![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 2J4KR
Calculation Name: 4YB9-D-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4YB9
Chain ID: D
UniProt ID: P58353
Base Structure: X-ray
Registration Date: 2023-06-22
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 | 437 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7758830.980523 |
---|---|
FMO2-HF: Nuclear repulsion | 7591452.448325 |
FMO2-HF: Total energy | -167378.532198 |
FMO2-MP2: Total energy | -167866.318948 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026418/ligand_interaction/ligand_F026418.png)
Ligand Interaction
![ligand interaction](./Kdata/F026418/ligand_interaction/ligand_interaction_F026418.png)
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(D:19:LEU)
Summations of interaction energy for
fragment #1(D:19:LEU)
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. |
-4.664 | -0.429 | 1.853 | -2.186 | -3.901 | 0 |
Interaction energy analysis for fragmet #1(D:19:LEU)
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 | D | 21 | THR | 0 | 0.018 | 0.000 | 3.528 | -2.993 | -0.927 | -0.001 | -0.939 | -1.126 | 0.003 |
4 | D | 22 | LEU | 0 | -0.017 | -0.007 | 2.389 | -2.368 | -0.921 | 1.851 | -1.031 | -2.267 | -0.003 |
5 | D | 23 | ILE | 0 | -0.014 | -0.005 | 3.931 | -0.054 | 0.618 | 0.004 | -0.215 | -0.460 | 0.000 |
6 | D | 24 | ALA | 0 | -0.012 | -0.001 | 5.648 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | D | 25 | ALA | 0 | -0.011 | 0.015 | 7.263 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 26 | PHE | 0 | -0.004 | -0.007 | 7.328 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 27 | GLY | 0 | 0.047 | 0.018 | 10.945 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 28 | SER | 0 | 0.014 | -0.005 | 12.302 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 29 | SER | 0 | -0.007 | -0.005 | 15.028 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 30 | PHE | 0 | 0.028 | 0.025 | 14.443 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 31 | GLN | 0 | 0.023 | 0.022 | 16.342 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 32 | TYR | 0 | -0.004 | 0.002 | 18.952 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 33 | GLY | 0 | 0.037 | 0.004 | 19.663 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 34 | TYR | 0 | -0.063 | -0.039 | 19.887 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 35 | ASN | 0 | -0.013 | -0.033 | 21.744 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 36 | VAL | 0 | -0.047 | 0.001 | 24.270 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 37 | ALA | 0 | 0.027 | 0.009 | 24.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 38 | ALA | 0 | -0.013 | 0.006 | 25.294 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 39 | ILE | 0 | -0.050 | -0.023 | 27.032 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 40 | ASN | 0 | 0.001 | -0.001 | 29.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 41 | SER | 0 | 0.011 | 0.025 | 29.449 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 42 | PRO | 0 | 0.024 | 0.016 | 30.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 43 | SER | 0 | -0.039 | -0.029 | 33.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 44 | GLU | -1 | -0.960 | -0.976 | 35.729 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 45 | PHE | 0 | 0.087 | 0.045 | 34.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 46 | MET | 0 | -0.074 | -0.018 | 33.808 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 47 | LYS | 1 | 0.919 | 0.954 | 37.683 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 48 | ASP | -1 | -0.814 | -0.904 | 40.839 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 49 | PHE | 0 | -0.035 | -0.010 | 39.481 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 50 | TYR | 0 | -0.062 | -0.055 | 37.474 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 51 | ALA | 0 | 0.021 | 0.011 | 42.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 52 | TYR | 0 | 0.054 | 0.014 | 42.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 53 | THR | 0 | -0.008 | -0.008 | 43.272 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 54 | TYR | 0 | -0.086 | -0.044 | 46.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 55 | TYR | 0 | -0.011 | -0.002 | 48.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 56 | ASP | -1 | -0.836 | -0.918 | 48.055 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 57 | ARG | 1 | 0.731 | 0.870 | 44.923 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 58 | VAL | 0 | -0.031 | -0.007 | 51.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 59 | GLY | 0 | 0.015 | 0.026 | 53.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 60 | GLU | -1 | -0.962 | -0.980 | 54.745 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 61 | TYR | 0 | 0.014 | -0.009 | 51.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 62 | MET | 0 | -0.050 | -0.003 | 45.460 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 63 | ASN | 0 | 0.016 | -0.003 | 50.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 64 | GLU | -1 | -0.805 | -0.911 | 49.618 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 65 | PHE | 0 | -0.014 | -0.005 | 48.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 66 | TYR | 0 | 0.013 | -0.007 | 47.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 67 | LEU | 0 | 0.073 | 0.038 | 43.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 68 | THR | 0 | -0.009 | 0.002 | 43.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 69 | LEU | 0 | -0.075 | -0.029 | 42.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 70 | LEU | 0 | -0.007 | -0.005 | 41.700 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 71 | TRP | 0 | 0.028 | 0.004 | 34.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 72 | SER | 0 | 0.030 | -0.003 | 37.916 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 73 | VAL | 0 | -0.016 | 0.021 | 37.983 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 74 | THR | 0 | -0.002 | 0.014 | 34.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 75 | VAL | 0 | 0.019 | 0.023 | 32.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 76 | SER | 0 | -0.040 | -0.046 | 32.845 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 77 | MET | 0 | 0.032 | 0.003 | 34.386 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 78 | PHE | 0 | -0.020 | 0.014 | 24.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 79 | PRO | 0 | -0.022 | -0.003 | 29.850 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 80 | PHE | 0 | 0.010 | 0.004 | 30.885 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 81 | GLY | 0 | 0.039 | 0.003 | 31.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | D | 82 | GLY | 0 | 0.008 | 0.014 | 28.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 83 | PHE | 0 | 0.025 | -0.003 | 28.987 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 84 | LEU | 0 | -0.008 | 0.003 | 31.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 85 | GLY | 0 | 0.031 | 0.002 | 28.357 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | D | 86 | SER | 0 | -0.087 | -0.030 | 27.427 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | D | 87 | LEU | 0 | -0.033 | -0.019 | 28.447 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 88 | MET | 0 | -0.034 | -0.012 | 28.758 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 89 | VAL | 0 | 0.039 | 0.013 | 24.125 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 90 | GLY | 0 | -0.012 | -0.001 | 26.617 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 91 | PRO | 0 | 0.018 | 0.001 | 28.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 92 | LEU | 0 | 0.063 | 0.049 | 25.668 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 93 | VAL | 0 | 0.027 | 0.025 | 22.717 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 94 | ASN | 0 | -0.109 | -0.060 | 24.872 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 95 | ASN | 0 | -0.053 | -0.037 | 27.265 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 96 | LEU | 0 | 0.031 | 0.029 | 24.021 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 97 | GLY | 0 | 0.039 | 0.037 | 22.235 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 98 | ARG | 1 | 0.782 | 0.858 | 18.175 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 99 | LYS | 1 | 0.914 | 0.949 | 13.823 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 100 | GLY | 0 | 0.036 | 0.025 | 17.210 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 101 | THR | 0 | -0.010 | -0.027 | 20.429 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 102 | LEU | 0 | -0.020 | -0.009 | 15.029 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 103 | LEU | 0 | 0.015 | 0.014 | 15.616 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 104 | PHE | 0 | -0.017 | 0.001 | 18.961 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 105 | ASN | 0 | 0.031 | -0.012 | 19.946 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 106 | ASN | 0 | 0.002 | -0.015 | 16.218 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 107 | ILE | 0 | 0.002 | 0.000 | 20.129 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 108 | PHE | 0 | -0.052 | -0.017 | 22.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 109 | SER | 0 | 0.026 | -0.014 | 21.695 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 110 | ILE | 0 | -0.045 | -0.016 | 20.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 111 | VAL | 0 | 0.009 | 0.010 | 24.436 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 112 | PRO | 0 | 0.020 | 0.012 | 26.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 113 | ALA | 0 | -0.001 | 0.007 | 24.377 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 114 | LEU | 0 | 0.015 | 0.001 | 26.434 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 115 | LEU | 0 | -0.036 | -0.011 | 28.568 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 116 | MET | 0 | -0.015 | -0.009 | 27.408 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 117 | GLY | 0 | -0.003 | 0.009 | 29.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 118 | PHE | 0 | 0.015 | -0.001 | 30.019 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 119 | SER | 0 | -0.018 | -0.024 | 33.417 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 120 | GLU | -1 | -0.966 | -0.968 | 34.473 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 121 | LEU | 0 | -0.043 | -0.011 | 36.328 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 122 | ALA | 0 | -0.029 | -0.005 | 38.943 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 123 | LYS | 1 | 0.945 | 0.951 | 39.680 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 124 | SER | 0 | 0.080 | 0.055 | 38.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 125 | PHE | 0 | -0.036 | -0.044 | 38.367 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 126 | GLU | -1 | -0.933 | -0.956 | 37.452 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 127 | MET | 0 | -0.012 | -0.015 | 34.998 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 128 | ILE | 0 | 0.074 | 0.055 | 33.579 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 129 | ILE | 0 | 0.000 | 0.005 | 33.812 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 130 | VAL | 0 | -0.007 | -0.013 | 35.086 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 131 | ALA | 0 | 0.027 | 0.022 | 30.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 132 | ARG | 1 | 0.862 | 0.919 | 28.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 133 | VAL | 0 | -0.013 | 0.001 | 30.376 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 134 | LEU | 0 | -0.010 | -0.013 | 29.681 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 135 | VAL | 0 | 0.021 | 0.015 | 24.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 136 | GLY | 0 | 0.010 | 0.004 | 25.704 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 137 | ILE | 0 | -0.054 | -0.018 | 27.021 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 138 | CYS | 0 | -0.013 | 0.001 | 22.646 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 139 | ALA | 0 | 0.050 | 0.047 | 22.288 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 140 | GLY | 0 | -0.001 | 0.007 | 22.936 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 141 | LEU | 0 | -0.020 | 0.015 | 23.102 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 142 | SER | 0 | -0.009 | -0.035 | 18.777 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 143 | SER | 0 | -0.021 | -0.027 | 19.562 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 144 | ASN | 0 | -0.059 | -0.015 | 21.122 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 145 | VAL | 0 | 0.043 | 0.002 | 18.623 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 146 | VAL | 0 | 0.034 | 0.027 | 14.251 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 147 | PRO | 0 | 0.032 | 0.014 | 15.725 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 148 | MET | 0 | -0.038 | -0.003 | 17.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 149 | TYR | 0 | -0.073 | -0.070 | 11.966 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 150 | LEU | 0 | 0.008 | -0.010 | 10.132 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 151 | GLY | 0 | 0.012 | 0.020 | 14.208 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 152 | GLU | -1 | -0.827 | -0.884 | 17.185 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 153 | LEU | 0 | -0.058 | -0.024 | 11.829 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 154 | ALA | 0 | -0.026 | 0.017 | 13.370 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 155 | PRO | 0 | 0.013 | 0.002 | 13.181 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 156 | LYS | 1 | 0.822 | 0.899 | 16.182 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 157 | ASN | 0 | -0.011 | -0.012 | 18.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 158 | TRP | 0 | 0.008 | 0.012 | 8.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 159 | ARG | 1 | 0.974 | 0.972 | 15.245 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 160 | GLY | 0 | 0.027 | 0.005 | 15.689 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 161 | ALA | 0 | 0.026 | 0.029 | 13.049 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 162 | LEU | 0 | -0.024 | -0.020 | 13.508 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 163 | GLY | 0 | 0.010 | 0.007 | 14.770 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 164 | VAL | 0 | 0.045 | 0.015 | 17.169 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 165 | VAL | 0 | 0.004 | 0.019 | 10.750 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 166 | PRO | 0 | 0.003 | -0.001 | 13.580 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 167 | GLN | 0 | 0.041 | 0.012 | 14.700 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 168 | LEU | 0 | 0.047 | 0.023 | 12.567 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 169 | PHE | 0 | 0.005 | -0.005 | 8.912 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 170 | ILE | 0 | -0.031 | 0.000 | 14.706 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 171 | THR | 0 | -0.025 | -0.022 | 17.553 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 172 | ILE | 0 | 0.013 | 0.006 | 12.915 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 173 | GLY | 0 | 0.017 | 0.003 | 17.035 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 174 | ILE | 0 | -0.028 | -0.004 | 18.725 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | D | 175 | LEU | 0 | 0.006 | 0.008 | 18.236 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | D | 176 | VAL | 0 | -0.015 | -0.017 | 16.708 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | D | 177 | ALA | 0 | 0.031 | 0.008 | 20.051 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | D | 178 | GLN | 0 | 0.015 | 0.008 | 23.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | D | 179 | ILE | 0 | -0.029 | -0.011 | 19.591 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | D | 180 | PHE | 0 | -0.032 | -0.028 | 19.446 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | D | 181 | GLY | 0 | 0.010 | 0.008 | 24.409 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 182 | LEU | 0 | -0.016 | -0.008 | 27.055 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 183 | ARG | 1 | 0.823 | 0.874 | 28.782 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 184 | SER | 0 | -0.017 | -0.005 | 30.215 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 185 | LEU | 0 | -0.063 | -0.032 | 24.752 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 186 | LEU | 0 | -0.010 | -0.007 | 25.272 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 187 | ALA | 0 | -0.060 | -0.010 | 29.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 188 | ASN | 0 | 0.061 | 0.023 | 31.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 189 | GLU | -1 | -0.887 | -0.951 | 35.096 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 190 | GLU | -1 | -0.933 | -0.973 | 34.975 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 191 | GLY | 0 | 0.011 | 0.013 | 32.104 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 192 | TRP | 0 | 0.017 | 0.001 | 30.549 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 193 | PRO | 0 | 0.042 | 0.020 | 30.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 194 | ILE | 0 | -0.015 | 0.000 | 26.454 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 195 | LEU | 0 | -0.002 | 0.015 | 25.335 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 196 | LEU | 0 | -0.001 | -0.005 | 25.644 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 197 | GLY | 0 | 0.018 | 0.009 | 26.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 198 | LEU | 0 | -0.014 | 0.000 | 21.080 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 199 | THR | 0 | 0.002 | -0.005 | 20.997 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 200 | GLY | 0 | -0.006 | -0.008 | 20.585 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 201 | ILE | 0 | 0.001 | 0.008 | 17.234 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 202 | PRO | 0 | 0.009 | -0.007 | 15.128 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 203 | ALA | 0 | 0.013 | 0.013 | 14.932 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | D | 204 | VAL | 0 | 0.003 | -0.009 | 16.765 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 205 | LEU | 0 | -0.030 | 0.002 | 10.480 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | D | 206 | GLN | 0 | -0.001 | -0.003 | 11.880 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | D | 207 | LEU | 0 | -0.028 | -0.025 | 12.971 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 208 | LEU | 0 | -0.024 | 0.008 | 12.734 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 209 | PHE | 0 | 0.002 | -0.023 | 7.793 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 210 | LEU | 0 | 0.015 | 0.023 | 9.626 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 211 | PRO | 0 | 0.033 | 0.020 | 11.240 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 212 | PHE | 0 | 0.020 | 0.026 | 7.328 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 213 | PHE | 0 | -0.016 | -0.014 | 4.700 | -0.111 | -0.061 | -0.001 | -0.001 | -0.048 | 0.000 |
196 | D | 214 | PRO | 0 | -0.006 | -0.003 | 10.022 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 215 | GLU | -1 | -0.900 | -0.935 | 13.126 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 216 | SER | 0 | -0.020 | -0.036 | 16.040 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 217 | PRO | 0 | 0.060 | 0.015 | 17.093 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 218 | ARG | 1 | 0.824 | 0.904 | 20.197 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 219 | TYR | 0 | -0.046 | -0.038 | 21.760 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 220 | LEU | 0 | 0.010 | -0.007 | 20.269 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 221 | LEU | 0 | 0.034 | 0.038 | 24.058 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 222 | ILE | 0 | -0.063 | -0.014 | 26.303 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 223 | GLN | 0 | -0.064 | -0.041 | 26.881 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 224 | LYS | 1 | 0.866 | 0.923 | 25.752 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 225 | LYS | 1 | 0.829 | 0.937 | 28.127 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 226 | ASP | -1 | -0.802 | -0.893 | 26.152 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 227 | GLU | -1 | -0.830 | -0.915 | 25.831 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 228 | ALA | 0 | -0.011 | -0.012 | 25.207 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 229 | ALA | 0 | 0.011 | 0.008 | 22.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 230 | ALA | 0 | 0.006 | 0.014 | 20.804 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 231 | LYS | 1 | 0.876 | 0.928 | 20.490 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 232 | SER | 0 | -0.051 | -0.029 | 19.492 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 233 | ALA | 0 | -0.027 | -0.017 | 16.043 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 234 | LEU | 0 | 0.006 | 0.010 | 15.449 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 235 | ARG | 1 | 0.950 | 0.968 | 16.533 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 236 | ARG | 1 | 0.878 | 0.951 | 10.277 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 237 | LEU | 0 | 0.022 | 0.031 | 10.098 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 245 | ALA | 0 | -0.026 | -0.044 | 25.696 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 246 | GLU | -1 | -0.880 | -0.932 | 22.149 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 247 | ILE | 0 | -0.006 | -0.029 | 19.365 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 248 | GLU | -1 | -0.896 | -0.956 | 22.825 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 249 | GLU | -1 | -0.883 | -0.952 | 25.190 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 250 | ILE | 0 | -0.044 | -0.008 | 23.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | D | 251 | LEU | 0 | 0.008 | 0.004 | 22.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | D | 252 | GLU | -1 | -0.859 | -0.902 | 26.513 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | D | 253 | GLU | -1 | -0.799 | -0.905 | 26.572 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | D | 254 | ASP | -1 | -0.817 | -0.898 | 26.469 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 255 | ARG | 1 | 0.804 | 0.878 | 29.806 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 256 | ALA | 0 | 0.041 | 0.021 | 32.973 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 257 | GLU | -1 | -0.852 | -0.915 | 29.772 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 258 | LYS | 1 | 0.892 | 0.938 | 31.347 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 259 | ALA | 0 | -0.026 | -0.005 | 35.321 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 260 | VAL | 0 | -0.043 | -0.008 | 35.901 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 261 | GLY | 0 | 0.002 | 0.025 | 36.947 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 262 | PHE | 0 | -0.016 | -0.025 | 31.476 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 263 | ILE | 0 | -0.077 | -0.035 | 36.602 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 264 | SER | 0 | 0.031 | 0.011 | 37.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 265 | VAL | 0 | 0.115 | 0.034 | 36.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 266 | LEU | 0 | 0.019 | 0.010 | 39.311 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 267 | LYS | 1 | 0.905 | 0.943 | 42.162 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 268 | LEU | 0 | 0.067 | 0.034 | 36.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 269 | PHE | 0 | 0.047 | 0.036 | 40.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 270 | LYS | 1 | 0.897 | 0.946 | 43.591 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 271 | MET | 0 | -0.039 | 0.000 | 41.442 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 272 | ARG | 1 | 1.000 | 0.980 | 44.454 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 273 | SER | 0 | -0.032 | -0.001 | 42.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 274 | LEU | 0 | 0.078 | 0.028 | 38.072 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 275 | ARG | 1 | 0.931 | 0.980 | 40.355 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 276 | TRP | 0 | 0.057 | 0.031 | 41.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 277 | GLN | 0 | 0.041 | 0.042 | 36.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 278 | VAL | 0 | 0.001 | -0.018 | 37.226 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 279 | ILE | 0 | -0.014 | -0.016 | 38.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 280 | SER | 0 | 0.047 | 0.022 | 36.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 281 | ILE | 0 | 0.004 | 0.009 | 32.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 282 | ILE | 0 | -0.031 | -0.002 | 34.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 283 | VAL | 0 | 0.017 | 0.013 | 36.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 284 | LEU | 0 | -0.009 | 0.000 | 32.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 285 | MET | 0 | -0.036 | -0.010 | 27.987 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 286 | ALA | 0 | 0.017 | 0.008 | 32.919 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 287 | GLY | 0 | 0.026 | 0.014 | 35.847 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 288 | GLN | 0 | -0.023 | -0.018 | 27.317 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 289 | GLN | 0 | -0.014 | -0.027 | 28.525 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 290 | LEU | 0 | -0.020 | -0.007 | 32.979 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 291 | SER | 0 | -0.031 | -0.017 | 33.692 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 292 | GLY | 0 | 0.011 | 0.024 | 35.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 293 | VAL | 0 | -0.005 | 0.005 | 28.514 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 294 | ASN | 0 | 0.003 | -0.028 | 27.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 295 | ALA | 0 | -0.007 | 0.005 | 30.698 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 296 | ILE | 0 | 0.020 | 0.016 | 30.526 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 297 | TYR | 0 | 0.007 | -0.010 | 26.078 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 298 | TYR | 0 | -0.050 | -0.037 | 29.006 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 299 | TYR | 0 | 0.019 | -0.025 | 31.713 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 300 | ALA | 0 | 0.021 | 0.022 | 31.188 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 301 | ASP | -1 | -0.753 | -0.881 | 32.129 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 302 | GLN | 0 | -0.021 | -0.019 | 34.631 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 303 | ILE | 0 | -0.071 | -0.018 | 35.036 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 304 | TYR | 0 | 0.018 | -0.006 | 31.850 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 305 | LEU | 0 | 0.045 | 0.029 | 37.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 306 | SER | 0 | -0.085 | -0.046 | 40.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 307 | ALA | 0 | -0.036 | -0.017 | 41.142 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 308 | GLY | 0 | -0.019 | -0.022 | 41.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 309 | VAL | 0 | -0.063 | -0.013 | 36.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 310 | ASN | 0 | -0.025 | -0.021 | 39.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 311 | GLU | -1 | -0.816 | -0.915 | 38.901 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 312 | ASP | -1 | -0.843 | -0.918 | 36.779 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 313 | ASP | -1 | -0.865 | -0.927 | 35.494 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 314 | VAL | 0 | -0.016 | -0.012 | 34.192 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 315 | GLN | 0 | 0.040 | 0.015 | 31.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 316 | TYR | 0 | -0.036 | -0.005 | 29.932 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 317 | VAL | 0 | -0.035 | -0.018 | 29.416 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 318 | THR | 0 | -0.035 | -0.020 | 29.408 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 319 | ALA | 0 | 0.019 | 0.016 | 25.508 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 320 | GLY | 0 | 0.010 | 0.007 | 24.807 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 321 | THR | 0 | -0.019 | -0.017 | 26.002 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 322 | GLY | 0 | 0.033 | 0.020 | 23.907 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 323 | ALA | 0 | -0.013 | -0.002 | 21.335 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 324 | VAL | 0 | 0.000 | -0.006 | 21.656 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 325 | ASN | 0 | 0.001 | -0.003 | 22.657 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 326 | VAL | 0 | 0.019 | 0.020 | 16.804 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 327 | LEU | 0 | 0.003 | 0.001 | 18.855 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 328 | ILE | 0 | -0.002 | 0.015 | 20.357 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 329 | THR | 0 | -0.014 | -0.002 | 18.078 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 330 | VAL | 0 | -0.063 | -0.035 | 14.398 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 331 | CYS | 0 | -0.038 | -0.012 | 16.905 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 332 | ALA | 0 | 0.006 | -0.030 | 19.711 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 333 | ILE | 0 | -0.031 | -0.012 | 13.973 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 334 | PHE | 0 | 0.041 | 0.018 | 13.863 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 335 | VAL | 0 | -0.027 | -0.014 | 19.210 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 336 | VAL | 0 | -0.013 | -0.008 | 20.918 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 337 | GLU | -1 | -1.003 | -1.005 | 18.738 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 338 | LEU | 0 | -0.036 | -0.007 | 21.061 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 339 | MET | 0 | -0.037 | -0.015 | 24.550 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 340 | GLY | 0 | 0.004 | 0.016 | 27.004 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | D | 341 | ARG | 1 | 0.857 | 0.901 | 23.654 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | D | 342 | ARG | 1 | 0.865 | 0.921 | 29.504 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | D | 343 | PHE | 0 | 0.012 | 0.005 | 30.748 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | D | 344 | LEU | 0 | 0.075 | 0.038 | 25.819 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | D | 345 | LEU | 0 | 0.009 | 0.011 | 30.240 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | D | 346 | LEU | 0 | -0.016 | -0.012 | 31.822 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | D | 347 | LEU | 0 | -0.016 | 0.002 | 30.959 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | D | 348 | GLY | 0 | 0.035 | 0.013 | 31.572 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | D | 349 | PHE | 0 | 0.027 | -0.007 | 32.320 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | D | 350 | SER | 0 | -0.016 | -0.007 | 35.276 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | D | 351 | VAL | 0 | -0.028 | -0.008 | 32.999 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | D | 352 | CYS | 0 | -0.019 | -0.003 | 32.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | D | 353 | PHE | 0 | 0.039 | 0.022 | 35.607 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | D | 354 | THR | 0 | 0.000 | -0.011 | 38.348 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | D | 355 | ALA | 0 | -0.012 | 0.000 | 36.328 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | D | 356 | CYS | 0 | -0.025 | -0.012 | 37.894 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | D | 357 | CYS | 0 | -0.071 | -0.035 | 40.107 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | D | 358 | VAL | 0 | 0.008 | 0.004 | 40.537 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | D | 359 | LEU | 0 | 0.025 | 0.023 | 37.898 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | D | 360 | THR | 0 | -0.059 | -0.004 | 41.639 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | D | 361 | GLY | 0 | 0.030 | 0.011 | 44.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | D | 362 | ALA | 0 | -0.014 | -0.054 | 42.884 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | D | 363 | LEU | 0 | -0.034 | -0.014 | 41.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | D | 364 | ALA | 0 | -0.066 | -0.017 | 45.153 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | D | 365 | LEU | 0 | -0.018 | -0.002 | 48.698 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | D | 366 | GLN | 0 | 0.029 | -0.004 | 46.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | D | 367 | ASP | -1 | -0.889 | -0.950 | 49.065 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | D | 368 | VAL | 0 | -0.004 | -0.002 | 49.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | D | 369 | ILE | 0 | -0.043 | 0.016 | 45.946 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | D | 370 | SER | 0 | 0.024 | -0.011 | 45.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | D | 371 | TRP | 0 | -0.039 | -0.032 | 43.769 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | D | 372 | MET | 0 | 0.007 | 0.008 | 44.266 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | D | 373 | PRO | 0 | 0.061 | 0.049 | 41.483 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | D | 374 | TYR | 0 | 0.019 | -0.004 | 38.462 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | D | 375 | VAL | 0 | -0.002 | 0.004 | 38.343 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | D | 376 | SER | 0 | 0.070 | 0.027 | 38.653 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | D | 377 | ILE | 0 | 0.032 | 0.017 | 33.925 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | D | 378 | ALA | 0 | 0.016 | 0.017 | 34.199 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | D | 379 | CYS | 0 | -0.090 | -0.013 | 34.574 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | D | 380 | VAL | 0 | 0.044 | 0.023 | 31.923 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | D | 381 | ILE | 0 | 0.009 | 0.008 | 29.196 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | D | 382 | SER | 0 | -0.040 | -0.051 | 30.268 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | D | 383 | TYR | 0 | 0.001 | -0.020 | 31.648 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | D | 384 | VAL | 0 | -0.006 | -0.006 | 26.591 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | D | 385 | ILE | 0 | -0.020 | -0.015 | 27.162 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | D | 386 | GLY | 0 | 0.011 | 0.006 | 27.898 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | D | 387 | HIS | 0 | 0.048 | 0.002 | 29.062 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | D | 388 | ALA | 0 | -0.021 | -0.004 | 23.999 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | D | 389 | LEU | 0 | -0.017 | -0.005 | 24.226 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | D | 390 | GLY | 0 | 0.034 | 0.007 | 25.883 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | D | 391 | PRO | 0 | -0.046 | -0.016 | 28.501 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | D | 392 | SER | 0 | 0.007 | -0.006 | 24.796 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | D | 393 | PRO | 0 | -0.015 | -0.005 | 22.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | D | 394 | ILE | 0 | 0.008 | 0.020 | 24.071 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | D | 395 | PRO | 0 | -0.002 | 0.002 | 26.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | D | 396 | ALA | 0 | 0.012 | -0.004 | 24.278 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | D | 397 | LEU | 0 | 0.008 | 0.012 | 21.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | D | 398 | LEU | 0 | 0.059 | 0.037 | 25.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | D | 399 | VAL | 0 | -0.036 | -0.011 | 28.521 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | D | 400 | THR | 0 | -0.080 | -0.049 | 23.984 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | D | 401 | GLU | -1 | -0.816 | -0.882 | 26.192 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | D | 402 | ILE | 0 | -0.036 | -0.016 | 29.242 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | D | 403 | PHE | 0 | -0.032 | -0.021 | 31.728 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | D | 404 | LEU | 0 | 0.023 | 0.008 | 31.893 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | D | 405 | GLN | 0 | 0.065 | 0.017 | 28.147 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | D | 406 | SER | 0 | 0.028 | 0.017 | 32.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | D | 407 | SER | 0 | 0.001 | -0.017 | 35.090 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | D | 408 | ARG | 1 | 0.893 | 0.966 | 27.273 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | D | 409 | PRO | 0 | 0.021 | 0.017 | 30.253 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | D | 410 | ALA | 0 | -0.002 | -0.004 | 31.289 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | D | 411 | ALA | 0 | 0.001 | -0.006 | 32.359 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | D | 412 | TYR | 0 | 0.026 | 0.001 | 25.423 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | D | 413 | MET | 0 | 0.019 | 0.032 | 30.253 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | D | 414 | VAL | 0 | -0.013 | 0.000 | 32.348 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | D | 415 | ALA | 0 | 0.027 | 0.011 | 30.660 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | D | 416 | GLY | 0 | 0.040 | 0.017 | 29.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | D | 417 | THR | 0 | -0.030 | -0.031 | 30.512 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | D | 418 | VAL | 0 | -0.015 | -0.009 | 33.835 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | D | 419 | HIS | 0 | 0.018 | 0.027 | 27.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | D | 420 | TRP | 0 | 0.031 | 0.013 | 25.374 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | D | 421 | LEU | 0 | 0.033 | 0.016 | 31.757 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | D | 422 | SER | 0 | -0.013 | -0.015 | 34.330 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | D | 423 | ASN | 0 | -0.007 | 0.003 | 28.683 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | D | 424 | PHE | 0 | -0.040 | -0.019 | 32.987 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | D | 425 | THR | 0 | 0.019 | -0.004 | 35.198 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | D | 426 | VAL | 0 | -0.003 | 0.011 | 35.116 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | D | 427 | GLY | 0 | 0.033 | 0.012 | 34.975 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | D | 428 | LEU | 0 | -0.057 | -0.004 | 35.746 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | D | 429 | VAL | 0 | 0.003 | -0.023 | 39.128 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | D | 430 | PHE | 0 | 0.016 | 0.012 | 38.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | D | 431 | PRO | 0 | 0.031 | 0.021 | 39.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | D | 432 | PHE | 0 | 0.029 | 0.003 | 41.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | D | 433 | ILE | 0 | -0.037 | 0.006 | 41.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | D | 434 | GLN | 0 | 0.047 | 0.039 | 39.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | D | 435 | VAL | 0 | -0.036 | -0.005 | 44.325 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | D | 436 | GLY | 0 | -0.038 | -0.015 | 47.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | D | 437 | LEU | 0 | -0.049 | -0.047 | 46.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | D | 438 | GLY | 0 | 0.066 | 0.048 | 47.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | D | 439 | ALA | 0 | 0.035 | 0.030 | 45.486 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | D | 440 | TYR | 0 | -0.020 | -0.018 | 45.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | D | 441 | SER | 0 | -0.019 | -0.023 | 42.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | D | 442 | PHE | 0 | 0.042 | 0.004 | 36.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | D | 443 | VAL | 0 | 0.013 | 0.010 | 41.891 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | D | 444 | ILE | 0 | -0.010 | -0.016 | 42.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | D | 445 | PHE | 0 | 0.031 | 0.024 | 37.927 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | D | 446 | ALA | 0 | 0.049 | 0.038 | 39.974 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | D | 447 | VAL | 0 | 0.014 | 0.004 | 41.925 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | D | 448 | ILE | 0 | 0.017 | 0.018 | 38.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | D | 449 | CYS | 0 | -0.027 | -0.001 | 37.591 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | D | 450 | LEU | 0 | -0.005 | 0.023 | 39.231 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | D | 451 | LEU | 0 | -0.001 | -0.014 | 42.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | D | 452 | THR | 0 | -0.049 | -0.034 | 36.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | D | 453 | THR | 0 | 0.003 | -0.029 | 38.608 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | D | 454 | VAL | 0 | -0.006 | 0.002 | 39.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | D | 455 | TYR | 0 | -0.004 | -0.020 | 38.990 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | D | 456 | ILE | 0 | -0.048 | -0.027 | 35.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | D | 457 | PHE | 0 | -0.012 | 0.015 | 38.182 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | D | 458 | LEU | 0 | -0.018 | -0.016 | 40.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | D | 459 | ILE | 0 | -0.057 | -0.009 | 40.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | D | 460 | ILE | 0 | -0.024 | -0.004 | 35.101 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | D | 461 | PRO | 0 | 0.009 | 0.015 | 37.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | D | 462 | GLU | -1 | -0.870 | -0.942 | 30.639 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |