FMODB ID: QV87Y
Calculation Name: 3AGR-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3AGR
Chain ID: A
UniProt ID: C9K7J7
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 584 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12418490.07231 |
---|---|
FMO2-HF: Nuclear repulsion | 12187028.940817 |
FMO2-HF: Total energy | -231461.131493 |
FMO2-MP2: Total energy | -232128.100621 |
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:12:ALA)
Summations of interaction energy for
fragment #1(A:12: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. |
-5.057 | -2.2 | 2.699 | -2.234 | -3.321 | -0.015 |
Interaction energy analysis for fragmet #1(A:12: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 | 14 | THR | 0 | 0.008 | -0.007 | 2.235 | -6.121 | -3.759 | 2.698 | -2.167 | -2.893 | -0.015 |
4 | A | 15 | GLU | -1 | -0.803 | -0.883 | 3.762 | -1.105 | -0.695 | 0.002 | -0.062 | -0.349 | 0.000 |
5 | A | 16 | LYS | 1 | 0.875 | 0.939 | 5.388 | 0.577 | 0.662 | -0.001 | -0.005 | -0.079 | 0.000 |
6 | A | 17 | HIS | 0 | 0.008 | 0.000 | 7.620 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 18 | ILE | 0 | -0.030 | -0.003 | 7.319 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 19 | SER | 0 | -0.019 | -0.034 | 8.822 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 20 | ALA | 0 | 0.019 | 0.008 | 11.314 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 21 | GLY | 0 | 0.012 | 0.012 | 12.645 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 22 | LYS | 1 | 0.840 | 0.907 | 10.240 | 0.770 | 0.770 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 23 | ALA | 0 | 0.007 | 0.014 | 15.415 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 24 | ARG | 1 | 0.904 | 0.948 | 17.204 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 25 | LEU | 0 | -0.015 | -0.029 | 17.799 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 26 | GLN | 0 | -0.004 | 0.007 | 20.054 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 27 | ASP | -1 | -0.813 | -0.899 | 21.614 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 28 | LEU | 0 | -0.019 | -0.016 | 23.341 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 29 | ARG | 1 | 0.907 | 0.957 | 20.958 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 30 | ASP | -1 | -0.840 | -0.887 | 25.681 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 31 | ALA | 0 | 0.033 | 0.020 | 27.474 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 32 | GLU | -1 | -0.817 | -0.868 | 29.013 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 33 | ARG | 1 | 0.730 | 0.832 | 28.771 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 34 | ARG | 1 | 0.832 | 0.890 | 28.507 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 35 | CYS | 0 | -0.058 | -0.044 | 33.261 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 36 | HIS | 0 | -0.060 | -0.032 | 33.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 37 | ASP | -1 | -0.783 | -0.875 | 37.269 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 38 | ALA | 0 | -0.001 | -0.004 | 39.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 39 | TRP | 0 | -0.027 | -0.007 | 41.291 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 40 | GLN | 0 | 0.007 | -0.001 | 45.001 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 41 | ALA | 0 | 0.026 | 0.018 | 48.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 42 | ILE | 0 | -0.003 | -0.005 | 51.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 43 | VAL | 0 | -0.012 | -0.010 | 55.155 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 44 | VAL | 0 | 0.016 | 0.011 | 58.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 45 | ILE | 0 | -0.017 | -0.011 | 62.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 46 | ASP | -1 | -0.785 | -0.887 | 65.245 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 47 | GLY | 0 | 0.039 | -0.013 | 67.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 48 | GLY | 0 | 0.044 | 0.041 | 71.557 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 49 | SER | 0 | -0.004 | -0.031 | 74.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 50 | SER | 0 | 0.004 | 0.002 | 76.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 51 | ALA | 0 | -0.043 | -0.025 | 72.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 52 | THR | 0 | -0.003 | 0.001 | 69.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 53 | ARG | 1 | 0.839 | 0.915 | 65.332 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 54 | THR | 0 | 0.048 | 0.036 | 61.676 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 55 | ASN | 0 | -0.014 | -0.022 | 61.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 56 | VAL | 0 | 0.028 | 0.027 | 55.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 57 | PHE | 0 | 0.035 | 0.003 | 54.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 58 | LEU | 0 | -0.032 | -0.018 | 47.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 59 | ALA | 0 | 0.041 | 0.033 | 48.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 60 | LYS | 1 | 0.823 | 0.902 | 41.216 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 61 | THR | 0 | 0.003 | 0.001 | 44.765 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 62 | ARG | 1 | 0.872 | 0.896 | 38.410 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 63 | SER | 0 | 0.003 | 0.008 | 40.149 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 65 | PRO | 0 | 0.046 | 0.026 | 34.860 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 66 | ARG | 1 | 0.909 | 0.960 | 35.514 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 67 | GLY | 0 | 0.034 | 0.018 | 40.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 68 | GLY | 0 | 0.043 | 0.032 | 43.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 69 | ARG | 1 | 0.848 | 0.919 | 41.750 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 70 | HIS | 0 | 0.000 | 0.005 | 43.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 71 | ILE | 0 | 0.028 | 0.015 | 46.610 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 72 | ASP | -1 | -0.796 | -0.881 | 44.733 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 73 | PRO | 0 | 0.041 | 0.026 | 47.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 74 | ASP | -1 | -0.819 | -0.923 | 48.065 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 75 | SER | 0 | -0.140 | -0.067 | 46.057 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 76 | ILE | 0 | -0.022 | 0.001 | 47.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 77 | ARG | 1 | 0.912 | 0.951 | 48.813 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 78 | LEU | 0 | -0.005 | -0.002 | 52.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 79 | LEU | 0 | -0.040 | -0.007 | 51.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 80 | GLY | 0 | 0.029 | -0.004 | 54.511 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 81 | ALA | 0 | 0.017 | 0.019 | 58.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 82 | GLY | 0 | 0.023 | 0.015 | 61.744 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 83 | LYS | 1 | 0.850 | 0.908 | 63.822 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 84 | ARG | 1 | 0.890 | 0.957 | 67.130 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 85 | PHE | 0 | 0.058 | 0.025 | 66.419 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 86 | ALA | 0 | 0.083 | 0.039 | 71.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 87 | GLY | 0 | 0.031 | 0.028 | 73.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 88 | LEU | 0 | 0.005 | -0.007 | 72.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 89 | ARG | 1 | 0.842 | 0.932 | 76.210 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 90 | GLY | 0 | 0.051 | 0.037 | 79.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 91 | VAL | 0 | -0.026 | 0.003 | 75.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 92 | LEU | 0 | -0.004 | -0.002 | 79.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 93 | GLU | -1 | -0.798 | -0.902 | 81.291 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 94 | SER | 0 | 0.007 | -0.004 | 82.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 95 | TRP | 0 | -0.066 | -0.040 | 81.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 96 | LEU | 0 | 0.002 | -0.002 | 83.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 97 | ASP | -1 | -0.780 | -0.847 | 86.942 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 98 | ALA | 0 | -0.038 | -0.006 | 86.272 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 99 | TYR | 0 | -0.054 | -0.035 | 83.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 100 | ALA | 0 | -0.049 | -0.028 | 89.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 101 | GLY | 0 | -0.011 | 0.006 | 90.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 102 | GLU | -1 | -0.914 | -0.973 | 92.933 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 103 | ASP | -1 | -0.828 | -0.889 | 94.403 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 104 | TRP | 0 | -0.041 | -0.038 | 86.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 105 | GLU | -1 | -0.794 | -0.876 | 88.979 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 106 | SER | 0 | -0.092 | -0.073 | 92.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 107 | ARG | 1 | 0.856 | 0.930 | 96.105 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 108 | SER | 0 | -0.002 | -0.001 | 95.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 109 | VAL | 0 | 0.038 | 0.024 | 90.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 110 | ASP | -1 | -0.827 | -0.909 | 93.183 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 111 | SER | 0 | 0.017 | 0.008 | 87.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 112 | LYS | 1 | 0.953 | 0.971 | 88.175 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 113 | ARG | 1 | 0.848 | 0.910 | 89.432 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 114 | LEU | 0 | 0.025 | 0.022 | 85.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 115 | PHE | 0 | -0.010 | 0.003 | 83.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 116 | GLN | 0 | -0.057 | -0.022 | 84.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 117 | HIS | 1 | 0.897 | 0.954 | 84.126 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 118 | VAL | 0 | 0.047 | 0.032 | 79.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 119 | PRO | 0 | 0.015 | 0.017 | 78.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 120 | GLU | -1 | -0.801 | -0.914 | 78.172 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 121 | MET | 0 | -0.080 | -0.015 | 77.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 122 | GLU | -1 | -0.851 | -0.926 | 72.939 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 123 | ASP | -1 | -0.929 | -0.969 | 74.255 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 124 | SER | 0 | 0.011 | 0.004 | 74.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 125 | ALA | 0 | -0.005 | -0.009 | 73.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 126 | ARG | 1 | 0.856 | 0.921 | 68.356 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 127 | GLY | 0 | 0.026 | 0.014 | 70.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 128 | LEU | 0 | -0.052 | -0.023 | 70.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 129 | MET | 0 | 0.003 | -0.010 | 67.271 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 130 | GLN | 0 | -0.018 | -0.019 | 64.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 131 | LEU | 0 | 0.007 | 0.011 | 65.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 132 | LEU | 0 | -0.041 | -0.021 | 65.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 133 | GLU | -1 | -0.739 | -0.839 | 61.067 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 134 | ASP | -1 | -0.833 | -0.905 | 60.926 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 135 | ASP | -1 | -0.804 | -0.876 | 60.983 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 136 | ALA | 0 | 0.022 | 0.012 | 59.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 137 | VAL | 0 | 0.004 | -0.003 | 56.115 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 138 | ARG | 1 | 0.749 | 0.854 | 56.172 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 139 | ILE | 0 | -0.042 | -0.028 | 56.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 140 | LEU | 0 | -0.012 | -0.008 | 52.631 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 141 | ASP | -1 | -0.771 | -0.858 | 51.911 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 142 | GLU | -1 | -0.871 | -0.891 | 52.085 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 143 | LYS | 1 | 0.769 | 0.871 | 51.524 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 144 | LEU | 0 | -0.035 | 0.006 | 47.857 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 145 | THR | 0 | 0.011 | -0.002 | 42.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 146 | GLU | -1 | -0.909 | -0.961 | 41.924 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 147 | GLU | -1 | -0.848 | -0.914 | 38.825 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 148 | GLN | 0 | 0.030 | 0.008 | 41.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 149 | LYS | 1 | 0.859 | 0.923 | 44.635 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 150 | VAL | 0 | 0.030 | 0.016 | 41.820 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 151 | GLN | 0 | -0.037 | -0.024 | 39.863 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 152 | VAL | 0 | 0.001 | 0.002 | 44.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 153 | GLN | 0 | -0.047 | -0.030 | 47.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 154 | ALA | 0 | -0.040 | -0.008 | 45.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 155 | MET | 0 | -0.036 | -0.019 | 45.570 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 156 | GLY | 0 | 0.010 | 0.024 | 48.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 157 | VAL | 0 | -0.028 | -0.013 | 51.517 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 158 | PRO | 0 | -0.008 | 0.000 | 53.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 159 | VAL | 0 | 0.004 | 0.010 | 56.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 160 | LEU | 0 | 0.004 | 0.027 | 59.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 161 | LEU | 0 | -0.021 | -0.004 | 62.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 162 | CYS | 0 | 0.015 | 0.009 | 66.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 163 | SER | 0 | -0.007 | -0.011 | 68.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 164 | THR | 0 | 0.041 | 0.024 | 70.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 165 | ALA | 0 | 0.014 | -0.016 | 73.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 166 | GLY | 0 | -0.055 | -0.025 | 76.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 167 | VAL | 0 | 0.040 | 0.022 | 75.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 168 | ARG | 1 | 0.724 | 0.850 | 73.558 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 169 | ASP | -1 | -0.857 | -0.925 | 79.702 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 170 | PHE | 0 | -0.041 | -0.015 | 81.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 171 | HIS | 0 | 0.049 | 0.029 | 82.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 172 | ASP | -1 | -0.784 | -0.890 | 84.194 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 173 | TRP | 0 | -0.011 | -0.021 | 81.188 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 174 | TYR | 0 | -0.045 | -0.050 | 80.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 175 | ARG | 1 | 0.901 | 0.949 | 77.571 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 176 | GLU | -1 | -0.866 | -0.924 | 74.312 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 177 | ALA | 0 | 0.037 | 0.022 | 75.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 178 | LEU | 0 | 0.056 | 0.016 | 74.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 179 | PHE | 0 | 0.001 | 0.000 | 69.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 180 | VAL | 0 | -0.047 | -0.018 | 71.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 181 | ILE | 0 | 0.018 | 0.015 | 70.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 182 | LEU | 0 | -0.003 | -0.011 | 69.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 183 | ARG | 1 | 0.787 | 0.884 | 66.712 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 184 | PHE | 0 | -0.019 | 0.004 | 66.001 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 185 | LEU | 0 | 0.008 | -0.002 | 66.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 186 | ILE | 0 | -0.018 | -0.011 | 62.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 187 | ASN | 0 | -0.004 | 0.001 | 61.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 188 | HIS | 0 | -0.088 | -0.043 | 62.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 189 | PRO | 0 | -0.018 | 0.013 | 58.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 190 | LYS | 1 | 0.829 | 0.888 | 60.651 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 191 | PRO | 0 | 0.015 | -0.003 | 56.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 192 | GLY | 0 | -0.039 | -0.017 | 55.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 193 | HIS | 0 | -0.008 | -0.008 | 54.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 194 | GLY | 0 | 0.004 | 0.010 | 51.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 195 | TYR | 0 | -0.027 | -0.048 | 51.076 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 196 | LYS | 1 | 0.822 | 0.912 | 49.485 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 197 | PHE | 0 | 0.011 | -0.002 | 54.736 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 198 | PHE | 0 | 0.003 | 0.009 | 54.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 199 | THR | 0 | -0.005 | -0.009 | 59.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 200 | ASN | 0 | 0.062 | 0.033 | 60.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 201 | PRO | 0 | 0.035 | -0.011 | 63.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 202 | GLU | -1 | -0.793 | -0.858 | 63.833 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 203 | TRP | 0 | -0.068 | -0.018 | 56.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 204 | THR | 0 | -0.024 | -0.012 | 63.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 205 | ARG | 1 | 0.847 | 0.885 | 66.612 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 206 | PRO | 0 | -0.007 | 0.015 | 69.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 207 | ILE | 0 | 0.017 | 0.011 | 68.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 208 | THR | 0 | -0.008 | -0.036 | 72.092 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 209 | GLY | 0 | 0.043 | 0.010 | 73.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 210 | ALA | 0 | -0.001 | 0.000 | 73.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 211 | GLU | -1 | -0.763 | -0.857 | 69.713 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 212 | GLU | -1 | -0.810 | -0.877 | 68.802 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 213 | GLY | 0 | 0.051 | 0.027 | 68.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 214 | LEU | 0 | -0.002 | 0.007 | 67.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 215 | TYR | 0 | -0.057 | -0.040 | 64.548 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 216 | ALA | 0 | 0.026 | 0.013 | 63.877 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 217 | PHE | 0 | -0.003 | 0.000 | 64.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 218 | LEU | 0 | 0.003 | -0.001 | 60.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 219 | ALA | 0 | -0.022 | -0.012 | 59.914 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 220 | LEU | 0 | 0.025 | 0.014 | 59.455 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 221 | ASN | 0 | 0.008 | 0.009 | 59.864 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 222 | HIS | 0 | 0.020 | 0.023 | 51.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 223 | LEU | 0 | -0.024 | -0.019 | 55.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 224 | SER | 0 | -0.060 | -0.036 | 56.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 225 | GLY | 0 | -0.002 | -0.006 | 53.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 226 | ARG | 1 | 0.853 | 0.933 | 54.813 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 227 | LEU | 0 | -0.025 | -0.014 | 56.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 228 | GLY | 0 | 0.041 | 0.030 | 52.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 229 | GLU | -1 | -0.831 | -0.892 | 48.881 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 230 | ASP | -1 | -0.929 | -0.953 | 48.454 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 231 | PRO | 0 | -0.039 | -0.038 | 51.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 232 | ALA | 0 | -0.014 | 0.005 | 54.021 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 233 | ARG | 1 | 0.825 | 0.878 | 55.437 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 234 | CYS | 0 | -0.061 | -0.018 | 55.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 235 | TYR | 0 | 0.006 | 0.007 | 57.482 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 236 | VAL | 0 | -0.011 | -0.020 | 60.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 237 | ASP | -1 | -0.779 | -0.890 | 62.713 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 238 | GLU | -1 | -0.883 | -0.920 | 66.484 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 239 | TYR | 0 | -0.090 | -0.063 | 68.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 240 | GLY | 0 | -0.041 | -0.007 | 65.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 241 | MET | 0 | -0.083 | -0.037 | 64.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 242 | LYS | 1 | 0.946 | 0.964 | 58.591 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 243 | GLN | 0 | 0.002 | -0.004 | 61.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 245 | ARG | 1 | 0.823 | 0.880 | 59.393 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 246 | ASN | 0 | 0.074 | 0.023 | 56.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 247 | ASP | -1 | -0.818 | -0.858 | 59.970 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 248 | LEU | 0 | -0.009 | -0.011 | 60.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 249 | VAL | 0 | -0.030 | -0.016 | 62.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 250 | GLY | 0 | 0.036 | 0.010 | 64.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 251 | VAL | 0 | -0.037 | -0.027 | 66.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 252 | VAL | 0 | 0.039 | 0.020 | 68.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 253 | GLU | -1 | -0.869 | -0.922 | 68.681 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 254 | VAL | 0 | 0.004 | 0.009 | 71.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 255 | GLY | 0 | 0.046 | 0.017 | 73.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 256 | GLY | 0 | -0.042 | -0.031 | 74.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 257 | ALA | 0 | -0.018 | -0.023 | 77.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 258 | SER | 0 | 0.001 | 0.001 | 75.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 259 | THR | 0 | -0.010 | -0.007 | 75.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 260 | GLN | 0 | -0.032 | -0.029 | 71.668 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 261 | ILE | 0 | -0.029 | -0.019 | 72.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 262 | VAL | 0 | -0.008 | 0.008 | 68.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 263 | PHE | 0 | -0.014 | -0.008 | 69.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 264 | PRO | 0 | 0.041 | 0.023 | 66.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 265 | LEU | 0 | -0.001 | 0.006 | 69.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 266 | GLN | 0 | 0.013 | 0.016 | 70.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 267 | ASP | -1 | -0.854 | -0.920 | 69.352 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 268 | GLY | 0 | -0.016 | 0.003 | 72.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 269 | THR | 0 | -0.018 | -0.015 | 75.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 270 | ALA | 0 | 0.000 | -0.003 | 77.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 271 | LEU | 0 | 0.015 | 0.016 | 76.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 272 | PRO | 0 | 0.016 | 0.005 | 81.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 273 | SER | 0 | 0.009 | 0.003 | 83.760 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 274 | SER | 0 | -0.061 | -0.037 | 84.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 275 | ILE | 0 | -0.024 | 0.011 | 80.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 276 | ARG | 1 | 0.775 | 0.871 | 73.970 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 277 | ALA | 0 | 0.034 | 0.029 | 73.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 278 | VAL | 0 | -0.033 | -0.011 | 70.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 279 | ASN | 0 | 0.017 | -0.006 | 67.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 280 | LEU | 0 | 0.007 | -0.009 | 64.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 281 | GLN | 0 | 0.007 | 0.012 | 61.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 282 | HIS | 0 | -0.089 | -0.048 | 64.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 283 | GLU | -1 | -0.869 | -0.929 | 67.926 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 284 | ARG | 1 | 0.791 | 0.855 | 61.143 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 285 | PHE | 0 | 0.011 | -0.001 | 64.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 286 | LEU | 0 | -0.010 | -0.008 | 58.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 287 | PRO | 0 | -0.019 | -0.007 | 56.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 288 | SER | 0 | 0.011 | -0.025 | 59.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 289 | ARG | 1 | 0.710 | 0.829 | 52.262 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 290 | PHE | 0 | 0.021 | 0.024 | 53.891 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 291 | PRO | 0 | -0.007 | -0.014 | 57.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 292 | SER | 0 | -0.053 | -0.032 | 60.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 293 | ALA | 0 | 0.025 | 0.011 | 63.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 294 | ASP | -1 | -0.815 | -0.870 | 65.289 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 295 | VAL | 0 | -0.017 | -0.009 | 67.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 296 | ILE | 0 | 0.016 | 0.018 | 70.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 297 | SER | 0 | -0.014 | -0.032 | 71.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 298 | VAL | 0 | 0.015 | 0.007 | 73.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 299 | SER | 0 | 0.000 | -0.016 | 75.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 300 | PHE | 0 | 0.027 | 0.026 | 77.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 301 | MET | 0 | 0.036 | 0.013 | 80.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 302 | GLN | 0 | 0.034 | 0.009 | 82.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 303 | LEU | 0 | 0.021 | 0.006 | 80.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 304 | GLY | 0 | 0.041 | 0.056 | 79.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 305 | VAL | 0 | -0.022 | -0.001 | 77.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 306 | ALA | 0 | -0.014 | -0.007 | 80.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 307 | SER | 0 | 0.004 | -0.023 | 82.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 308 | SER | 0 | -0.009 | -0.014 | 82.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 309 | SER | 0 | -0.024 | -0.032 | 85.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 310 | GLY | 0 | 0.008 | 0.007 | 86.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 311 | LEU | 0 | 0.016 | -0.004 | 87.280 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 312 | PHE | 0 | 0.024 | 0.011 | 88.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 313 | PHE | 0 | -0.009 | -0.011 | 90.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 314 | LYS | 1 | 0.808 | 0.901 | 92.921 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 315 | GLU | -1 | -0.796 | -0.877 | 93.657 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 316 | LEU | 0 | -0.001 | 0.010 | 93.738 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 317 | CYS | 0 | -0.058 | -0.034 | 96.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 318 | SER | 0 | -0.026 | -0.031 | 98.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 319 | ASN | 0 | 0.008 | 0.013 | 98.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 320 | ALA | 0 | 0.015 | -0.011 | 101.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 321 | GLU | -1 | -0.945 | -0.954 | 100.843 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 322 | PHE | 0 | 0.033 | 0.010 | 96.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 323 | ARG | 1 | 0.773 | 0.898 | 100.610 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 324 | HIS | 0 | 0.011 | 0.001 | 102.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 325 | GLN | 0 | -0.057 | -0.045 | 104.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 326 | GLY | 0 | 0.050 | 0.048 | 105.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 327 | ILE | 0 | -0.060 | -0.036 | 100.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 329 | TYR | 0 | -0.011 | -0.005 | 97.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 330 | ASN | 0 | 0.082 | 0.020 | 90.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 331 | PRO | 0 | 0.006 | 0.003 | 92.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 332 | CYS | 0 | -0.146 | -0.047 | 87.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 333 | ILE | 0 | -0.002 | 0.004 | 87.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 334 | PHE | 0 | 0.044 | 0.023 | 83.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 335 | ARG | 1 | 0.842 | 0.919 | 89.379 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 336 | GLY | 0 | 0.034 | 0.016 | 92.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 337 | PHE | 0 | 0.004 | 0.007 | 88.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 338 | ARG | 1 | 0.916 | 0.946 | 92.382 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 339 | GLN | 0 | 0.028 | 0.016 | 91.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 340 | ALA | 0 | 0.076 | 0.042 | 94.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 341 | CYS | 0 | -0.091 | -0.024 | 95.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 342 | SER | 0 | 0.015 | 0.007 | 94.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 343 | ALA | 0 | 0.054 | 0.035 | 90.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 344 | GLY | 0 | 0.039 | 0.028 | 89.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 345 | ASP | -1 | -0.862 | -0.933 | 84.481 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 346 | VAL | 0 | -0.025 | 0.002 | 86.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 347 | GLU | -1 | -0.950 | -0.981 | 85.237 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 348 | ILE | 0 | -0.035 | -0.027 | 85.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 349 | LEU | 0 | 0.030 | 0.023 | 85.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 350 | PRO | 0 | -0.036 | -0.027 | 84.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 351 | ASP | -1 | -0.830 | -0.890 | 86.175 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 352 | GLY | 0 | 0.011 | -0.012 | 89.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 353 | THR | 0 | -0.046 | -0.038 | 89.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 354 | ILE | 0 | -0.052 | -0.013 | 90.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 355 | VAL | 0 | -0.002 | -0.001 | 90.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 356 | VAL | 0 | -0.040 | -0.028 | 90.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 357 | ASP | -1 | -0.786 | -0.876 | 88.528 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 358 | GLU | -1 | -0.947 | -0.988 | 90.998 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 359 | ASP | -1 | -0.861 | -0.911 | 88.095 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 360 | VAL | 0 | 0.026 | 0.000 | 90.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 361 | ARG | 1 | 0.694 | 0.798 | 86.040 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 362 | LYS | 1 | 0.737 | 0.859 | 84.292 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 363 | ASN | 0 | 0.113 | 0.048 | 86.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 364 | LYS | 1 | 0.786 | 0.873 | 84.173 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 365 | LEU | 0 | -0.012 | 0.005 | 86.779 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 366 | LYS | 1 | 0.809 | 0.926 | 86.108 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 367 | PRO | 0 | 0.008 | 0.006 | 83.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 368 | VAL | 0 | 0.056 | 0.024 | 85.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 369 | ALA | 0 | 0.012 | 0.006 | 88.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 370 | THR | 0 | -0.039 | -0.029 | 87.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 371 | TYR | 0 | 0.026 | 0.017 | 86.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 372 | CYS | 0 | -0.022 | -0.007 | 88.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 373 | SER | 0 | 0.015 | -0.022 | 92.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 374 | ALA | 0 | 0.027 | 0.015 | 93.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 375 | ASN | 0 | -0.051 | -0.005 | 92.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 376 | ASN | 0 | -0.003 | -0.003 | 88.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 377 | PRO | 0 | 0.023 | 0.013 | 88.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 378 | GLU | -1 | -0.913 | -0.962 | 86.668 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 379 | ILE | 0 | -0.053 | -0.020 | 90.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 380 | SER | 0 | -0.004 | -0.012 | 93.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 381 | PHE | 0 | -0.036 | 0.000 | 89.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 382 | LYS | 1 | 0.925 | 0.965 | 90.518 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 383 | ALA | 0 | 0.083 | 0.034 | 95.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 384 | MET | 0 | -0.010 | -0.003 | 95.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 385 | ASN | 0 | 0.014 | -0.019 | 91.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 386 | GLU | -1 | -0.814 | -0.883 | 93.995 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 387 | ILE | 0 | -0.018 | -0.012 | 96.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 388 | GLN | 0 | -0.042 | -0.021 | 90.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 390 | ARG | 1 | 0.808 | 0.882 | 94.329 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 391 | VAL | 0 | -0.037 | -0.014 | 96.773 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 392 | ASN | 0 | -0.081 | -0.037 | 92.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 393 | LYS | 1 | 0.835 | 0.894 | 95.179 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 394 | ILE | 0 | -0.047 | -0.015 | 92.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 395 | ASP | -1 | -0.790 | -0.886 | 95.749 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 396 | PRO | 0 | -0.008 | -0.004 | 95.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 397 | THR | 0 | -0.081 | -0.052 | 97.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 398 | LYS | 1 | 0.856 | 0.938 | 100.587 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 399 | SER | 0 | -0.021 | -0.042 | 99.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 400 | LEU | 0 | 0.072 | 0.016 | 92.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 401 | ALA | 0 | 0.054 | 0.016 | 96.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 402 | GLU | -1 | -0.821 | -0.872 | 97.987 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 403 | ARG | 1 | 0.797 | 0.896 | 94.171 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 404 | LEU | 0 | -0.017 | 0.001 | 91.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 405 | ARG | 1 | 0.831 | 0.904 | 94.933 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 406 | ILE | 0 | -0.005 | -0.001 | 97.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 407 | ASP | -1 | -0.798 | -0.873 | 99.984 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 408 | ASP | -1 | -0.857 | -0.929 | 103.577 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 410 | PHE | 0 | 0.015 | 0.014 | 102.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 411 | GLN | 0 | -0.012 | -0.021 | 98.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 412 | ILE | 0 | 0.018 | 0.018 | 93.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 413 | VAL | 0 | -0.042 | -0.023 | 95.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 414 | GLY | 0 | 0.006 | 0.021 | 92.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 415 | THR | 0 | -0.031 | -0.038 | 92.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 416 | GLY | 0 | 0.000 | -0.006 | 90.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 417 | ASP | -1 | -0.840 | -0.880 | 90.473 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 418 | PHE | 0 | 0.047 | -0.004 | 84.050 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 419 | ASP | -1 | -0.799 | -0.875 | 88.950 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 420 | THR | 0 | -0.015 | -0.040 | 90.788 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 422 | GLN | 0 | 0.045 | 0.013 | 85.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 423 | ALA | 0 | -0.013 | 0.004 | 88.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 424 | GLN | 0 | 0.005 | -0.002 | 91.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 425 | VAL | 0 | -0.009 | -0.018 | 85.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 426 | GLU | -1 | -0.745 | -0.818 | 86.076 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 427 | GLU | -1 | -0.916 | -0.954 | 88.291 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 428 | LEU | 0 | -0.025 | -0.019 | 90.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 429 | LEU | 0 | -0.074 | -0.034 | 85.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 430 | VAL | 0 | -0.041 | -0.008 | 83.211 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 431 | SER | 0 | -0.060 | -0.053 | 85.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 432 | PRO | 0 | 0.049 | 0.053 | 87.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 433 | ARG | 1 | 0.901 | 0.934 | 91.031 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 434 | PHE | 0 | -0.033 | -0.028 | 93.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 435 | PRO | 0 | 0.061 | 0.063 | 87.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 436 | LEU | 0 | -0.012 | -0.002 | 85.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 437 | PRO | 0 | -0.014 | -0.019 | 87.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 438 | ALA | 0 | 0.017 | 0.028 | 82.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 439 | ASN | 0 | -0.067 | -0.037 | 78.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 440 | ILE | 0 | 0.001 | 0.007 | 80.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 441 | GLU | -1 | -0.781 | -0.875 | 75.375 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 442 | ALA | 0 | 0.061 | 0.031 | 72.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 443 | ALA | 0 | 0.047 | 0.037 | 71.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 444 | SER | 0 | -0.062 | -0.017 | 73.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 445 | SER | 0 | 0.028 | -0.007 | 76.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 446 | GLY | 0 | -0.012 | -0.005 | 77.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 447 | PHE | 0 | -0.006 | -0.004 | 79.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 448 | GLU | -1 | -0.853 | -0.942 | 82.452 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 449 | SER | 0 | -0.039 | -0.045 | 83.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 450 | VAL | 0 | 0.011 | 0.008 | 79.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 451 | GLY | 0 | 0.004 | 0.012 | 82.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 452 | GLN | 0 | -0.016 | -0.012 | 84.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 453 | VAL | 0 | -0.006 | 0.004 | 77.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 454 | PHE | 0 | 0.043 | 0.001 | 75.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 455 | LYS | 1 | 0.954 | 0.996 | 80.338 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 456 | PHE | 0 | -0.054 | -0.041 | 82.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 457 | ALA | 0 | 0.006 | 0.008 | 77.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 458 | SER | 0 | -0.023 | 0.013 | 76.713 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 459 | THR | 0 | -0.001 | -0.007 | 71.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 460 | ALA | 0 | 0.043 | 0.018 | 71.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 461 | SER | 0 | -0.021 | -0.014 | 67.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 462 | PRO | 0 | -0.031 | -0.006 | 64.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 463 | MET | 0 | 0.000 | 0.021 | 67.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 464 | VAL | 0 | -0.038 | -0.019 | 64.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 465 | ILE | 0 | 0.006 | 0.005 | 68.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 466 | THR | 0 | -0.002 | -0.020 | 66.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 467 | GLY | 0 | 0.102 | 0.046 | 69.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 468 | GLY | 0 | -0.043 | -0.033 | 71.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 469 | ALA | 0 | 0.044 | 0.017 | 72.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 470 | MET | 0 | -0.002 | 0.025 | 72.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 471 | TYR | 0 | 0.013 | 0.012 | 65.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 472 | ALA | 0 | 0.000 | -0.003 | 71.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 473 | SER | 0 | -0.001 | 0.002 | 72.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 474 | ILE | 0 | 0.052 | 0.033 | 72.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 475 | SER | 0 | 0.008 | 0.014 | 69.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 476 | THR | 0 | -0.031 | -0.043 | 71.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 477 | MET | 0 | 0.005 | 0.012 | 74.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 478 | GLN | 0 | -0.035 | -0.016 | 69.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 479 | GLY | 0 | -0.044 | -0.017 | 71.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 480 | LEU | 0 | -0.016 | -0.019 | 72.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 481 | GLY | 0 | -0.034 | -0.005 | 74.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 482 | LEU | 0 | -0.035 | -0.010 | 75.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 483 | LEU | 0 | -0.002 | 0.012 | 74.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 484 | PRO | 0 | 0.023 | 0.029 | 72.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 485 | LYS | 1 | 0.881 | 0.907 | 67.486 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 486 | ASP | -1 | -0.896 | -0.939 | 67.331 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 487 | PHE | 0 | -0.039 | -0.008 | 68.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 488 | GLN | 0 | -0.022 | -0.026 | 68.331 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 489 | GLY | 0 | 0.011 | -0.007 | 71.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 490 | ASP | -1 | -0.835 | -0.901 | 74.524 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 491 | LEU | 0 | 0.060 | 0.014 | 77.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 492 | GLU | -1 | -0.923 | -0.943 | 80.689 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 493 | GLN | 0 | -0.056 | -0.053 | 75.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 494 | LEU | 0 | 0.012 | 0.010 | 77.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 495 | ILE | 0 | 0.035 | 0.032 | 79.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 496 | ALA | 0 | -0.012 | 0.004 | 82.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 497 | ALA | 0 | 0.028 | 0.019 | 79.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 498 | SER | 0 | -0.010 | -0.040 | 81.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 499 | ARG | 1 | 0.861 | 0.911 | 83.413 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 500 | THR | 0 | -0.050 | -0.008 | 83.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 501 | TYR | 0 | -0.016 | -0.029 | 80.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 502 | CYS | 0 | -0.004 | -0.007 | 81.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 503 | SER | 0 | -0.010 | 0.005 | 86.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 504 | SER | 0 | 0.001 | 0.001 | 85.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 505 | PRO | 0 | -0.053 | -0.020 | 87.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 506 | VAL | 0 | -0.010 | -0.008 | 87.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 507 | VAL | 0 | -0.025 | -0.018 | 89.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 508 | ASN | 0 | 0.019 | -0.001 | 89.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 509 | ASN | 0 | -0.031 | -0.026 | 85.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 510 | GLY | 0 | -0.014 | 0.000 | 89.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 511 | ASP | -1 | -0.867 | -0.913 | 84.444 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 512 | GLY | 0 | 0.052 | 0.036 | 85.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 513 | LEU | 0 | -0.044 | -0.025 | 86.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 514 | VAL | 0 | -0.018 | -0.010 | 83.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 515 | ILE | 0 | 0.007 | 0.007 | 82.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 516 | GLN | 0 | -0.040 | -0.033 | 84.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 517 | LEU | 0 | -0.016 | -0.012 | 80.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 518 | PRO | 0 | -0.015 | -0.024 | 83.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 519 | ASN | 0 | -0.077 | -0.045 | 78.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 520 | ALA | 0 | -0.011 | 0.004 | 78.518 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 521 | GLU | -1 | -0.802 | -0.885 | 80.209 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 522 | GLN | 0 | 0.010 | 0.019 | 77.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 523 | LYS | 1 | 0.828 | 0.916 | 79.889 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 524 | LEU | 0 | -0.010 | 0.003 | 81.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 525 | THR | 0 | -0.002 | -0.016 | 79.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 526 | SER | 0 | 0.052 | 0.017 | 82.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 527 | MET | 0 | -0.052 | -0.029 | 77.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 528 | ASN | 0 | -0.024 | -0.010 | 79.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 529 | TYR | 0 | 0.033 | 0.020 | 81.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 530 | ASP | -1 | -0.779 | -0.871 | 83.976 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 531 | LEU | 0 | 0.005 | 0.012 | 77.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 533 | LYS | 1 | 0.904 | 0.964 | 83.552 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 534 | THR | 0 | -0.024 | -0.027 | 79.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 535 | ILE | 0 | -0.002 | 0.008 | 79.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 536 | ALA | 0 | 0.035 | 0.016 | 81.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 537 | LEU | 0 | 0.000 | 0.008 | 78.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 538 | THR | 0 | -0.023 | -0.026 | 76.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 539 | VAL | 0 | -0.002 | 0.004 | 79.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 540 | SER | 0 | 0.005 | -0.031 | 81.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 541 | LEU | 0 | -0.041 | -0.018 | 76.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 542 | LEU | 0 | -0.007 | -0.008 | 75.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 543 | GLN | 0 | -0.028 | -0.019 | 78.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 544 | HIS | 0 | -0.053 | -0.049 | 81.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 545 | MET | 0 | -0.070 | -0.031 | 74.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 546 | GLU | -1 | -0.854 | -0.910 | 77.994 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 547 | ALA | 0 | -0.042 | -0.013 | 79.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 548 | GLY | 0 | 0.004 | 0.015 | 80.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 549 | GLU | -1 | -0.950 | -0.965 | 80.188 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 550 | HIS | 0 | -0.062 | -0.031 | 75.202 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 551 | LYS | 1 | 0.866 | 0.907 | 75.509 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 552 | PRO | 0 | -0.007 | 0.004 | 71.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 553 | SER | 0 | -0.028 | -0.028 | 68.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 554 | SER | 0 | -0.041 | -0.023 | 66.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 555 | ILE | 0 | 0.031 | 0.020 | 69.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 556 | SER | 0 | -0.008 | 0.008 | 66.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 557 | TRP | 0 | 0.057 | 0.030 | 68.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 558 | GLN | 0 | -0.028 | -0.026 | 62.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 559 | LYS | 1 | 0.824 | 0.895 | 63.133 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 560 | THR | 0 | -0.046 | -0.043 | 58.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 561 | VAL | 0 | 0.026 | 0.025 | 56.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 562 | VAL | 0 | -0.021 | -0.006 | 53.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 563 | GLY | 0 | 0.047 | 0.029 | 50.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 564 | PRO | 0 | 0.010 | -0.019 | 46.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 565 | ASP | -1 | -0.864 | -0.919 | 46.366 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 566 | GLY | 0 | -0.012 | 0.007 | 47.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 567 | LYS | 1 | 0.850 | 0.913 | 47.521 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 568 | PRO | 0 | 0.006 | -0.008 | 52.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 569 | ARG | 1 | 0.833 | 0.929 | 51.374 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 570 | ALA | 0 | 0.000 | -0.012 | 53.956 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 571 | ASP | -1 | -0.768 | -0.848 | 57.459 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 572 | LEU | 0 | -0.026 | -0.013 | 60.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 573 | GLY | 0 | 0.066 | 0.032 | 63.069 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 574 | TRP | 0 | -0.021 | -0.028 | 63.813 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 575 | HIS | 0 | -0.059 | -0.037 | 61.728 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 576 | VAL | 0 | 0.059 | 0.015 | 57.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 577 | GLY | 0 | 0.030 | 0.030 | 59.176 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 578 | ALA | 0 | 0.019 | 0.013 | 61.425 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 579 | ILE | 0 | -0.025 | -0.013 | 55.541 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 580 | LEU | 0 | -0.016 | -0.008 | 55.163 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 581 | HIS | 0 | 0.003 | 0.023 | 57.741 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 582 | ARG | 1 | 0.775 | 0.860 | 58.621 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 583 | VAL | 0 | -0.001 | -0.004 | 52.445 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 584 | LEU | 0 | 0.007 | 0.010 | 53.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 585 | PHE | 0 | 0.053 | 0.029 | 54.615 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 586 | THR | 0 | 0.012 | -0.005 | 50.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 587 | GLU | -1 | -0.833 | -0.898 | 52.038 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 588 | GLU | -1 | -0.822 | -0.868 | 53.297 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 589 | TRP | 0 | 0.001 | 0.009 | 51.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 590 | GLY | 0 | 0.022 | 0.005 | 51.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 591 | ARG | 1 | 0.855 | 0.915 | 51.940 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 592 | THR | 0 | -0.016 | -0.025 | 54.631 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 593 | ALA | 0 | -0.017 | -0.016 | 52.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 594 | TYR | 0 | -0.060 | -0.066 | 49.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 595 | GLU | -1 | -0.960 | -0.961 | 51.117 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 596 | THR | 0 | -0.010 | -0.005 | 52.708 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 597 | GLY | 0 | 0.005 | 0.012 | 53.837 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 598 | PHE | 0 | 0.041 | 0.000 | 49.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 599 | THR | 0 | -0.027 | -0.030 | 52.146 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 600 | TYR | 0 | -0.032 | -0.010 | 55.202 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 601 | ASN | 0 | -0.022 | -0.012 | 58.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 602 | MET | 0 | -0.082 | -0.014 | 53.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |