
FMODB ID: 399QL
Calculation Name: 4DJK-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4DJK
Chain ID: A
UniProt ID: P63235
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 454 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8425768.778509 |
---|---|
FMO2-HF: Nuclear repulsion | 8254884.273558 |
FMO2-HF: Total energy | -170884.504951 |
FMO2-MP2: Total energy | -171385.239066 |
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:GLN)
Summations of interaction energy for
fragment #1(A:12:GLN)
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. |
-1.982 | -9.788 | 23.961 | -8.302 | -7.853 | -0.014 |
Interaction energy analysis for fragmet #1(A:12:GLN)
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 | 0.023 | 0.001 | 3.829 | -0.423 | 1.515 | -0.019 | -0.841 | -1.078 | 0.005 |
4 | A | 15 | LEU | 0 | 0.087 | 0.065 | 5.676 | -0.576 | -0.576 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 16 | LEU | 0 | -0.010 | -0.018 | 9.090 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 17 | GLY | 0 | 0.027 | 0.006 | 8.273 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 18 | PHE | 0 | 0.082 | 0.010 | 8.816 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 19 | PHE | 0 | -0.019 | 0.014 | 10.212 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 20 | ALA | 0 | 0.007 | 0.013 | 12.401 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 21 | ILE | 0 | 0.006 | 0.012 | 10.012 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 22 | THR | 0 | -0.004 | 0.002 | 12.941 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 23 | ALA | 0 | 0.030 | 0.025 | 15.426 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 24 | SER | 0 | -0.093 | -0.032 | 17.635 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 25 | MET | 0 | 0.001 | -0.002 | 18.514 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 26 | VAL | 0 | -0.016 | 0.017 | 20.254 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 27 | MET | 0 | -0.063 | -0.018 | 22.918 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 28 | ALA | 0 | 0.063 | 0.030 | 26.167 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 29 | VAL | 0 | 0.037 | 0.005 | 28.825 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 30 | TYR | 0 | -0.027 | -0.023 | 29.653 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 31 | GLU | -1 | -0.857 | -0.939 | 30.649 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 32 | TYR | 0 | -0.051 | -0.007 | 29.514 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 33 | PRO | 0 | -0.004 | 0.014 | 34.873 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 34 | THR | 0 | -0.001 | -0.007 | 36.731 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 35 | PHE | 0 | 0.022 | -0.001 | 30.732 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 36 | ALA | 0 | 0.067 | 0.032 | 36.599 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 37 | THR | 0 | -0.037 | 0.006 | 39.573 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 38 | SER | 0 | -0.011 | 0.034 | 38.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 39 | GLY | 0 | 0.042 | 0.033 | 40.673 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 40 | PHE | 0 | 0.020 | -0.026 | 37.399 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 41 | SER | 0 | -0.037 | -0.028 | 38.036 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 42 | LEU | 0 | -0.017 | -0.013 | 34.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 43 | VAL | 0 | 0.017 | 0.001 | 32.395 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 44 | PHE | 0 | -0.023 | -0.035 | 32.414 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 45 | PHE | 0 | 0.009 | 0.002 | 32.657 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 46 | LEU | 0 | 0.012 | 0.039 | 28.919 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 47 | LEU | 0 | 0.004 | 0.018 | 28.222 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 48 | LEU | 0 | -0.023 | 0.002 | 28.488 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 49 | GLY | 0 | 0.026 | 0.005 | 28.559 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 50 | GLY | 0 | 0.046 | 0.026 | 24.753 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 51 | ILE | 0 | 0.012 | -0.021 | 24.011 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 52 | LEU | 0 | -0.019 | -0.020 | 25.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 53 | TRP | 0 | 0.013 | 0.007 | 24.661 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 54 | PHE | 0 | -0.037 | -0.002 | 19.156 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 55 | ILE | 0 | -0.017 | -0.028 | 19.620 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 56 | PRO | 0 | -0.039 | -0.012 | 20.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 57 | VAL | 0 | 0.047 | 0.013 | 20.847 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 58 | GLY | 0 | -0.016 | -0.003 | 17.939 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 59 | LEU | 0 | -0.039 | -0.024 | 16.504 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 60 | CYS | 0 | -0.019 | -0.005 | 17.349 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 61 | ALA | 0 | 0.039 | 0.014 | 18.261 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 62 | ALA | 0 | -0.009 | 0.004 | 13.478 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 63 | GLU | -1 | -0.863 | -0.935 | 14.962 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 64 | MET | 0 | -0.044 | -0.016 | 16.135 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 65 | ALA | 0 | -0.042 | -0.004 | 14.169 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 66 | THR | 0 | -0.139 | -0.101 | 11.529 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 67 | VAL | 0 | 0.065 | 0.074 | 13.509 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 68 | ASP | -1 | -0.924 | -0.903 | 15.473 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 69 | GLY | 0 | 0.035 | -0.022 | 16.920 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 70 | TRP | 0 | 0.014 | 0.032 | 12.733 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 71 | GLU | -1 | -0.840 | -0.889 | 13.982 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 72 | GLU | -1 | -0.884 | -0.960 | 15.134 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 73 | GLY | 0 | 0.072 | 0.051 | 18.133 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 74 | GLY | 0 | -0.054 | -0.015 | 18.439 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 75 | VAL | 0 | 0.102 | 0.034 | 19.395 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 76 | PHE | 0 | -0.068 | -0.020 | 21.949 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 77 | ALA | 0 | 0.000 | 0.004 | 19.960 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 78 | TRP | 0 | 0.019 | -0.014 | 16.589 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 79 | VAL | 0 | 0.015 | 0.043 | 22.022 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 80 | SER | 0 | -0.030 | -0.031 | 25.345 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 81 | ASN | 0 | -0.053 | -0.023 | 22.694 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 82 | THR | 0 | -0.012 | -0.001 | 24.632 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 83 | LEU | 0 | -0.050 | -0.017 | 27.035 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 84 | GLY | 0 | -0.006 | 0.016 | 29.451 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 85 | PRO | 0 | -0.002 | 0.020 | 29.620 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 86 | ARG | 1 | 0.970 | 0.974 | 30.822 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 87 | TRP | 0 | 0.031 | 0.009 | 31.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 88 | GLY | 0 | 0.106 | 0.029 | 27.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 89 | PHE | 0 | -0.017 | -0.027 | 28.310 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 90 | ALA | 0 | 0.020 | 0.007 | 29.939 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 91 | ALA | 0 | 0.043 | 0.014 | 27.187 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 92 | ILE | 0 | -0.034 | -0.028 | 24.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 93 | SER | 0 | 0.022 | -0.007 | 27.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 94 | PHE | 0 | 0.000 | 0.005 | 30.469 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 95 | GLY | 0 | 0.017 | 0.014 | 26.668 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 96 | TYR | 0 | -0.026 | -0.011 | 26.699 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 97 | LEU | 0 | 0.017 | -0.007 | 29.182 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 98 | GLN | 0 | 0.001 | -0.013 | 27.747 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 99 | ILE | 0 | -0.036 | -0.003 | 27.385 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 100 | ALA | 0 | -0.050 | -0.025 | 30.743 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 101 | ILE | 0 | 0.051 | 0.046 | 33.722 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 102 | GLY | 0 | 0.002 | 0.014 | 32.042 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 103 | PHE | 0 | 0.031 | -0.020 | 31.347 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 104 | ILE | 0 | -0.040 | -0.015 | 34.192 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 105 | PRO | 0 | 0.046 | 0.031 | 34.492 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 106 | MET | 0 | -0.011 | 0.010 | 31.068 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 107 | LEU | 0 | 0.035 | 0.010 | 35.562 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 108 | TYR | 0 | -0.044 | -0.061 | 38.536 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 109 | PHE | 0 | 0.061 | 0.023 | 35.682 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 110 | VAL | 0 | -0.065 | -0.022 | 37.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 111 | LEU | 0 | -0.046 | -0.030 | 39.318 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 112 | GLY | 0 | 0.056 | 0.032 | 41.843 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 113 | ALA | 0 | 0.011 | -0.019 | 39.590 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 114 | LEU | 0 | -0.029 | -0.032 | 41.709 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 115 | SER | 0 | -0.027 | 0.012 | 44.129 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 116 | TYR | 0 | -0.047 | -0.020 | 44.483 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 117 | ILE | 0 | 0.001 | 0.003 | 42.350 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 118 | LEU | 0 | -0.081 | -0.032 | 46.637 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 119 | LYS | 1 | 0.907 | 0.963 | 49.216 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 120 | TRP | 0 | 0.024 | -0.010 | 49.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 121 | PRO | 0 | 0.075 | 0.049 | 49.795 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 122 | ALA | 0 | 0.017 | -0.012 | 50.504 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 123 | LEU | 0 | -0.033 | 0.011 | 46.266 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 124 | ASN | 0 | -0.035 | -0.054 | 43.926 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 125 | GLU | -1 | -0.876 | -0.951 | 47.211 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 126 | ASP | -1 | -0.868 | -0.917 | 50.288 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 127 | PRO | 0 | 0.007 | 0.067 | 50.142 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 128 | ILE | 0 | 0.069 | 0.020 | 50.653 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 129 | THR | 0 | -0.092 | -0.098 | 50.169 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 130 | LYS | 1 | 0.912 | 0.971 | 44.314 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 131 | THR | 0 | 0.030 | 0.012 | 46.043 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 132 | ILE | 0 | -0.036 | -0.011 | 46.096 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 133 | ALA | 0 | 0.008 | 0.006 | 46.109 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 134 | ALA | 0 | 0.006 | 0.008 | 42.135 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 135 | LEU | 0 | 0.018 | -0.004 | 42.012 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 136 | ILE | 0 | -0.028 | -0.009 | 42.827 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 137 | ILE | 0 | 0.006 | 0.001 | 38.689 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 138 | LEU | 0 | 0.006 | 0.018 | 36.642 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 139 | TRP | 0 | 0.009 | -0.029 | 38.287 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 140 | ALA | 0 | -0.005 | 0.015 | 40.472 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 141 | LEU | 0 | 0.015 | -0.020 | 34.328 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 142 | ALA | 0 | 0.000 | 0.000 | 35.508 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 143 | LEU | 0 | -0.053 | -0.017 | 36.476 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 144 | THR | 0 | -0.054 | 0.007 | 35.073 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 145 | GLN | 0 | 0.036 | 0.035 | 30.093 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 146 | PHE | 0 | 0.000 | -0.001 | 32.929 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 147 | GLY | 0 | -0.014 | 0.010 | 34.710 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 148 | GLY | 0 | -0.044 | -0.033 | 31.221 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 149 | THR | 0 | -0.053 | -0.098 | 26.170 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 150 | LYS | 1 | 0.940 | 1.044 | 26.589 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 151 | TYR | 0 | -0.016 | -0.015 | 26.484 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 152 | THR | 0 | 0.020 | -0.016 | 26.352 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 153 | ALA | 0 | 0.066 | 0.043 | 21.867 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 154 | ARG | 1 | 0.972 | 0.979 | 23.751 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 155 | ILE | 0 | -0.005 | 0.007 | 24.964 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 156 | ALA | 0 | 0.092 | 0.020 | 25.376 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 157 | LYN | 0 | -0.046 | 0.022 | 18.663 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 158 | VAL | 0 | -0.030 | -0.026 | 24.445 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 159 | GLY | 0 | 0.034 | 0.018 | 27.529 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 160 | PHE | 0 | 0.049 | 0.008 | 23.376 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 161 | PHE | 0 | -0.055 | -0.031 | 22.276 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 162 | ALA | 0 | -0.017 | -0.008 | 27.443 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 163 | GLY | 0 | 0.034 | 0.000 | 31.201 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 164 | ILE | 0 | 0.043 | -0.014 | 27.407 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 165 | LEU | 0 | -0.043 | 0.002 | 24.103 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 166 | LEU | 0 | -0.006 | 0.002 | 28.575 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 167 | PRO | 0 | -0.022 | 0.013 | 31.722 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 168 | ALA | 0 | 0.079 | 0.041 | 30.600 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 169 | PHE | 0 | 0.000 | 0.001 | 30.319 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 170 | ILE | 0 | -0.032 | -0.013 | 32.215 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 171 | LEU | 0 | 0.045 | 0.011 | 35.497 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 172 | ILE | 0 | -0.057 | -0.022 | 30.646 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 173 | ALA | 0 | -0.022 | -0.012 | 34.754 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 174 | LEU | 0 | 0.005 | 0.009 | 36.187 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 175 | ALA | 0 | 0.054 | 0.011 | 38.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 176 | ALA | 0 | -0.046 | -0.018 | 36.613 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 177 | ILE | 0 | -0.046 | -0.030 | 38.765 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 178 | TYR | 0 | -0.027 | -0.011 | 41.616 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 179 | LEU | 0 | -0.043 | -0.003 | 40.329 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 180 | HIS | 0 | -0.063 | -0.019 | 42.772 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 193 | THR | 0 | -0.038 | -0.011 | 35.298 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 194 | PHE | 0 | 0.009 | 0.006 | 38.104 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 195 | PHE | 0 | -0.016 | -0.013 | 38.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 196 | PRO | 0 | 0.059 | 0.033 | 39.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 197 | ASP | -1 | -0.851 | -0.931 | 42.153 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 198 | PHE | 0 | -0.042 | -0.030 | 40.934 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 199 | SER | 0 | -0.008 | -0.005 | 46.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 200 | LYS | 1 | 0.906 | 0.953 | 48.588 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 201 | VAL | 0 | 0.061 | 0.029 | 47.767 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 202 | GLY | 0 | 0.100 | 0.026 | 45.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 203 | THR | 0 | -0.058 | -0.015 | 43.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 204 | LEU | 0 | -0.027 | -0.026 | 38.767 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 205 | VAL | 0 | 0.034 | 0.033 | 39.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 206 | VAL | 0 | 0.027 | 0.016 | 37.486 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 207 | PHE | 0 | -0.051 | -0.033 | 31.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 208 | VAL | 0 | 0.022 | 0.023 | 33.673 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 209 | ALA | 0 | 0.042 | 0.017 | 32.929 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 210 | PHE | 0 | 0.009 | 0.007 | 31.137 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 211 | ILE | 0 | 0.015 | -0.001 | 28.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 212 | LEU | 0 | -0.059 | -0.038 | 28.241 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 213 | SER | 0 | -0.058 | -0.017 | 27.187 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 214 | TYR | 0 | -0.047 | -0.037 | 23.288 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 215 | MET | 0 | -0.081 | -0.019 | 23.277 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 216 | GLY | 0 | 0.050 | 0.011 | 22.467 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 217 | VAL | 0 | -0.023 | -0.014 | 17.086 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 218 | GLU | -1 | -0.757 | -0.827 | 17.228 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 219 | ALA | 0 | 0.005 | 0.022 | 17.118 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 220 | SER | 0 | -0.117 | -0.098 | 14.005 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 221 | ALA | 0 | -0.004 | 0.031 | 13.259 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 222 | THR | 0 | 0.056 | -0.012 | 11.982 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 223 | HIS | 0 | -0.061 | -0.015 | 9.113 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 224 | VAL | 0 | -0.003 | -0.035 | 7.723 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 225 | ASN | 0 | 0.054 | 0.017 | 6.607 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 226 | GLU | -1 | -1.077 | -1.009 | 4.469 | -1.990 | -1.793 | -0.001 | -0.014 | -0.182 | 0.000 |
204 | A | 227 | MET | 0 | -0.038 | -0.005 | 3.067 | -3.420 | -2.598 | 0.123 | -0.532 | -0.413 | -0.003 |
205 | A | 228 | SER | 0 | 0.016 | 0.000 | 1.770 | 3.001 | -6.148 | 23.856 | -8.880 | -5.827 | -0.016 |
206 | A | 229 | ASN | 0 | -0.035 | -0.033 | 2.925 | 1.087 | -0.527 | 0.002 | 1.965 | -0.353 | 0.000 |
207 | A | 230 | PRO | 0 | 0.067 | 0.064 | 5.419 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 231 | GLY | 0 | 0.014 | 0.004 | 7.860 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 232 | ARG | 1 | 0.908 | 0.946 | 10.735 | -0.533 | -0.533 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 233 | ASP | -1 | -0.789 | -0.928 | 8.418 | 1.335 | 1.335 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 234 | TYR | 0 | 0.108 | 0.072 | 9.837 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 235 | PRO | 0 | -0.066 | -0.037 | 11.225 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 236 | LEU | 0 | -0.004 | 0.002 | 13.223 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 237 | ALA | 0 | 0.025 | 0.013 | 11.439 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 238 | MET | 0 | -0.021 | 0.003 | 13.576 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 239 | LEU | 0 | -0.007 | -0.004 | 16.353 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 240 | LEU | 0 | -0.011 | -0.008 | 15.568 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 241 | LEU | 0 | 0.019 | -0.032 | 15.157 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 242 | MET | 0 | -0.043 | 0.019 | 18.516 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 243 | VAL | 0 | 0.035 | 0.007 | 21.303 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 244 | ALA | 0 | -0.006 | -0.003 | 20.970 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 245 | ALA | 0 | 0.069 | 0.027 | 22.247 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 246 | ILE | 0 | 0.091 | 0.118 | 24.128 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 247 | CYS | 0 | -0.002 | 0.053 | 25.793 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 248 | LEU | 0 | -0.042 | -0.025 | 24.884 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 249 | SER | 0 | -0.094 | -0.126 | 27.344 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 250 | SER | 0 | -0.077 | -0.130 | 29.141 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 251 | VAL | 0 | 0.027 | 0.027 | 30.648 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 252 | GLY | 0 | -0.009 | -0.001 | 32.241 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 253 | GLY | 0 | 0.016 | 0.017 | 33.713 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 254 | LEU | 0 | 0.020 | -0.027 | 35.364 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 255 | SER | 0 | -0.060 | -0.028 | 36.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 256 | ILE | 0 | 0.012 | 0.004 | 37.331 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 257 | ALA | 0 | -0.020 | -0.027 | 39.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 258 | MET | 0 | -0.086 | -0.030 | 41.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 259 | VAL | 0 | -0.031 | -0.010 | 42.819 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 260 | ILE | 0 | -0.027 | -0.008 | 44.239 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 261 | PRO | 0 | -0.002 | 0.009 | 45.390 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 262 | GLY | 0 | 0.062 | 0.044 | 45.238 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 263 | ASN | 0 | -0.133 | -0.070 | 45.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 264 | GLU | -1 | -0.844 | -0.949 | 48.450 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 265 | ILE | 0 | -0.011 | 0.028 | 41.849 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 266 | ASN | 0 | 0.009 | -0.007 | 44.746 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 267 | LEU | 0 | -0.015 | -0.018 | 40.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 268 | SER | 0 | -0.011 | 0.000 | 39.777 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 269 | ALA | 0 | 0.003 | -0.009 | 40.346 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 270 | GLY | 0 | 0.074 | 0.063 | 40.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 271 | VAL | 0 | 0.040 | 0.002 | 36.476 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 272 | MET | 0 | -0.016 | 0.007 | 39.538 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 273 | GLN | 0 | 0.003 | 0.002 | 41.815 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 274 | THR | 0 | 0.072 | 0.032 | 40.092 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 275 | PHE | 0 | -0.047 | -0.020 | 37.216 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 276 | THR | 0 | -0.013 | -0.013 | 42.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 277 | VAL | 0 | 0.002 | -0.002 | 46.003 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 278 | LEU | 0 | -0.002 | 0.010 | 40.944 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 279 | MET | 0 | -0.083 | -0.031 | 43.004 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 280 | SER | 0 | -0.028 | -0.030 | 46.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 281 | HIS | 0 | -0.083 | -0.043 | 47.238 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 282 | VAL | 0 | 0.004 | 0.012 | 46.318 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 283 | ALA | 0 | 0.019 | -0.018 | 47.527 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 284 | PRO | 0 | 0.012 | 0.024 | 49.431 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 285 | GLU | -1 | -0.940 | -0.947 | 52.202 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 286 | ILE | 0 | 0.045 | -0.027 | 46.437 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 287 | GLU | -1 | -0.811 | -0.866 | 47.560 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 288 | TRP | 0 | -0.109 | -0.040 | 47.904 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 289 | THR | 0 | 0.000 | -0.014 | 42.985 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 290 | VAL | 0 | 0.058 | 0.035 | 43.229 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 291 | ARG | 1 | 0.968 | 0.986 | 43.164 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 292 | VAL | 0 | 0.023 | 0.008 | 41.055 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 293 | ILE | 0 | 0.009 | -0.017 | 38.109 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 294 | SER | 0 | 0.004 | -0.005 | 38.607 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 295 | ALA | 0 | -0.010 | -0.013 | 39.345 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 296 | LEU | 0 | -0.027 | -0.002 | 35.219 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 297 | LEU | 0 | 0.031 | 0.019 | 34.181 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 298 | LEU | 0 | -0.016 | -0.003 | 35.078 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 299 | LEU | 0 | -0.031 | -0.001 | 33.022 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 300 | GLY | 0 | 0.049 | 0.020 | 31.321 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 301 | VAL | 0 | 0.026 | 0.011 | 31.079 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 302 | LEU | 0 | -0.048 | -0.018 | 32.478 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 303 | ALA | 0 | -0.044 | -0.011 | 29.446 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 304 | GLU | -1 | -0.857 | -0.941 | 26.396 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 305 | ILE | 0 | 0.053 | 0.059 | 28.818 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 306 | ALA | 0 | 0.008 | -0.002 | 30.521 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 307 | SER | 0 | -0.103 | -0.095 | 25.574 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 308 | TRP | 0 | 0.004 | -0.024 | 26.298 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 309 | ILE | 0 | -0.073 | -0.021 | 28.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 310 | VAL | 0 | -0.036 | -0.037 | 26.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 311 | GLY | 0 | -0.015 | 0.009 | 24.685 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 312 | PRO | 0 | 0.117 | 0.054 | 24.663 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 313 | SER | 0 | -0.030 | -0.021 | 25.905 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 314 | ARG | 1 | 0.880 | 0.985 | 23.674 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 315 | GLY | 0 | 0.023 | 0.018 | 22.720 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 316 | MET | 0 | -0.041 | -0.001 | 23.594 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 317 | TYR | 0 | 0.032 | 0.012 | 25.944 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 318 | VAL | 0 | -0.001 | 0.002 | 22.923 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 319 | THR | 0 | -0.006 | -0.007 | 25.450 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 320 | ALA | 0 | 0.022 | 0.011 | 28.799 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 321 | GLN | 0 | -0.012 | -0.014 | 26.152 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 322 | LYS | 1 | 0.868 | 0.920 | 22.731 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 323 | ASN | 0 | -0.083 | -0.048 | 29.072 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 324 | LEU | 0 | 0.027 | 0.037 | 32.219 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 325 | LEU | 0 | -0.018 | -0.007 | 30.124 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 326 | PRO | 0 | -0.010 | 0.017 | 32.107 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 327 | ALA | 0 | 0.086 | 0.041 | 35.166 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 328 | ALA | 0 | -0.008 | -0.011 | 37.844 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 329 | PHE | 0 | -0.026 | 0.011 | 34.723 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 330 | ALA | 0 | -0.026 | -0.044 | 32.881 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 331 | LYS | 1 | 0.924 | 0.965 | 34.093 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 332 | MET | 0 | -0.029 | -0.007 | 26.471 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 333 | ASN | 0 | 0.040 | 0.055 | 32.261 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 334 | LYS | 1 | 0.927 | 0.965 | 31.156 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 335 | ASN | 0 | 0.035 | -0.017 | 29.773 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 336 | GLY | 0 | -0.076 | -0.044 | 27.573 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 337 | VAL | 0 | 0.098 | -0.017 | 28.564 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 338 | PRO | 0 | -0.002 | 0.028 | 28.197 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 339 | VAL | 0 | 0.055 | 0.019 | 31.286 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 340 | THR | 0 | 0.050 | 0.038 | 34.799 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 341 | LEU | 0 | 0.032 | 0.022 | 30.348 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 342 | VAL | 0 | 0.045 | 0.037 | 31.699 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 343 | ILE | 0 | 0.040 | 0.003 | 34.018 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 344 | SER | 0 | -0.056 | -0.026 | 36.953 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 345 | GLN | 0 | 0.077 | 0.045 | 31.213 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 346 | LEU | 0 | -0.010 | -0.018 | 35.586 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 347 | VAL | 0 | -0.002 | 0.010 | 38.166 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 348 | ILE | 0 | 0.015 | 0.013 | 36.371 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 349 | THR | 0 | -0.014 | -0.014 | 36.688 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 350 | SER | 0 | -0.040 | -0.034 | 38.708 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 351 | ILE | 0 | -0.029 | -0.011 | 42.031 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 352 | ALA | 0 | -0.007 | 0.003 | 40.112 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 353 | LEU | 0 | -0.022 | -0.004 | 40.763 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 354 | ILE | 0 | -0.018 | -0.015 | 43.107 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 355 | ILE | 0 | -0.020 | -0.015 | 45.825 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 356 | LEU | 0 | -0.004 | 0.012 | 41.529 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 357 | THR | 0 | -0.021 | 0.029 | 44.749 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 358 | ASN | 0 | -0.009 | -0.007 | 46.844 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 359 | THR | 0 | 0.019 | 0.000 | 49.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 360 | GLY | 0 | 0.013 | 0.008 | 49.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 361 | GLY | 0 | -0.012 | 0.013 | 50.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 362 | GLY | 0 | 0.079 | 0.004 | 49.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 363 | ASN | 0 | -0.027 | -0.005 | 46.440 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 364 | ASN | 0 | 0.087 | 0.046 | 44.873 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 365 | MET | 0 | -0.008 | 0.009 | 44.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 366 | SER | 0 | -0.028 | -0.024 | 44.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 367 | PHE | 0 | -0.028 | -0.019 | 36.757 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 368 | LEU | 0 | 0.018 | 0.010 | 39.074 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 369 | ILE | 0 | 0.049 | 0.016 | 39.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 370 | ALA | 0 | -0.019 | -0.008 | 39.193 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 371 | LEU | 0 | -0.014 | -0.007 | 34.708 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 372 | ALA | 0 | 0.036 | 0.014 | 35.535 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 373 | LEU | 0 | 0.020 | 0.002 | 36.608 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 374 | THR | 0 | -0.022 | -0.005 | 32.173 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 375 | VAL | 0 | -0.006 | -0.012 | 32.262 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 376 | VAL | 0 | 0.019 | 0.015 | 32.610 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 377 | ILE | 0 | 0.019 | 0.003 | 32.682 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 378 | TYR | 0 | -0.018 | -0.053 | 24.116 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 379 | LEU | 0 | -0.005 | 0.008 | 29.515 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 380 | CYS | 0 | -0.021 | 0.010 | 30.888 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 381 | ALA | 0 | -0.002 | -0.006 | 27.392 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 382 | TYR | 0 | -0.029 | -0.051 | 23.664 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 383 | PHE | 0 | -0.019 | 0.006 | 27.433 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 384 | MET | 0 | -0.041 | -0.022 | 28.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 385 | LEU | 0 | -0.016 | 0.010 | 21.427 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 386 | PHE | 0 | 0.049 | 0.009 | 24.122 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 387 | ILE | 0 | -0.015 | -0.013 | 26.570 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 388 | GLY | 0 | 0.034 | -0.011 | 26.672 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 389 | TYR | 0 | -0.010 | -0.026 | 20.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 390 | ILE | 0 | -0.036 | -0.020 | 24.505 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 391 | VAL | 0 | -0.029 | -0.019 | 27.369 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 392 | LEU | 0 | 0.013 | 0.022 | 20.601 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 393 | VAL | 0 | -0.034 | -0.014 | 23.751 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 394 | LEU | 0 | -0.057 | -0.049 | 25.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 395 | LYS | 1 | 0.903 | 0.950 | 28.601 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 396 | HIS | 0 | -0.001 | 0.018 | 24.722 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 397 | PRO | 0 | -0.036 | -0.005 | 24.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 398 | ASP | -1 | -0.886 | -0.950 | 23.906 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 399 | LEU | 0 | -0.002 | -0.024 | 19.114 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 400 | LYS | 1 | 0.841 | 0.911 | 17.987 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 401 | ARG | 1 | 0.952 | 0.958 | 15.277 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 402 | THR | 0 | -0.019 | -0.013 | 8.891 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 403 | PHE | 0 | -0.022 | -0.012 | 10.423 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 404 | ASN | 0 | 0.069 | 0.016 | 12.443 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 405 | ILE | 0 | -0.009 | 0.017 | 15.640 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 406 | PRO | 0 | -0.022 | -0.044 | 16.726 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 407 | GLY | 0 | 0.047 | 0.034 | 19.199 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 408 | GLY | 0 | -0.002 | 0.016 | 21.649 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 409 | LYS | 1 | 0.930 | 0.940 | 22.667 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 410 | GLY | 0 | 0.040 | 0.031 | 25.080 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 411 | VAL | 0 | 0.008 | -0.016 | 22.883 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 412 | LYN | 0 | 0.001 | 0.049 | 20.730 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 413 | LEU | 0 | 0.053 | 0.021 | 23.594 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 414 | VAL | 0 | -0.025 | 0.010 | 27.020 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 415 | VAL | 0 | 0.037 | 0.004 | 22.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 416 | ALA | 0 | 0.022 | 0.017 | 24.796 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 417 | ILE | 0 | -0.067 | -0.033 | 26.004 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 418 | VAL | 0 | 0.009 | 0.010 | 27.953 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 419 | GLY | 0 | 0.055 | 0.025 | 26.673 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 420 | LEU | 0 | -0.040 | -0.005 | 27.591 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 421 | LEU | 0 | 0.019 | 0.004 | 30.095 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 422 | THR | 0 | 0.021 | 0.004 | 29.201 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 423 | SER | 0 | -0.004 | -0.011 | 29.190 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 424 | ILE | 0 | 0.014 | -0.001 | 31.471 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 425 | MET | 0 | -0.043 | -0.008 | 34.855 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 426 | ALA | 0 | 0.061 | 0.014 | 33.036 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 427 | PHE | 0 | -0.033 | 0.016 | 35.058 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 428 | ILE | 0 | 0.007 | 0.010 | 36.627 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 429 | VAL | 0 | 0.049 | 0.021 | 38.294 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 430 | SER | 0 | 0.002 | -0.033 | 36.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 431 | PHE | 0 | -0.106 | -0.062 | 39.471 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 432 | LEU | 0 | -0.083 | -0.033 | 42.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 433 | PRO | 0 | -0.020 | 0.006 | 44.560 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 434 | PRO | 0 | 0.002 | -0.002 | 45.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 435 | ASP | -1 | -0.913 | -0.937 | 48.239 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 436 | ASN | 0 | -0.035 | -0.048 | 50.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 437 | ILE | 0 | -0.024 | 0.031 | 44.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 438 | GLN | 0 | -0.013 | -0.026 | 44.833 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 439 | GLY | 0 | 0.024 | 0.032 | 48.343 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 440 | ASP | -1 | -0.891 | -0.873 | 49.184 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 441 | SER | 0 | 0.006 | -0.108 | 50.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 442 | THR | 0 | 0.006 | -0.016 | 51.574 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 443 | ASP | -1 | -0.858 | -0.900 | 49.998 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 444 | MET | 0 | -0.044 | -0.005 | 51.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 445 | TYR | 0 | 0.033 | -0.010 | 42.092 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 446 | VAL | 0 | 0.026 | 0.013 | 45.954 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 447 | GLU | -1 | -0.918 | -0.948 | 47.344 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 448 | LEU | 0 | 0.021 | 0.007 | 45.956 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 449 | LEU | 0 | -0.007 | 0.003 | 40.238 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 450 | VAL | 0 | 0.001 | 0.001 | 43.100 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 451 | VAL | 0 | 0.000 | 0.000 | 44.430 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 452 | SER | 0 | -0.014 | -0.004 | 42.348 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 453 | PHE | 0 | 0.019 | -0.010 | 36.818 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 454 | LEU | 0 | 0.001 | 0.005 | 40.325 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 455 | VAL | 0 | -0.026 | -0.007 | 42.117 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 456 | VAL | 0 | 0.003 | -0.009 | 36.843 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 457 | LEU | 0 | -0.020 | 0.002 | 36.653 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 458 | ALA | 0 | 0.004 | -0.005 | 38.474 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 459 | LEU | 0 | -0.017 | -0.021 | 37.739 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 460 | PRO | 0 | -0.018 | 0.004 | 33.932 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 461 | PHE | 0 | -0.020 | -0.024 | 35.396 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 462 | ILE | 0 | -0.040 | -0.012 | 38.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 463 | LEU | 0 | -0.019 | -0.009 | 36.278 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 464 | TYR | 0 | 0.034 | 0.014 | 33.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 465 | ALA | 0 | -0.064 | -0.023 | 37.220 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 466 | VAL | 0 | -0.034 | 0.004 | 39.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 491 | HIS | 0 | 0.054 | 0.003 | 16.486 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 492 | PHE | 0 | -0.020 | 0.000 | 11.288 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 493 | PHE | 0 | 0.027 | -0.007 | 16.876 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 494 | LEU | 0 | -0.045 | 0.002 | 20.120 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 495 | HIS | 0 | 0.107 | 0.044 | 20.561 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 496 | PRO | 0 | 0.024 | -0.007 | 18.552 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 497 | ARG | 1 | 0.917 | 0.977 | 20.237 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 498 | ALA | 0 | -0.043 | -0.027 | 22.508 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 499 | ARG | 1 | 0.813 | 0.905 | 15.290 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 500 | SER | 0 | -0.020 | -0.039 | 18.679 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 501 | PRO | 0 | 0.002 | 0.042 | 14.915 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |