 | 0.952 | 49.828 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | SER | 0 | -0.056 | -0.023 | 51.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | GLU | -1 | -0.827 | -0.930 | 47.233 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ILE | 0 | -0.009 | 0.003 | 46.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ILE | 0 | 0.019 | 0.022 | 49.934 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | PRO | 0 | -0.002 | 0.000 | 52.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | MET | 0 | -0.030 | 0.009 | 46.283 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | PHE | 0 | -0.001 | -0.014 | 51.221 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | SER | 0 | -0.021 | -0.016 | 52.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASN | 0 | 0.005 | -0.006 | 53.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | LEU | 0 | 0.001 | 0.006 | 48.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ALA | 0 | -0.008 | -0.012 | 53.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | SER | 0 | -0.054 | -0.009 | 56.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ASP | -1 | -0.764 | -0.862 | 53.233 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | GLU | -1 | -0.881 | -0.956 | 56.306 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | GLN | 0 | -0.078 | -0.038 | 53.427 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | ASP | -1 | -0.830 | -0.917 | 55.627 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | SER | 0 | -0.107 | -0.067 | 52.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | VAL | 0 | -0.007 | -0.005 | 50.493 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | ARG | 1 | 0.765 | 0.865 | 52.606 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | LEU | 0 | -0.017 | -0.012 | 52.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LEU | 0 | -0.060 | -0.027 | 48.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | 0.026 | 0.016 | 51.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | VAL | 0 | 0.015 | 0.004 | 53.383 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | GLU | -1 | -0.857 | -0.924 | 49.118 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | ALA | 0 | 0.034 | 0.017 | 50.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | CYS | 0 | -0.017 | -0.007 | 50.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | VAL | 0 | -0.010 | 0.012 | 52.887 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | ASN | 0 | -0.031 | -0.024 | 48.367 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ILE | 0 | -0.005 | -0.019 | 50.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ALA | 0 | -0.001 | 0.002 | 52.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | GLN | 0 | -0.027 | -0.018 | 51.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | LEU | 0 | -0.072 | -0.033 | 47.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LEU | 0 | -0.047 | -0.011 | 51.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | PRO | 0 | -0.031 | 0.008 | 54.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | GLN | 0 | 0.105 | 0.016 | 57.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | GLU | -1 | -0.931 | -0.969 | 60.985 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | ASP | -1 | -0.900 | -0.959 | 57.871 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | LEU | 0 | 0.004 | 0.014 | 57.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | GLU | -1 | -0.848 | -0.921 | 60.656 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | ALA | 0 | -0.007 | -0.014 | 62.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | LEU | 0 | -0.047 | -0.025 | 56.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | VAL | 0 | 0.002 | -0.009 | 56.729 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | MET | 0 | -0.021 | 0.009 | 59.370 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | PRO | 0 | -0.030 | -0.010 | 61.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | THR | 0 | 0.027 | 0.011 | 57.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | LEU | 0 | 0.030 | 0.015 | 59.674 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ARG | 1 | 0.767 | 0.857 | 61.263 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | GLN | 0 | 0.002 | 0.002 | 61.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ALA | 0 | -0.011 | 0.001 | 59.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ALA | 0 | -0.028 | -0.023 | 61.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | GLU | -1 | -0.961 | -0.977 | 64.611 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | ASP | -1 | -0.757 | -0.823 | 61.407 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | LYS | 1 | 0.970 | 0.967 | 64.479 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | SER | 0 | -0.025 | -0.004 | 60.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | TRP | 0 | 0.088 | 0.032 | 61.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ARG | 1 | 0.948 | 0.975 | 54.797 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | VAL | 0 | 0.004 | 0.013 | 58.370 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ARG | 1 | 0.819 | 0.874 | 59.800 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | TYR | 0 | -0.017 | -0.010 | 57.827 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | MET | 0 | 0.001 | 0.000 | 53.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | VAL | 0 | -0.013 | 0.003 | 58.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | ALA | 0 | -0.003 | -0.013 | 60.432 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ASP | -1 | -0.977 | -0.992 | 55.997 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | LYS | 1 | 0.914 | 0.963 | 52.040 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | PHE | 0 | -0.005 | 0.000 | 57.890 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | THR | 0 | 0.021 | 0.012 | 59.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | GLU | -1 | -0.936 | -0.968 | 53.758 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | LEU | 0 | 0.011 | 0.008 | 57.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | GLN | 0 | -0.017 | -0.017 | 59.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | LYS | 1 | 0.882 | 0.925 | 57.487 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ALA | 0 | -0.043 | -0.020 | 56.181 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | VAL | 0 | 0.008 | 0.018 | 57.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLY | 0 | 0.035 | 0.036 | 61.001 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | PRO | 0 | 0.010 | -0.019 | 63.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLU | -1 | -0.954 | -0.976 | 66.774 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | ILE | 0 | 0.079 | 0.037 | 63.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | THR | 0 | -0.033 | -0.026 | 65.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | LYS | 1 | 0.905 | 0.943 | 67.116 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | THR | 0 | -0.004 | -0.001 | 70.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ASP | -1 | -0.797 | -0.887 | 67.209 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | LEU | 0 | -0.033 | -0.005 | 63.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | VAL | 0 | 0.003 | 0.005 | 67.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | PRO | 0 | -0.011 | -0.005 | 70.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | ALA | 0 | 0.015 | 0.012 | 67.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | PHE | 0 | 0.011 | -0.004 | 66.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | GLN | 0 | -0.033 | -0.027 | 69.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | ASN | 0 | -0.005 | -0.004 | 70.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | LEU | 0 | 0.011 | 0.019 | 65.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | MET | 0 | -0.044 | -0.021 | 68.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | LYS | 1 | 0.825 | 0.909 | 71.156 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | ASP | -1 | -0.731 | -0.820 | 68.349 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | CYS | 0 | -0.040 | -0.030 | 71.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | GLU | -1 | -0.908 | -0.965 | 67.122 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | ALA | 0 | -0.020 | -0.026 | 68.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | GLU | -1 | -0.879 | -0.937 | 63.410 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | VAL | 0 | 0.005 | -0.005 | 64.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | ARG | 1 | 0.786 | 0.905 | 65.612 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ALA | 0 | -0.004 | -0.003 | 65.560 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | ALA | 0 | 0.000 | 0.004 | 62.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | ALA | 0 | 0.012 | -0.007 | 63.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | SER | 0 | -0.033 | -0.025 | 66.198 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | HIS | 0 | 0.029 | 0.016 | 62.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | LYS | 1 | 0.884 | 0.960 | 59.028 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | VAL | 0 | 0.017 | 0.018 | 64.741 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | LYS | 1 | 0.945 | 0.978 | 64.236 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | GLU | -1 | -0.894 | -0.956 | 60.782 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | PHE | 0 | 0.010 | 0.013 | 64.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | CYS | 0 | -0.014 | -0.021 | 66.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLU | -1 | -0.954 | -0.983 | 65.149 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | ASN | 0 | -0.040 | -0.021 | 62.702 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | LEU | 0 | -0.028 | 0.012 | 66.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | SER | 0 | 0.009 | 0.000 | 69.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | ALA | 0 | -0.005 | -0.029 | 70.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | ASP | -1 | -0.953 | -0.971 | 72.735 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | CYS | 0 | 0.010 | 0.034 | 73.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | ARG | 1 | 0.892 | 0.938 | 69.020 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | GLU | -1 | -0.870 | -0.946 | 74.166 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | ASN | 0 | -0.014 | 0.001 | 77.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | VAL | 0 | 0.046 | 0.011 | 73.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | ILE | 0 | -0.001 | 0.014 | 73.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | MET | 0 | 0.008 | 0.006 | 76.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | SER | 0 | -0.045 | -0.028 | 79.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | GLN | 0 | -0.040 | -0.013 | 76.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | ILE | 0 | 0.026 | 0.003 | 72.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | LEU | 0 | -0.005 | 0.009 | 75.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | PRO | 0 | -0.013 | -0.022 | 78.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | CYS | 0 | -0.012 | 0.004 | 75.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | ILE | 0 | 0.045 | 0.021 | 73.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | LYS | 1 | 0.909 | 0.953 | 76.094 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | GLU | -1 | -0.896 | -0.950 | 78.336 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | LEU | 0 | 0.012 | 0.014 | 72.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | VAL | 0 | -0.032 | -0.006 | 75.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | SER | 0 | -0.067 | -0.035 | 77.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | ASP | -1 | -0.782 | -0.869 | 73.904 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | ALA | 0 | -0.001 | -0.012 | 76.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | ASN | 0 | -0.016 | -0.021 | 69.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | GLN | 0 | 0.037 | -0.012 | 70.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | HIS | 0 | 0.030 | 0.031 | 65.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | VAL | 0 | -0.022 | 0.006 | 68.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | LYS | 1 | 0.868 | 0.922 | 70.021 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | SER | 0 | -0.006 | -0.007 | 68.103 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | ALA | 0 | 0.026 | 0.008 | 66.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | LEU | 0 | -0.006 | 0.013 | 67.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | ALA | 0 | 0.009 | -0.005 | 70.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | SER | 0 | -0.077 | -0.029 | 65.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | VAL | 0 | -0.016 | -0.008 | 65.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | ILE | 0 | -0.004 | -0.002 | 68.343 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | MET | 0 | 0.022 | 0.022 | 71.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | GLY | 0 | 0.014 | 0.009 | 69.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | LEU | 0 | -0.013 | -0.024 | 70.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | SER | 0 | 0.002 | 0.004 | 72.884 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | PRO | 0 | -0.021 | -0.014 | 71.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | ILE | 0 | -0.073 | -0.030 | 69.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | LEU | 0 | -0.004 | -0.001 | 73.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | GLY | 0 | 0.072 | 0.058 | 77.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | LYS | 1 | 0.950 | 0.963 | 79.162 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | ASP | -1 | -0.929 | -0.972 | 81.642 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | ASN | 0 | 0.045 | 0.015 | 80.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | THR | 0 | 0.003 | 0.015 | 78.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | ILE | 0 | -0.064 | -0.057 | 80.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | GLU | -1 | -0.978 | -0.985 | 84.031 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | HIS | 0 | 0.042 | 0.010 | 81.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | LEU | 0 | -0.014 | 0.001 | 76.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | LEU | 0 | -0.009 | 0.009 | 80.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | PRO | 0 | -0.002 | 0.001 | 82.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | LEU | 0 | 0.002 | 0.003 | 78.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 368 | PHE | 0 | 0.015 | -0.012 | 76.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 369 | LEU | 0 | -0.033 | -0.022 | 79.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | ALA | 0 | -0.036 | -0.008 | 80.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | GLN | 0 | 0.037 | 0.003 | 73.517 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | LEU | 0 | -0.013 | 0.003 | 77.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 373 | LYS | 1 | 0.894 | 0.944 | 78.632 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | ASP | -1 | -0.780 | -0.852 | 76.616 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | GLU | -1 | -0.950 | -0.984 | 78.759 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | CYS | 0 | -0.089 | -0.030 | 71.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 377 | PRO | 0 | -0.048 | -0.046 | 72.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | GLU | -1 | -0.878 | -0.947 | 66.476 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | VAL | 0 | 0.009 | 0.007 | 70.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | ARG | 1 | 0.936 | 0.970 | 72.600 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | LEU | 0 | -0.031 | -0.001 | 68.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | ASN | 0 | 0.014 | -0.002 | 67.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | ILE | 0 | -0.034 | 0.009 | 70.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | ILE | 0 | -0.017 | -0.018 | 72.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | SER | 0 | -0.059 | -0.043 | 67.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | ASN | 0 | -0.033 | 0.003 | 67.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | LEU | 0 | -0.037 | -0.024 | 70.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | ASP | -1 | -0.888 | -0.940 | 69.227 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | CYS | 0 | 0.042 | 0.002 | 69.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | VAL | 0 | -0.003 | 0.005 | 72.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | ASN | 0 | -0.001 | -0.014 | 75.493 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | GLU | -1 | -0.969 | -0.971 | 71.022 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | VAL | 0 | -0.041 | 0.005 | 75.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | ILE | 0 | -0.070 | -0.040 | 77.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | GLY | 0 | -0.029 | -0.011 | 80.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | ILE | 0 | 0.172 | 0.078 | 79.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | ARG | 1 | 0.937 | 0.963 | 81.937 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | GLN | 0 | -0.074 | -0.045 | 84.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | LEU | 0 | 0.071 | 0.048 | 78.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | SER | 0 | 0.035 | 0.023 | 82.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | GLN | 0 | -0.041 | -0.028 | 84.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | SER | 0 | -0.014 | -0.013 | 83.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | LEU | 0 | 0.043 | 0.016 | 79.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | LEU | 0 | -0.014 | -0.007 | 83.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | PRO | 0 | -0.022 | -0.022 | 85.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 406 | ALA | 0 | 0.045 | 0.028 | 83.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 407 | ILE | 0 | 0.025 | 0.015 | 80.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 408 | VAL | 0 | -0.054 | -0.040 | 83.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 409 | GLU | -1 | -0.908 | -0.958 | 86.462 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 410 | LEU | 0 | 0.005 | 0.006 | 80.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 411 | ALA | 0 | -0.043 | -0.027 | 83.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 412 | GLU | -1 | -0.993 | -0.990 | 84.254 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 413 | ASP | -1 | -0.802 | -0.891 | 83.947 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 414 | ALA | 0 | 0.024 | 0.007 | 86.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 415 | LYS | 1 | 0.854 | 0.918 | 81.298 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 416 | TRP | 0 | 0.070 | 0.019 | 76.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 417 | ARG | 1 | 0.933 | 0.963 | 76.506 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 418 | VAL | 0 | 0.014 | 0.018 | 77.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 419 | ARG | 1 | 0.818 | 0.905 | 79.388 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 420 | LEU | 0 | -0.006 | -0.010 | 75.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 421 | ALA | 0 | -0.001 | 0.002 | 75.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 422 | ILE | 0 | 0.003 | -0.001 | 75.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 423 | ILE | 0 | -0.032 | -0.011 | 76.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 424 | GLU | -1 | -0.920 | -0.970 | 72.098 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 425 | TYR | 0 | 0.000 | 0.006 | 72.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 426 | MET | 0 | -0.009 | 0.018 | 74.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 427 | PRO | 0 | -0.009 | -0.002 | 71.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 428 | LEU | 0 | 0.035 | 0.017 | 68.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 429 | LEU | 0 | -0.005 | -0.003 | 71.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 430 | ALA | 0 | -0.037 | -0.023 | 74.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 431 | GLY | 0 | -0.105 | -0.056 | 71.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 432 | GLN | 0 | 0.012 | 0.009 | 70.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 433 | LEU | 0 | -0.045 | -0.030 | 72.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 434 | GLY | 0 | 0.018 | 0.031 | 75.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 435 | VAL | 0 | -0.017 | -0.023 | 76.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 436 | GLU | -1 | -0.928 | -0.967 | 79.252 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 437 | PHE | 0 | -0.024 | -0.017 | 79.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 438 | PHE | 0 | -0.012 | -0.005 | 77.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 439 | ASP | -1 | -0.786 | -0.884 | 83.234 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 440 | GLU | -1 | -0.957 | -1.024 | 86.918 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 441 | LYS | 1 | 0.947 | 0.994 | 88.631 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 442 | LEU | 0 | 0.080 | 0.066 | 81.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 443 | ASN | 0 | -0.003 | -0.028 | 84.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 444 | SER | 0 | -0.096 | -0.085 | 86.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 445 | LEU | 0 | 0.026 | 0.013 | 84.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 446 | CYS | 0 | -0.052 | -0.024 | 82.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 447 | MET | 0 | -0.060 | -0.008 | 84.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 448 | ALA | 0 | 0.026 | 0.011 | 87.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 449 | TRP | 0 | 0.047 | 0.024 | 81.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 450 | LEU | 0 | -0.029 | -0.016 | 83.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 451 | VAL | 0 | -0.043 | -0.020 | 86.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 452 | ASP | -1 | -0.770 | -0.871 | 85.446 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 453 | HIS | 0 | 0.028 | -0.003 | 87.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 454 | VAL | 0 | -0.051 | -0.026 | 81.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 455 | TYR | 0 | -0.019 | -0.018 | 78.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 456 | ALA | 0 | 0.054 | 0.020 | 77.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 457 | ILE | 0 | -0.012 | 0.016 | 78.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 458 | ARG | 1 | 0.891 | 0.965 | 81.112 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 459 | GLU | -1 | -0.930 | -0.966 | 75.388 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 460 | ALA | 0 | 0.051 | 0.024 | 76.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 461 | ALA | 0 | 0.020 | 0.006 | 77.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 462 | THR | 0 | -0.031 | -0.024 | 79.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 463 | SER | 0 | -0.022 | -0.012 | 74.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 464 | ASN | 0 | 0.039 | 0.018 | 76.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 465 | LEU | 0 | -0.006 | 0.004 | 77.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 466 | LYS | 1 | 0.888 | 0.933 | 76.658 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 467 | LYS | 1 | 0.970 | 0.984 | 70.633 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 468 | LEU | 0 | 0.003 | 0.006 | 75.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 469 | VAL | 0 | -0.037 | -0.016 | 77.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 470 | GLU | -1 | -0.985 | -0.997 | 74.012 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 471 | LYS | 1 | 0.898 | 0.977 | 71.627 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 472 | PHE | 0 | 0.000 | -0.014 | 75.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 473 | GLY | 0 | 0.032 | 0.031 | 78.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 474 | LYS | 1 | 0.945 | 0.949 | 79.550 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 475 | GLU | -1 | -0.903 | -0.957 | 82.577 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 476 | TRP | 0 | 0.049 | 0.038 | 81.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 477 | ALA | 0 | 0.041 | 0.013 | 83.506 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 478 | HIS | 0 | -0.030 | -0.026 | 85.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 479 | ALA | 0 | 0.005 | 0.002 | 87.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 480 | THR | 0 | -0.033 | -0.015 | 86.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 481 | ILE | 0 | -0.023 | -0.015 | 84.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 482 | ILE | 0 | -0.007 | 0.001 | 88.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 483 | PRO | 0 | 0.011 | 0.012 | 90.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 484 | LYS | 1 | 0.942 | 0.989 | 89.782 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 485 | VAL | 0 | 0.016 | 0.017 | 89.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 486 | LEU | 0 | -0.015 | -0.012 | 92.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 487 | ALA | 0 | -0.009 | 0.033 | 96.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 488 | MET | 0 | 0.007 | 0.015 | 92.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 489 | SER | 0 | -0.075 | -0.076 | 97.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 490 | GLY | 0 | -0.045 | -0.022 | 99.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 491 | ASP | -1 | -0.819 | -0.906 | 99.431 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 492 | PRO | 0 | 0.053 | 0.029 | 101.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 493 | ASN | 0 | 0.011 | 0.017 | 98.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 494 | TYR | 0 | 0.069 | -0.002 | 97.011 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 495 | LEU | 0 | 0.036 | 0.030 | 94.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 496 | HIS | 0 | -0.057 | -0.034 | 94.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 497 | ARG | 1 | 0.808 | 0.908 | 95.410 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 498 | MET | 0 | -0.068 | -0.019 | 93.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 499 | THR | 0 | -0.001 | -0.009 | 90.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 500 | THR | 0 | -0.009 | 0.001 | 91.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 501 | LEU | 0 | 0.016 | -0.009 | 91.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 502 | PHE | 0 | -0.054 | -0.020 | 87.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 503 | CYS | 0 | 0.021 | 0.019 | 87.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 504 | ILE | 0 | -0.004 | 0.002 | 86.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 505 | ASN | 0 | 0.010 | 0.007 | 86.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 506 | VAL | 0 | 0.003 | 0.016 | 81.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 507 | LEU | 0 | 0.025 | -0.004 | 82.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 508 | SER | 0 | -0.027 | -0.002 | 84.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 509 | GLU | -1 | -0.846 | -0.921 | 79.635 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 510 | VAL | 0 | -0.002 | 0.001 | 78.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 511 | CYS | 0 | -0.040 | -0.018 | 80.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 512 | GLY | 0 | -0.025 | -0.009 | 83.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 513 | GLN | 0 | 0.039 | 0.017 | 84.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 514 | ASP | -1 | -0.850 | -0.904 | 87.087 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 515 | ILE | 0 | 0.046 | 0.022 | 85.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 516 | THR | 0 | 0.032 | 0.001 | 87.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 517 | THR | 0 | -0.011 | -0.020 | 89.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 518 | LYS | 1 | 0.844 | 0.906 | 92.446 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 519 | HIS | 0 | -0.024 | -0.013 | 91.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 520 | MET | 0 | -0.031 | 0.005 | 87.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 521 | LEU | 0 | 0.050 | 0.025 | 93.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 522 | PRO | 0 | 0.035 | 0.018 | 94.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 523 | THR | 0 | -0.023 | -0.013 | 96.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 524 | VAL | 0 | 0.025 | 0.013 | 93.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 525 | LEU | 0 | 0.004 | -0.002 | 97.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 526 | ARG | 1 | 0.922 | 0.965 | 99.834 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 527 | MET | 0 | -0.040 | -0.020 | 97.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 528 | ALA | 0 | 0.014 | 0.023 | 101.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 529 | GLY | 0 | -0.057 | -0.034 | 102.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 530 | ASP | -1 | -0.807 | -0.895 | 102.513 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 531 | PRO | 0 | 0.037 | 0.006 | 104.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 532 | VAL | 0 | -0.061 | -0.022 | 101.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 533 | ALA | 0 | 0.058 | 0.015 | 102.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 534 | ASN | 0 | -0.021 | -0.020 | 97.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 535 | VAL | 0 | 0.051 | 0.016 | 98.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 536 | ARG | 1 | 0.796 | 0.886 | 98.335 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 537 | PHE | 0 | 0.058 | 0.035 | 94.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 538 | ASN | 0 | 0.002 | -0.017 | 93.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 539 | VAL | 0 | -0.006 | 0.014 | 94.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 540 | ALA | 0 | 0.006 | 0.011 | 95.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 541 | LYS | 1 | 0.921 | 0.964 | 90.018 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 542 | SER | 0 | -0.048 | -0.021 | 90.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 543 | LEU | 0 | 0.011 | -0.007 | 90.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 544 | GLN | 0 | 0.019 | 0.013 | 88.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 545 | LYS | 1 | 0.835 | 0.918 | 83.075 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 546 | ILE | 0 | -0.003 | -0.015 | 86.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 547 | GLY | 0 | 0.035 | 0.029 | 88.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 548 | PRO | 0 | -0.011 | -0.022 | 85.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 549 | ILE | 0 | -0.038 | 0.004 | 84.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 550 | LEU | 0 | -0.054 | -0.033 | 86.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 551 | ASP | -1 | -0.833 | -0.906 | 89.392 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 552 | ASN | 0 | 0.030 | 0.005 | 91.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 553 | SER | 0 | -0.006 | -0.009 | 92.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 554 | THR | 0 | 0.038 | 0.033 | 94.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 555 | LEU | 0 | 0.002 | 0.000 | 91.053 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 556 | GLN | 0 | -0.044 | -0.034 | 95.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 557 | SER | 0 | -0.050 | -0.041 | 98.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 558 | GLU | -1 | -0.922 | -0.959 | 98.719 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 559 | VAL | 0 | -0.020 | -0.005 | 94.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 560 | LYS | 1 | 0.949 | 0.982 | 98.225 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 561 | PRO | 0 | 0.027 | 0.022 | 99.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 562 | ILE | 0 | -0.045 | -0.014 | 100.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 563 | LEU | 0 | 0.024 | -0.005 | 95.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 564 | GLU | -1 | -0.861 | -0.942 | 100.456 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 565 | LYS | 1 | 0.937 | 1.012 | 103.359 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 566 | LEU | 0 | -0.023 | -0.005 | 100.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 567 | THR | 0 | -0.071 | -0.073 | 101.409 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 568 | GLN | 0 | -0.106 | -0.051 | 103.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 569 | ASP | -1 | -0.775 | -0.847 | 104.799 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 570 | GLN | 0 | 0.003 | -0.010 | 106.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 571 | ASP | -1 | -0.904 | -0.957 | 102.699 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 572 | VAL | 0 | -0.008 | -0.045 | 101.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 573 | ASP | -1 | -0.855 | -0.932 | 98.145 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 574 | VAL | 0 | -0.083 | -0.039 | 98.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 575 | LYS | 1 | 0.941 | 1.001 | 100.228 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 576 | TYR | 0 | -0.066 | -0.024 | 92.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 577 | PHE | 0 | 0.043 | -0.007 | 92.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 578 | ALA | 0 | -0.021 | 0.011 | 95.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 579 | GLN | 0 | 0.024 | -0.002 | 97.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 580 | GLU | -1 | -0.900 | -0.944 | 91.465 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 581 | ALA | 0 | 0.032 | 0.020 | 92.825 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 582 | LEU | 0 | -0.028 | -0.019 | 93.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 583 | THR | 0 | -0.023 | -0.007 | 91.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 584 | VAL | 0 | -0.043 | -0.023 | 88.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 585 | LEU | 0 | -0.073 | -0.027 | 89.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 586 | SER | 0 | -0.043 | -0.020 | 90.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 587 | LEU | 0 | -0.052 | -0.019 | 92.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 588 | ALA | 0 | -0.033 | -0.007 | 95.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |