FMODB ID: N22KQ
Calculation Name: 4Z32-A-Xray372
Preferred Name: Tyrosine-protein kinase JAK2
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 4Z32
Chain ID: A
ChEMBL ID: CHEMBL2971
UniProt ID: O60674
Base Structure: X-ray
Registration Date: 2023-09-27
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 445 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8473329.154515 |
---|---|
FMO2-HF: Nuclear repulsion | 8290301.754968 |
FMO2-HF: Total energy | -183027.399546 |
FMO2-MP2: Total energy | -183556.480564 |
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:37:PRO)
Summations of interaction energy for
fragment #1(A:37:PRO)
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. |
-19.768 | -9.026 | 8.837 | -8.162 | -11.415 | -0.052 |
Interaction energy analysis for fragmet #1(A:37:PRO)
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 | 39 | LEU | 0 | 0.040 | 0.026 | 3.829 | -2.490 | 0.301 | -0.034 | -1.552 | -1.205 | 0.004 |
4 | A | 40 | GLN | 0 | -0.046 | -0.018 | 7.175 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 41 | VAL | 0 | 0.008 | -0.013 | 9.879 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 42 | TYR | 0 | -0.018 | -0.006 | 13.419 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 43 | LEU | 0 | 0.006 | -0.003 | 16.329 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 44 | TYR | 0 | 0.025 | 0.002 | 19.559 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 45 | HIS | 0 | -0.085 | -0.055 | 22.643 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 46 | SER | 0 | 0.029 | 0.024 | 21.271 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 47 | LEU | 0 | -0.001 | -0.017 | 23.336 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 48 | GLY | 0 | -0.033 | -0.009 | 23.305 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 49 | LYS | 1 | 0.929 | 0.948 | 17.975 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 50 | SER | 0 | -0.068 | -0.017 | 24.457 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 51 | GLU | -1 | -0.932 | -0.967 | 24.213 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 52 | ALA | 0 | -0.046 | -0.020 | 21.443 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 53 | ASP | -1 | -0.831 | -0.902 | 17.850 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 54 | TYR | 0 | -0.058 | -0.048 | 13.152 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 55 | LEU | 0 | -0.023 | 0.002 | 13.837 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 56 | THR | 0 | 0.005 | -0.008 | 7.698 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 57 | PHE | 0 | -0.001 | 0.004 | 8.410 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 58 | PRO | 0 | 0.040 | 0.020 | 4.911 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 59 | SER | 0 | -0.022 | -0.009 | 2.448 | -1.231 | -0.253 | 0.493 | -0.357 | -1.113 | -0.001 |
24 | A | 60 | GLY | 0 | 0.036 | 0.014 | 3.801 | 0.238 | 0.480 | 0.011 | -0.066 | -0.186 | 0.000 |
25 | A | 61 | GLU | -1 | -0.906 | -0.952 | 6.909 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 62 | TYR | 0 | -0.041 | -0.033 | 6.517 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 63 | VAL | 0 | 0.007 | 0.011 | 11.597 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 64 | ALA | 0 | 0.000 | -0.017 | 15.071 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 65 | GLU | -1 | -0.831 | -0.927 | 16.294 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 66 | GLU | -1 | -0.830 | -0.919 | 13.738 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 67 | ILE | 0 | 0.013 | 0.013 | 11.329 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 68 | CYS | 0 | -0.069 | -0.040 | 15.431 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 69 | ILE | 0 | -0.016 | -0.004 | 18.995 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 70 | ALA | 0 | -0.010 | 0.002 | 16.189 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 71 | ALA | 0 | 0.043 | 0.015 | 17.747 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 72 | SER | 0 | -0.033 | -0.015 | 19.201 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 73 | LYS | 1 | 0.881 | 0.940 | 20.881 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 74 | ALA | 0 | 0.007 | 0.024 | 19.748 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 75 | CYS | 0 | -0.064 | -0.037 | 21.610 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 76 | GLY | 0 | 0.018 | 0.018 | 24.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 77 | ILE | 0 | -0.073 | -0.027 | 25.499 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 78 | THR | 0 | 0.055 | 0.013 | 26.579 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 79 | PRO | 0 | -0.012 | -0.018 | 27.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 80 | VAL | 0 | -0.056 | -0.025 | 28.732 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 81 | TYR | 0 | -0.025 | -0.018 | 30.142 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 82 | HIS | 0 | -0.013 | -0.004 | 21.861 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 83 | ASN | 0 | 0.048 | 0.014 | 25.834 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 84 | MET | 0 | -0.009 | 0.013 | 27.733 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 85 | PHE | 0 | -0.048 | -0.030 | 23.211 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 86 | ALA | 0 | 0.010 | 0.015 | 21.640 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 87 | LEU | 0 | 0.021 | 0.017 | 15.012 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 88 | MET | 0 | -0.042 | -0.006 | 18.009 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 89 | SER | 0 | 0.061 | 0.028 | 14.735 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 90 | GLU | -1 | -0.853 | -0.923 | 13.891 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 91 | THR | 0 | -0.039 | -0.024 | 13.917 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 92 | GLU | -1 | -0.924 | -0.968 | 16.173 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 93 | ARG | 1 | 0.808 | 0.894 | 18.265 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 94 | ILE | 0 | 0.012 | 0.010 | 18.878 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 95 | TRP | 0 | -0.039 | -0.020 | 18.793 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 96 | TYR | 0 | -0.021 | -0.034 | 12.971 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 97 | PRO | 0 | -0.014 | 0.008 | 19.098 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 98 | PRO | 0 | 0.006 | -0.017 | 19.585 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 99 | ASN | 0 | -0.008 | -0.026 | 19.618 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 100 | HIS | 0 | -0.021 | -0.006 | 13.350 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 101 | VAL | 0 | 0.028 | 0.023 | 12.361 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 102 | PHE | 0 | -0.081 | -0.045 | 9.314 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 103 | HIS | 0 | 0.064 | 0.031 | 8.265 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 104 | ILE | 0 | -0.077 | -0.013 | 2.140 | -0.488 | -0.529 | 1.814 | -0.486 | -1.287 | 0.000 |
69 | A | 105 | ASP | -1 | -0.770 | -0.887 | 3.940 | -2.190 | -1.828 | 0.013 | -0.177 | -0.198 | -0.001 |
70 | A | 106 | GLU | -1 | -0.902 | -0.972 | 2.517 | -5.844 | -4.085 | 1.219 | -1.261 | -1.717 | -0.016 |
71 | A | 107 | SER | 0 | -0.053 | -0.023 | 2.485 | -5.781 | -2.986 | 1.701 | -1.777 | -2.719 | -0.018 |
72 | A | 108 | THR | 0 | -0.074 | -0.028 | 2.947 | 1.791 | 2.835 | 0.197 | -0.312 | -0.929 | -0.002 |
73 | A | 109 | ARG | 1 | 0.975 | 0.994 | 2.333 | -2.950 | -2.217 | 3.424 | -2.158 | -1.998 | -0.018 |
74 | A | 110 | HIS | 0 | -0.016 | 0.012 | 4.370 | -0.379 | -0.300 | -0.001 | -0.016 | -0.063 | 0.000 |
75 | A | 111 | ASN | 0 | -0.006 | -0.008 | 7.432 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 112 | VAL | 0 | 0.010 | -0.004 | 10.572 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 113 | LEU | 0 | -0.019 | -0.002 | 13.443 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 114 | TYR | 0 | 0.071 | 0.049 | 17.031 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 115 | ARG | 1 | 0.828 | 0.901 | 19.161 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 116 | ILE | 0 | -0.002 | 0.000 | 22.643 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 117 | ARG | 1 | 0.728 | 0.843 | 24.414 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 118 | PHE | 0 | -0.053 | -0.008 | 26.325 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 119 | TYR | 0 | -0.046 | -0.057 | 30.184 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 120 | PHE | 0 | 0.044 | 0.006 | 32.933 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 121 | PRO | 0 | -0.001 | 0.001 | 36.702 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 122 | ARG | 0 | -0.034 | -0.028 | 38.799 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 123 | TRP | 0 | 0.003 | 0.008 | 36.596 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 124 | TYR | 0 | -0.085 | -0.058 | 39.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 125 | CYS | 0 | -0.074 | -0.023 | 42.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 126 | SER | 0 | 0.018 | 0.004 | 45.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 127 | GLY | 0 | 0.077 | 0.036 | 47.469 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 128 | SER | 0 | -0.015 | -0.024 | 45.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 129 | ASN | 0 | 0.055 | 0.022 | 46.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 130 | ARG | 1 | 0.879 | 0.978 | 44.860 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 131 | ALA | 0 | 0.028 | 0.011 | 40.376 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 132 | TYR | 0 | -0.007 | 0.009 | 41.446 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 133 | ARG | 1 | 0.844 | 0.937 | 33.033 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 134 | HIS | 0 | 0.044 | 0.024 | 40.544 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 135 | GLY | 0 | -0.026 | -0.030 | 42.919 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 136 | ILE | 0 | 0.018 | 0.004 | 43.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 137 | SER | 0 | -0.073 | -0.022 | 46.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 138 | ARG | 1 | 0.903 | 0.921 | 46.851 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 139 | GLY | 0 | -0.022 | 0.003 | 50.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 140 | ALA | 0 | -0.002 | -0.003 | 48.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 141 | GLU | -1 | -0.895 | -0.939 | 45.810 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 142 | ALA | 0 | -0.022 | -0.013 | 41.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 143 | PRO | 0 | 0.016 | 0.011 | 39.470 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 144 | LEU | 0 | 0.034 | 0.003 | 35.569 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 145 | LEU | 0 | 0.004 | 0.006 | 32.872 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 146 | ASP | -1 | -0.812 | -0.908 | 32.689 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 147 | ASP | -1 | -0.804 | -0.898 | 34.957 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 148 | PHE | 0 | 0.019 | 0.009 | 29.477 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 149 | VAL | 0 | 0.027 | 0.014 | 29.462 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 150 | MET | 0 | -0.020 | 0.032 | 30.239 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 151 | SER | 0 | -0.049 | -0.038 | 30.437 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 152 | TYR | 0 | 0.017 | -0.008 | 21.359 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 153 | LEU | 0 | 0.012 | 0.010 | 27.464 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 154 | PHE | 0 | -0.045 | -0.029 | 29.744 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 155 | ALA | 0 | -0.004 | 0.004 | 26.438 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 156 | GLN | 0 | 0.036 | 0.033 | 24.455 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 157 | TRP | 0 | -0.006 | -0.019 | 26.330 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 158 | ARG | 1 | 0.887 | 0.935 | 29.229 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 159 | HIS | 0 | -0.027 | -0.007 | 22.312 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 160 | ASP | -1 | -0.742 | -0.862 | 24.638 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 161 | PHE | 0 | 0.042 | 0.026 | 27.302 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 162 | VAL | 0 | -0.032 | -0.013 | 29.991 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 163 | HIS | 0 | -0.016 | -0.019 | 25.547 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 164 | GLY | 0 | -0.010 | 0.006 | 27.435 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 165 | TRP | 0 | 0.003 | 0.009 | 20.604 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 166 | ILE | 0 | 0.009 | 0.021 | 26.657 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 167 | LYS | 1 | 0.864 | 0.930 | 28.857 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 168 | VAL | 0 | 0.075 | 0.034 | 32.710 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 169 | PRO | 0 | 0.044 | 0.030 | 36.330 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 170 | VAL | 0 | 0.029 | 0.022 | 38.606 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 171 | THR | 0 | 0.021 | 0.005 | 41.046 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 172 | HIS | 0 | 0.042 | -0.010 | 44.283 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 173 | GLU | -1 | -0.842 | -0.916 | 46.611 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 174 | THR | 0 | 0.026 | -0.003 | 40.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 175 | GLN | 0 | -0.012 | 0.013 | 42.006 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 176 | GLU | -1 | -0.775 | -0.862 | 43.396 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 177 | GLU | -1 | -0.810 | -0.871 | 41.801 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 178 | CYS | 0 | -0.054 | -0.039 | 39.073 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 179 | LEU | 0 | -0.066 | -0.031 | 40.275 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 180 | GLY | 0 | 0.062 | 0.033 | 42.936 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 181 | MET | 0 | 0.000 | 0.008 | 35.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 182 | ALA | 0 | 0.017 | 0.003 | 38.604 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 183 | VAL | 0 | -0.044 | -0.015 | 39.645 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 184 | LEU | 0 | 0.009 | -0.001 | 40.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 185 | ASP | -1 | -0.751 | -0.872 | 34.584 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 186 | MET | 0 | -0.046 | 0.008 | 37.339 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 187 | MET | 0 | -0.040 | -0.027 | 39.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 188 | ARG | 1 | 0.766 | 0.850 | 32.267 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 189 | ILE | 0 | -0.007 | 0.006 | 34.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 190 | ALA | 0 | -0.020 | -0.009 | 37.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 191 | LYS | 1 | 0.821 | 0.905 | 39.979 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 192 | GLU | -1 | -0.746 | -0.842 | 33.722 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 193 | ASN | 0 | -0.018 | 0.006 | 34.034 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 194 | ASP | -1 | -0.858 | -0.934 | 37.861 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 195 | GLN | 0 | -0.033 | 0.003 | 39.540 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 196 | THR | 0 | -0.026 | -0.023 | 42.940 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 197 | PRO | 0 | 0.010 | -0.022 | 43.642 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 198 | LEU | 0 | -0.019 | -0.011 | 44.337 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 199 | ALA | 0 | 0.043 | 0.035 | 44.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 200 | ILE | 0 | 0.079 | 0.046 | 38.435 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 201 | TYR | 0 | -0.042 | -0.046 | 41.144 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 202 | ASN | 0 | -0.071 | -0.049 | 43.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 203 | SER | 0 | 0.000 | 0.017 | 39.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 204 | ILE | 0 | -0.006 | -0.002 | 35.934 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 205 | SER | 0 | -0.018 | 0.008 | 38.907 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 206 | TYR | 0 | 0.082 | 0.021 | 38.578 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 207 | LYS | 1 | 0.851 | 0.916 | 38.692 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 208 | THR | 0 | -0.020 | -0.016 | 33.151 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 209 | PHE | 0 | 0.008 | 0.003 | 33.683 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 210 | LEU | 0 | -0.028 | 0.002 | 35.625 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 211 | PRO | 0 | 0.048 | 0.036 | 33.185 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 212 | LYS | 1 | 0.873 | 0.915 | 26.830 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 213 | CYS | 0 | -0.002 | 0.015 | 33.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 214 | ILE | 0 | 0.080 | 0.030 | 36.420 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 215 | ARG | 1 | 0.926 | 0.962 | 33.995 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 216 | ALA | 0 | -0.007 | -0.002 | 37.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 217 | LYS | 1 | 0.903 | 0.967 | 39.375 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 218 | ILE | 0 | -0.043 | -0.024 | 41.869 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 219 | GLN | 0 | -0.018 | -0.024 | 39.372 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 220 | ASP | -1 | -0.843 | -0.902 | 43.158 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 221 | TYR | 0 | -0.101 | -0.047 | 45.283 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 222 | HIS | 0 | 0.124 | 0.053 | 48.405 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 223 | ILE | 0 | 0.034 | 0.005 | 50.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 224 | LEU | 0 | 0.040 | -0.001 | 51.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 225 | THR | 0 | -0.011 | -0.002 | 50.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 226 | ARG | 1 | 0.904 | 0.962 | 45.612 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 227 | LYS | 1 | 0.935 | 0.970 | 48.496 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 228 | ARG | 1 | 0.977 | 0.988 | 50.962 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 229 | ILE | 0 | 0.016 | 0.020 | 45.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 230 | ARG | 1 | 0.970 | 0.993 | 46.064 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 231 | TYR | 0 | 0.041 | 0.013 | 48.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 232 | ARG | 1 | 0.815 | 0.867 | 48.771 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 233 | PHE | 0 | -0.004 | -0.001 | 42.023 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 234 | ARG | 1 | 0.905 | 0.948 | 47.734 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 235 | ARG | 1 | 0.923 | 0.964 | 49.183 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 236 | PHE | 0 | 0.039 | 0.028 | 47.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 237 | ILE | 0 | 0.008 | 0.002 | 43.912 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 238 | GLN | 0 | 0.023 | 0.007 | 47.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 239 | GLN | 0 | -0.010 | 0.017 | 51.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 240 | PHE | 0 | 0.005 | 0.004 | 47.972 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 241 | SER | 0 | -0.019 | -0.017 | 48.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 242 | GLN | 0 | 0.027 | 0.018 | 49.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 243 | CYS | 0 | -0.071 | -0.020 | 47.394 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 244 | LYS | 1 | 1.048 | 0.997 | 48.159 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 245 | ALA | 0 | -0.043 | 0.002 | 44.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 246 | THR | 0 | 0.094 | 0.029 | 41.575 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 247 | ALA | 0 | 0.087 | 0.030 | 37.198 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 248 | ARG | 1 | 0.856 | 0.887 | 35.673 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 249 | ASN | 0 | 0.035 | 0.032 | 38.482 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 250 | LEU | 0 | -0.013 | -0.003 | 39.787 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 251 | LYS | 1 | 0.882 | 0.944 | 32.185 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 252 | LEU | 0 | 0.022 | 0.014 | 36.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 253 | LYS | 1 | 0.933 | 0.959 | 38.911 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 254 | TYR | 0 | 0.001 | 0.003 | 33.776 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 255 | LEU | 0 | 0.031 | 0.009 | 32.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 256 | ILE | 0 | 0.007 | 0.015 | 36.717 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 257 | ASN | 0 | -0.072 | -0.049 | 40.176 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 258 | LEU | 0 | 0.004 | 0.002 | 32.810 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 259 | GLU | -1 | -0.778 | -0.846 | 36.933 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 260 | THR | 0 | -0.039 | -0.031 | 37.862 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 261 | LEU | 0 | -0.045 | 0.006 | 37.870 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 262 | GLN | 0 | -0.043 | -0.055 | 34.843 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 263 | SER | 0 | 0.081 | 0.044 | 36.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 264 | ALA | 0 | -0.029 | -0.021 | 32.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 265 | PHE | 0 | -0.008 | -0.012 | 30.107 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 266 | TYR | 0 | -0.064 | -0.032 | 31.038 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 267 | THR | 0 | -0.068 | -0.014 | 32.638 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 268 | GLU | -1 | -0.749 | -0.850 | 27.361 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 269 | LYS | 1 | 0.914 | 0.951 | 30.930 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 270 | PHE | 0 | 0.046 | 0.022 | 27.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 271 | GLU | -1 | -0.840 | -0.895 | 31.495 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 272 | VAL | 0 | -0.011 | 0.024 | 32.532 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 285 | PHE | 0 | 0.029 | -0.003 | 38.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 286 | ALA | 0 | -0.066 | -0.045 | 38.426 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 287 | THR | 0 | 0.013 | 0.027 | 35.065 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 288 | ILE | 0 | -0.005 | -0.022 | 34.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 289 | ILE | 0 | -0.044 | -0.034 | 34.492 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 290 | ILE | 0 | -0.003 | 0.009 | 32.008 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 291 | THR | 0 | -0.021 | -0.016 | 33.888 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 292 | GLY | 0 | 0.090 | 0.049 | 35.723 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 293 | ASN | 0 | -0.028 | -0.047 | 36.458 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 294 | GLY | 0 | 0.006 | 0.010 | 39.829 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 295 | GLY | 0 | 0.012 | 0.023 | 38.274 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 296 | ILE | 0 | 0.023 | 0.005 | 36.338 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 297 | GLN | 0 | -0.003 | -0.009 | 38.503 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 298 | TRP | 0 | 0.008 | 0.001 | 38.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 299 | SER | 0 | 0.021 | 0.008 | 40.663 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 300 | ARG | 1 | 0.962 | 0.985 | 40.815 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 301 | GLY | 0 | -0.038 | -0.021 | 37.477 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 314 | LEU | 0 | -0.044 | -0.028 | 41.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 315 | GLN | 0 | 0.006 | 0.008 | 44.423 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 316 | LEU | 0 | 0.012 | 0.007 | 42.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 317 | TYR | 0 | -0.008 | -0.002 | 40.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 318 | CYS | 0 | -0.083 | -0.053 | 40.739 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 319 | ASP | -1 | -0.741 | -0.826 | 40.994 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 320 | PHE | 0 | 0.033 | 0.004 | 34.746 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 321 | PRO | 0 | -0.013 | -0.020 | 38.892 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 322 | ASN | 0 | -0.047 | -0.015 | 41.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 323 | ILE | 0 | 0.000 | 0.004 | 37.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 324 | ILE | 0 | -0.039 | -0.011 | 39.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 325 | ASP | -1 | -0.920 | -0.972 | 35.872 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 326 | VAL | 0 | -0.022 | -0.015 | 32.633 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 327 | SER | 0 | -0.012 | 0.001 | 32.651 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 328 | ILE | 0 | 0.017 | 0.001 | 27.338 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 329 | LYS | 1 | 0.958 | 0.992 | 30.863 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 339 | SER | 0 | -0.005 | 0.002 | 28.254 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 340 | ARG | 1 | 0.889 | 0.942 | 25.178 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 341 | VAL | 0 | 0.070 | 0.044 | 30.219 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 342 | VAL | 0 | -0.035 | -0.023 | 30.501 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 343 | THR | 0 | 0.006 | 0.003 | 33.525 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 344 | ILE | 0 | -0.037 | -0.015 | 35.554 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 345 | HIS | 0 | 0.035 | 0.014 | 37.959 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 346 | LYS | 1 | 0.841 | 0.915 | 40.922 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 347 | GLN | 0 | -0.014 | -0.026 | 43.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 348 | ASP | -1 | -0.864 | -0.915 | 45.840 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 349 | GLY | 0 | 0.054 | 0.034 | 46.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 350 | LYS | 1 | 0.882 | 0.953 | 46.364 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 351 | ASN | 0 | 0.047 | 0.012 | 41.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 352 | LEU | 0 | -0.046 | -0.015 | 38.830 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 353 | GLU | -1 | -0.935 | -0.969 | 38.501 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 354 | ILE | 0 | -0.028 | -0.015 | 33.521 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 355 | GLU | -1 | -0.919 | -0.954 | 33.404 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 356 | LEU | 0 | -0.017 | -0.007 | 28.877 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 357 | SER | 0 | 0.007 | -0.035 | 27.087 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 358 | SER | 0 | 0.019 | 0.001 | 23.686 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 359 | LEU | 0 | 0.047 | 0.011 | 20.459 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 360 | ARG | 1 | 0.986 | 0.996 | 16.510 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 361 | GLU | -1 | -0.808 | -0.874 | 21.791 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 362 | ALA | 0 | 0.020 | 0.004 | 24.889 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 363 | LEU | 0 | 0.042 | 0.009 | 21.604 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 364 | SER | 0 | 0.018 | 0.033 | 22.983 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 365 | PHE | 0 | 0.048 | 0.012 | 24.521 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 366 | VAL | 0 | 0.038 | 0.010 | 28.038 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 367 | SER | 0 | -0.009 | -0.025 | 24.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 368 | LEU | 0 | -0.054 | -0.001 | 26.948 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 369 | ILE | 0 | 0.018 | -0.002 | 28.982 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 370 | ASP | -1 | -0.778 | -0.875 | 28.946 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 371 | GLY | 0 | 0.025 | 0.003 | 29.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 372 | TYR | 0 | 0.038 | 0.012 | 30.007 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 373 | TYR | 0 | -0.020 | 0.017 | 33.331 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 374 | ARG | 1 | 0.775 | 0.872 | 28.833 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 375 | LEU | 0 | -0.019 | -0.009 | 31.217 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 376 | THR | 0 | -0.058 | -0.046 | 35.074 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 377 | ALA | 0 | -0.050 | -0.012 | 37.867 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 378 | ASP | -1 | -0.842 | -0.944 | 37.578 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 379 | ALA | 0 | 0.010 | 0.003 | 34.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 380 | HIS | 0 | -0.036 | -0.032 | 33.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 381 | HIS | 0 | 0.045 | 0.048 | 33.940 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 382 | TYR | 0 | -0.025 | -0.017 | 30.345 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 383 | LEU | 0 | 0.007 | 0.012 | 32.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 384 | CYS | 0 | 0.019 | 0.021 | 29.344 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 385 | LYS | 1 | 0.981 | 0.977 | 28.560 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 386 | GLU | -1 | -0.889 | -0.954 | 25.360 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 387 | VAL | 0 | -0.032 | -0.001 | 23.839 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 388 | ALA | 0 | -0.023 | 0.000 | 24.649 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 389 | PRO | 0 | -0.007 | -0.005 | 23.549 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 390 | PRO | 0 | 0.048 | 0.023 | 20.304 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 391 | ALA | 0 | 0.048 | 0.028 | 23.488 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 392 | VAL | 0 | -0.060 | -0.031 | 25.680 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 393 | LEU | 0 | 0.004 | -0.005 | 25.574 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 394 | GLU | -1 | -0.827 | -0.880 | 25.197 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 395 | ASN | 0 | -0.019 | -0.030 | 28.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 396 | ILE | 0 | -0.022 | -0.003 | 31.207 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 397 | GLN | 0 | -0.012 | 0.000 | 30.008 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 398 | SER | 0 | -0.041 | -0.019 | 31.886 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 399 | ASN | 0 | -0.060 | -0.033 | 34.517 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 400 | CYS | 0 | -0.013 | 0.013 | 32.849 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 401 | HIS | 0 | 0.019 | 0.006 | 34.407 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 402 | GLY | 0 | 0.091 | 0.033 | 32.209 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 403 | PRO | 0 | -0.007 | 0.014 | 30.499 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 404 | ILE | 0 | -0.019 | -0.016 | 33.443 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 405 | SER | 0 | 0.007 | -0.014 | 37.211 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 406 | MET | 0 | 0.018 | -0.005 | 39.563 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 407 | ASP | -1 | -0.839 | -0.908 | 41.917 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 408 | PHE | 0 | -0.024 | -0.014 | 41.678 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 409 | ALA | 0 | -0.007 | -0.003 | 41.105 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 410 | ILE | 0 | 0.046 | 0.029 | 43.015 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 411 | SER | 0 | -0.052 | -0.030 | 46.453 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 412 | LYS | 1 | 0.826 | 0.909 | 41.396 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 413 | LEU | 0 | 0.027 | 0.026 | 45.650 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 414 | LYS | 1 | 0.953 | 0.986 | 48.451 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 415 | LYS | 1 | 0.886 | 0.948 | 46.915 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 416 | ALA | 0 | -0.037 | -0.011 | 48.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 417 | GLY | 0 | 0.019 | 0.017 | 51.091 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 418 | ASN | 0 | -0.005 | -0.005 | 51.723 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 419 | GLN | 0 | 0.053 | 0.036 | 51.598 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 420 | THR | 0 | 0.079 | 0.033 | 50.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 421 | GLY | 0 | 0.053 | 0.022 | 49.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 422 | LEU | 0 | -0.086 | -0.035 | 47.076 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 423 | TYR | 0 | 0.014 | -0.013 | 40.008 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 424 | VAL | 0 | -0.050 | -0.030 | 40.091 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 425 | LEU | 0 | 0.036 | 0.028 | 34.723 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 426 | ARG | 1 | 0.874 | 0.943 | 35.446 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 427 | CYS | 0 | 0.052 | 0.053 | 30.525 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 428 | SER | 0 | 0.013 | 0.002 | 31.202 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 429 | PRO | 0 | -0.024 | -0.021 | 31.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 430 | LYS | 1 | 0.932 | 0.966 | 32.027 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 431 | ASP | -1 | -0.831 | -0.914 | 28.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 432 | PHE | 0 | 0.060 | 0.009 | 24.285 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 433 | ASN | 0 | 0.023 | 0.034 | 22.018 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 434 | LYS | 1 | 0.863 | 0.923 | 26.207 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 435 | TYR | 0 | 0.040 | 0.020 | 27.203 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 436 | PHE | 0 | -0.069 | -0.039 | 32.769 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 437 | LEU | 0 | 0.035 | 0.021 | 36.580 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 438 | THR | 0 | -0.064 | -0.021 | 39.465 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 439 | PHE | 0 | 0.076 | 0.022 | 42.503 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 440 | ALA | 0 | -0.022 | -0.016 | 46.066 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 441 | VAL | 0 | -0.011 | -0.012 | 49.729 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 442 | GLU | -1 | -0.914 | -0.955 | 52.196 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 443 | ARG | 1 | 0.860 | 0.901 | 52.402 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 444 | GLU | -1 | -0.908 | -0.956 | 57.635 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 445 | ASN | 0 | -0.024 | -0.016 | 60.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 446 | VAL | 0 | -0.022 | 0.010 | 55.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 447 | ILE | 0 | 0.010 | 0.005 | 53.130 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 448 | GLU | -1 | -0.845 | -0.897 | 50.419 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 449 | TYR | 0 | -0.027 | -0.046 | 46.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 450 | LYS | 1 | 0.837 | 0.923 | 45.682 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 451 | HIS | 0 | 0.037 | -0.003 | 40.368 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 452 | CYS | 0 | 0.004 | 0.018 | 39.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 453 | LEU | 0 | 0.011 | 0.006 | 33.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 454 | ILE | 0 | 0.017 | 0.007 | 31.433 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 455 | THR | 0 | 0.011 | -0.006 | 29.262 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 456 | LYS | 1 | 0.853 | 0.937 | 23.099 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 457 | ASN | 0 | -0.022 | -0.022 | 24.673 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 458 | GLU | -1 | -0.915 | -0.957 | 17.142 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 459 | ASN | 0 | -0.017 | -0.015 | 19.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 460 | GLU | -1 | -0.901 | -0.951 | 19.590 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 461 | GLU | -1 | -0.927 | -0.937 | 22.880 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 462 | TYR | 0 | -0.058 | -0.071 | 26.171 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 463 | ASN | 0 | -0.035 | -0.042 | 29.166 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 464 | LEU | 0 | -0.030 | 0.005 | 32.099 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 465 | SER | 0 | 0.026 | 0.001 | 35.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 466 | GLY | 0 | 0.025 | 0.014 | 36.705 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 467 | THR | 0 | -0.086 | -0.036 | 37.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 468 | LYS | 1 | 1.008 | 0.985 | 35.699 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 469 | LYS | 1 | 0.845 | 0.937 | 34.520 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 470 | ASN | 0 | 0.004 | 0.011 | 29.649 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 471 | PHE | 0 | -0.024 | -0.020 | 30.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 472 | SER | 0 | 0.076 | 0.047 | 27.235 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 473 | SER | 0 | -0.011 | -0.036 | 26.854 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 474 | LEU | 0 | 0.033 | 0.001 | 29.292 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 475 | LYS | 1 | 0.948 | 0.973 | 31.901 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 476 | ASP | -1 | -0.809 | -0.871 | 31.259 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 477 | LEU | 0 | -0.043 | -0.006 | 33.199 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 478 | LEU | 0 | -0.013 | -0.026 | 35.318 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 479 | ASN | 0 | -0.037 | -0.025 | 37.684 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 480 | CYS | 0 | -0.033 | 0.005 | 38.142 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 481 | TYR | 0 | 0.037 | -0.001 | 37.047 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 482 | GLN | 0 | 0.040 | 0.041 | 41.231 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 483 | MET | 0 | -0.075 | -0.043 | 43.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 484 | GLU | -1 | -0.854 | -0.908 | 43.237 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 485 | THR | 0 | -0.061 | -0.035 | 46.371 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 486 | VAL | 0 | 0.001 | 0.002 | 41.719 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 487 | ARG | 1 | 0.942 | 0.968 | 44.960 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 488 | SER | 0 | 0.010 | -0.001 | 44.391 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 489 | ASP | -1 | -0.841 | -0.912 | 46.037 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 490 | ASN | 0 | -0.030 | -0.023 | 48.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 491 | ILE | 0 | -0.032 | 0.002 | 49.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 492 | ILE | 0 | -0.007 | -0.014 | 48.949 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 493 | PHE | 0 | 0.013 | 0.007 | 46.988 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 494 | GLN | 0 | 0.037 | 0.025 | 47.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 495 | PHE | 0 | -0.027 | -0.007 | 41.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 496 | THR | 0 | 0.014 | 0.008 | 45.298 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 497 | LYS | 1 | 0.887 | 0.946 | 45.344 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 498 | CYS | 0 | 0.051 | 0.034 | 40.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 499 | CYS | 0 | -0.061 | -0.021 | 42.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 500 | PRO | 0 | 0.010 | 0.005 | 40.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 501 | PRO | 0 | -0.025 | -0.019 | 36.779 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 502 | LYS | 1 | 0.918 | 0.968 | 39.920 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 503 | PRO | 0 | 0.101 | 0.048 | 40.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 504 | LYS | 1 | 0.906 | 0.947 | 41.136 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 505 | ASP | -1 | -0.921 | -0.940 | 42.577 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 506 | LYS | 1 | 0.975 | 0.985 | 41.720 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 507 | SER | 0 | 0.004 | -0.009 | 39.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 508 | ASN | 0 | 0.029 | 0.020 | 36.760 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 509 | LEU | 0 | 0.019 | 0.003 | 33.408 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 510 | LEU | 0 | -0.037 | 0.003 | 35.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 511 | VAL | 0 | -0.013 | -0.016 | 36.626 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 512 | PHE | 0 | -0.051 | -0.009 | 39.598 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 513 | ARG | 1 | 0.817 | 0.860 | 39.656 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 514 | THR | 0 | -0.025 | -0.027 | 43.823 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |