![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 6N47Z
Calculation Name: 5AZS-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5AZS
Chain ID: A
UniProt ID: Q51397
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 | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 430 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5978376.623574 |
---|---|
FMO2-HF: Nuclear repulsion | 5815454.437395 |
FMO2-HF: Total energy | -162922.186179 |
FMO2-MP2: Total energy | -163405.991282 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027337/ligand_interaction/ligand_F027337.png)
Ligand Interaction
![ligand interaction](./Kdata/F027337/ligand_interaction/ligand_interaction_F027337.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(A:1:CYS)
Summations of interaction energy for
fragment #1(A:1:CYS)
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. |
-22.098 | -19.63 | 13.322 | -7.278 | -8.512 | -0.04 |
Interaction energy analysis for fragmet #1(A:1:CYS)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | MET | 0 | 0.009 | 0.029 | 3.886 | 0.108 | 2.519 | 0.167 | -0.942 | -1.636 | 0.000 |
4 | A | 4 | ALA | 0 | 0.003 | -0.004 | 5.901 | -0.468 | -0.419 | -0.001 | -0.003 | -0.045 | 0.000 |
5 | A | 5 | PRO | 0 | -0.035 | -0.005 | 8.331 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | THR | 0 | 0.018 | 0.020 | 10.551 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | TYR | 0 | -0.056 | -0.067 | 12.261 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | GLU | -1 | -0.926 | -0.953 | 15.562 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ARG | 1 | 0.737 | 0.837 | 18.737 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | PRO | 0 | -0.003 | -0.002 | 22.033 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ALA | 0 | 0.034 | 0.014 | 24.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ALA | 0 | 0.022 | 0.008 | 27.409 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | PRO | 0 | -0.011 | 0.015 | 30.117 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | VAL | 0 | -0.048 | -0.037 | 32.649 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ALA | 0 | 0.006 | 0.008 | 35.666 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ASP | -1 | -0.882 | -0.947 | 36.433 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | SER | 0 | -0.051 | -0.042 | 38.123 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | TRP | 0 | -0.013 | 0.007 | 38.447 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | SER | 0 | -0.011 | -0.002 | 43.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 33 | LEU | 0 | 0.027 | 0.003 | 39.638 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 34 | ASP | -1 | -0.786 | -0.896 | 40.391 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 35 | TRP | 0 | 0.066 | 0.026 | 41.677 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 36 | LYS | 1 | 0.785 | 0.884 | 44.433 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 37 | SER | 0 | -0.024 | -0.010 | 45.903 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 38 | PHE | 0 | 0.014 | 0.006 | 46.167 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 39 | ILE | 0 | 0.019 | 0.000 | 47.755 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 40 | VAL | 0 | 0.025 | 0.006 | 50.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 41 | ASP | -1 | -0.814 | -0.896 | 53.071 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 42 | ALA | 0 | 0.009 | -0.014 | 53.634 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 43 | GLU | -1 | -0.863 | -0.935 | 54.639 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 44 | LEU | 0 | -0.007 | -0.010 | 51.459 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 45 | ARG | 1 | 0.809 | 0.910 | 49.109 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 46 | ARG | 1 | 0.935 | 0.975 | 49.790 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 47 | LEU | 0 | -0.058 | -0.030 | 51.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 48 | VAL | 0 | 0.024 | 0.006 | 46.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 49 | ASP | -1 | -0.802 | -0.888 | 46.321 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 50 | MET | 0 | -0.037 | -0.001 | 46.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 51 | ALA | 0 | 0.029 | 0.013 | 46.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 52 | LEU | 0 | -0.059 | -0.039 | 41.221 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 53 | ASP | -1 | -0.881 | -0.909 | 42.134 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 54 | ASN | 0 | -0.021 | -0.022 | 44.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 55 | ASN | 0 | 0.031 | 0.031 | 43.926 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 56 | ARG | 1 | 0.866 | 0.916 | 43.047 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 57 | SER | 0 | 0.059 | 0.033 | 40.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 58 | LEU | 0 | -0.021 | -0.003 | 38.079 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 59 | ARG | 1 | 0.876 | 0.914 | 38.145 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 60 | GLN | 0 | -0.020 | -0.014 | 37.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 61 | THR | 0 | 0.046 | 0.031 | 33.688 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 62 | LEU | 0 | -0.025 | -0.007 | 33.353 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 63 | LEU | 0 | 0.002 | -0.007 | 33.039 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 64 | ASP | -1 | -0.878 | -0.934 | 31.081 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 65 | ILE | 0 | -0.046 | -0.017 | 28.620 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 66 | GLU | -1 | -0.829 | -0.894 | 27.958 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 67 | ALA | 0 | -0.017 | 0.001 | 28.253 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 68 | ALA | 0 | 0.017 | 0.007 | 25.066 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 69 | ARG | 1 | 0.762 | 0.845 | 23.780 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 70 | ALA | 0 | -0.055 | -0.024 | 23.588 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 71 | GLN | 0 | 0.021 | 0.006 | 22.557 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 72 | TYR | 0 | 0.006 | 0.010 | 16.235 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 73 | ARG | 1 | 0.884 | 0.935 | 19.015 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 74 | ILE | 0 | 0.004 | 0.007 | 20.140 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 75 | GLN | 0 | -0.021 | -0.021 | 14.633 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 76 | ARG | 1 | 0.932 | 0.961 | 15.029 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 77 | ALA | 0 | -0.025 | -0.008 | 15.555 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 78 | ASP | -1 | -0.826 | -0.899 | 13.904 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 79 | ARG | 1 | 0.808 | 0.904 | 8.622 | -1.118 | -1.118 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 80 | VAL | 0 | -0.043 | -0.004 | 11.982 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 81 | PRO | 0 | -0.003 | 0.014 | 14.141 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 82 | GLY | 0 | 0.037 | 0.018 | 16.599 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 83 | LEU | 0 | -0.034 | -0.032 | 20.266 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 84 | ASN | 0 | -0.005 | -0.004 | 23.414 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 85 | ALA | 0 | 0.017 | 0.006 | 26.471 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 86 | ALA | 0 | -0.020 | -0.010 | 29.830 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 87 | ALA | 0 | 0.013 | 0.000 | 31.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 88 | THR | 0 | -0.017 | -0.006 | 32.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 89 | GLY | 0 | 0.009 | 0.011 | 35.534 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 90 | ASN | 0 | -0.009 | 0.000 | 37.495 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 91 | ARG | 1 | 0.958 | 0.988 | 39.564 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 92 | GLN | 0 | -0.032 | -0.018 | 39.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 93 | ARG | 1 | 0.926 | 0.961 | 44.318 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 94 | GLN | 0 | -0.002 | 0.012 | 43.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 95 | PRO | 0 | 0.005 | -0.007 | 46.461 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 96 | ALA | 0 | -0.014 | -0.022 | 48.553 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 97 | ASP | -1 | -0.928 | -0.965 | 48.339 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 98 | LEU | 0 | -0.006 | 0.009 | 43.816 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 99 | SER | 0 | -0.011 | -0.043 | 44.637 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 100 | ALA | 0 | 0.030 | 0.020 | 45.397 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 101 | GLY | 0 | 0.026 | 0.025 | 47.218 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 102 | ASN | 0 | -0.065 | -0.036 | 49.740 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 103 | ARG | 1 | 0.882 | 0.927 | 51.521 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 104 | SER | 0 | 0.016 | 0.010 | 50.867 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 105 | GLU | -1 | -0.864 | -0.882 | 47.366 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 106 | VAL | 0 | -0.045 | -0.050 | 47.668 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 107 | ALA | 0 | 0.082 | 0.066 | 42.926 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 108 | SER | 0 | -0.001 | -0.017 | 43.297 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 109 | SER | 0 | -0.032 | -0.014 | 38.385 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 110 | TYR | 0 | -0.065 | -0.040 | 38.734 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 111 | GLN | 0 | -0.035 | -0.027 | 32.446 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 112 | VAL | 0 | 0.029 | 0.017 | 34.536 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 113 | GLY | 0 | 0.017 | 0.010 | 31.564 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 114 | LEU | 0 | -0.025 | 0.001 | 26.932 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 115 | ALA | 0 | 0.011 | -0.002 | 25.524 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 116 | LEU | 0 | -0.027 | 0.008 | 17.729 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 117 | PRO | 0 | -0.007 | -0.013 | 20.333 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 118 | GLU | -1 | -0.798 | -0.880 | 16.145 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 119 | TYR | 0 | -0.023 | -0.010 | 11.163 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 120 | GLU | -1 | -0.770 | -0.851 | 9.899 | -0.682 | -0.682 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 121 | LEU | 0 | 0.008 | -0.001 | 8.686 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 122 | ASP | -1 | -0.754 | -0.889 | 6.246 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 123 | LEU | 0 | -0.028 | -0.027 | 3.434 | 0.119 | 0.921 | 0.010 | -0.363 | -0.449 | -0.002 |
111 | A | 124 | PHE | 0 | 0.030 | -0.002 | 1.901 | -12.228 | -13.856 | 10.446 | -4.657 | -4.161 | -0.054 |
112 | A | 125 | GLY | 0 | 0.037 | 0.010 | 3.387 | 1.717 | 1.875 | -0.004 | 0.195 | -0.350 | 0.000 |
113 | A | 126 | ARG | 1 | 0.829 | 0.888 | 5.311 | 0.874 | 1.027 | -0.001 | -0.014 | -0.137 | 0.000 |
114 | A | 127 | VAL | 0 | 0.002 | 0.007 | 8.221 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 128 | LYS | 1 | 0.790 | 0.899 | 2.565 | -10.426 | -9.903 | 2.705 | -1.494 | -1.734 | 0.016 |
116 | A | 129 | SER | 0 | 0.026 | 0.008 | 8.802 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 130 | LEU | 0 | 0.025 | 0.019 | 10.404 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 131 | THR | 0 | 0.013 | 0.003 | 12.460 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 132 | ASP | -1 | -0.881 | -0.946 | 10.015 | 1.054 | 1.054 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 133 | ALA | 0 | 0.004 | -0.010 | 13.599 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 134 | ALA | 0 | -0.030 | -0.010 | 15.945 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 135 | LEU | 0 | 0.000 | -0.003 | 16.277 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 136 | GLN | 0 | 0.001 | 0.012 | 16.362 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 137 | GLN | 0 | 0.007 | -0.003 | 19.156 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 138 | TYR | 0 | -0.041 | -0.019 | 21.595 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 139 | LEU | 0 | 0.043 | 0.024 | 19.810 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 140 | ALA | 0 | -0.015 | -0.009 | 23.247 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 141 | SER | 0 | -0.054 | -0.022 | 25.064 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 142 | GLU | -1 | -0.748 | -0.869 | 26.543 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 143 | GLU | -1 | -0.811 | -0.867 | 26.571 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 144 | ALA | 0 | 0.002 | -0.003 | 29.227 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 145 | ALA | 0 | 0.034 | 0.013 | 31.367 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 146 | ARG | 1 | 0.800 | 0.866 | 29.165 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 147 | ALA | 0 | 0.028 | 0.017 | 33.580 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 148 | ALA | 0 | 0.022 | 0.013 | 35.396 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 149 | ARG | 1 | 0.886 | 0.938 | 37.107 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 150 | ILE | 0 | 0.002 | 0.001 | 36.276 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 151 | ALA | 0 | 0.001 | 0.006 | 39.551 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 152 | LEU | 0 | 0.016 | 0.024 | 41.437 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 153 | VAL | 0 | -0.010 | -0.008 | 42.732 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 154 | ALA | 0 | -0.004 | 0.017 | 44.221 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 155 | GLU | -1 | -0.779 | -0.874 | 44.057 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 156 | VAL | 0 | -0.015 | -0.013 | 47.500 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 157 | SER | 0 | -0.023 | -0.030 | 48.325 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 158 | GLN | 0 | -0.016 | -0.014 | 47.610 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 159 | ALA | 0 | 0.003 | 0.016 | 51.549 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 160 | TYR | 0 | -0.015 | -0.020 | 53.395 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 161 | LEU | 0 | 0.009 | 0.006 | 52.939 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 162 | SER | 0 | -0.011 | -0.017 | 55.180 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 163 | TYR | 0 | -0.087 | -0.063 | 57.533 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 164 | ASP | -1 | -0.784 | -0.880 | 59.194 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 165 | GLY | 0 | 0.007 | 0.005 | 60.138 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 166 | ALA | 0 | -0.035 | -0.018 | 61.697 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 167 | LEU | 0 | -0.001 | -0.005 | 62.961 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 168 | ARG | 1 | 0.826 | 0.919 | 62.615 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 169 | ARG | 1 | 0.840 | 0.905 | 62.618 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 170 | LEU | 0 | 0.003 | 0.004 | 67.637 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 171 | ALA | 0 | -0.019 | -0.006 | 69.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 172 | LEU | 0 | 0.015 | 0.017 | 70.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 173 | THR | 0 | 0.003 | -0.009 | 71.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 174 | ARG | 1 | 0.910 | 0.951 | 72.573 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 175 | GLN | 0 | -0.003 | 0.002 | 74.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 176 | THR | 0 | -0.028 | -0.013 | 75.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 177 | LEU | 0 | -0.018 | -0.006 | 77.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 178 | VAL | 0 | 0.035 | 0.021 | 79.521 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 179 | SER | 0 | -0.044 | -0.026 | 80.854 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 180 | ARG | 1 | 0.833 | 0.918 | 77.431 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 181 | GLU | -1 | -0.800 | -0.895 | 82.916 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 182 | TYR | 0 | -0.015 | -0.001 | 85.502 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 183 | SER | 0 | 0.004 | -0.011 | 86.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 184 | PHE | 0 | 0.015 | 0.007 | 87.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 185 | ALA | 0 | 0.027 | 0.017 | 89.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 186 | LEU | 0 | -0.032 | -0.014 | 90.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 187 | ILE | 0 | -0.038 | -0.012 | 91.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 188 | ASP | -1 | -0.884 | -0.933 | 92.991 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 189 | GLN | 0 | 0.030 | 0.007 | 94.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 190 | ARG | 1 | 0.858 | 0.926 | 94.340 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 191 | ARG | 1 | 0.936 | 0.974 | 96.847 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 192 | ALA | 0 | -0.034 | -0.019 | 98.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 193 | ALA | 0 | -0.021 | -0.003 | 100.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 194 | GLY | 0 | -0.041 | -0.018 | 102.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 195 | ALA | 0 | -0.040 | -0.014 | 101.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 196 | ALA | 0 | 0.008 | -0.004 | 96.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 197 | THR | 0 | -0.037 | -0.032 | 95.406 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 198 | ALA | 0 | -0.007 | -0.016 | 95.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 199 | LEU | 0 | 0.001 | 0.006 | 90.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 200 | ASP | -1 | -0.737 | -0.850 | 90.971 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 201 | TYR | 0 | -0.034 | -0.029 | 90.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 202 | GLN | 0 | 0.028 | 0.007 | 89.132 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 203 | GLU | -1 | -0.883 | -0.937 | 86.556 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 204 | ALA | 0 | 0.017 | 0.001 | 85.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 205 | LEU | 0 | 0.006 | 0.017 | 85.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 206 | GLY | 0 | 0.009 | 0.002 | 83.148 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 207 | LEU | 0 | -0.018 | -0.016 | 80.138 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 208 | VAL | 0 | -0.011 | 0.005 | 80.456 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 209 | GLU | -1 | -0.791 | -0.890 | 80.171 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 210 | GLN | 0 | -0.036 | -0.020 | 77.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 211 | ALA | 0 | -0.006 | 0.008 | 75.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 212 | ARG | 1 | 0.791 | 0.869 | 75.447 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 213 | ALA | 0 | -0.005 | -0.009 | 74.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 214 | GLU | -1 | -0.827 | -0.873 | 68.998 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 215 | GLN | 0 | 0.021 | 0.011 | 70.580 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 216 | GLU | -1 | -0.846 | -0.924 | 70.716 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 217 | ARG | 1 | 0.769 | 0.870 | 66.560 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 218 | ASN | 0 | 0.006 | -0.018 | 66.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 219 | LEU | 0 | 0.009 | 0.004 | 66.084 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 220 | ARG | 1 | 0.918 | 0.977 | 64.038 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 221 | GLN | 0 | 0.047 | 0.022 | 62.138 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 222 | LYS | 1 | 0.938 | 0.961 | 61.304 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 223 | GLN | 0 | 0.005 | 0.013 | 62.129 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 224 | GLN | 0 | -0.019 | -0.018 | 58.931 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 225 | ALA | 0 | 0.048 | 0.030 | 56.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 226 | PHE | 0 | -0.014 | -0.002 | 56.593 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 227 | ASN | 0 | 0.007 | -0.011 | 57.168 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 228 | ALA | 0 | 0.008 | 0.011 | 53.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 229 | LEU | 0 | 0.022 | 0.014 | 52.462 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 230 | VAL | 0 | -0.003 | -0.013 | 52.769 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 231 | LEU | 0 | -0.050 | -0.017 | 49.812 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 232 | LEU | 0 | -0.025 | -0.015 | 47.273 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 233 | LEU | 0 | -0.002 | -0.019 | 47.927 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 234 | GLY | 0 | -0.004 | 0.019 | 48.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 235 | SER | 0 | -0.015 | -0.039 | 49.446 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 236 | ASP | -1 | -0.920 | -0.951 | 51.928 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 237 | ASP | -1 | -0.840 | -0.905 | 54.460 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 238 | ALA | 0 | 0.058 | 0.024 | 53.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 239 | ALA | 0 | -0.027 | -0.018 | 55.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 240 | GLN | 0 | -0.073 | -0.052 | 59.125 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 241 | ALA | 0 | 0.007 | 0.018 | 55.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 242 | ILE | 0 | 0.019 | 0.014 | 55.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 243 | PRO | 0 | 0.013 | 0.034 | 58.520 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 244 | ARG | 1 | 0.918 | 0.946 | 61.494 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 245 | SER | 0 | -0.006 | -0.003 | 64.522 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 246 | PRO | 0 | 0.010 | 0.029 | 61.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 247 | GLY | 0 | 0.069 | 0.023 | 61.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 248 | GLN | 0 | -0.088 | -0.049 | 61.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 249 | ARG | 1 | 0.953 | 0.980 | 60.189 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 250 | PRO | 0 | 0.034 | 0.002 | 58.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 251 | LYS | 1 | 0.814 | 0.904 | 54.121 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 252 | LEU | 0 | -0.037 | -0.008 | 49.649 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 253 | LEU | 0 | -0.035 | -0.006 | 48.646 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 254 | GLN | 0 | 0.017 | 0.002 | 51.593 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 255 | ASP | -1 | -0.781 | -0.841 | 51.309 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 256 | ILE | 0 | -0.031 | -0.014 | 44.736 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 257 | ALA | 0 | -0.007 | 0.006 | 44.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 258 | PRO | 0 | -0.005 | -0.010 | 42.849 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 259 | GLY | 0 | 0.021 | 0.023 | 39.875 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 260 | THR | 0 | -0.021 | -0.029 | 36.793 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 261 | PRO | 0 | -0.014 | -0.010 | 36.406 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 262 | SER | 0 | 0.012 | -0.014 | 32.391 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 263 | GLU | -1 | -0.842 | -0.894 | 32.062 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 264 | LEU | 0 | -0.023 | -0.005 | 33.272 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 265 | ILE | 0 | -0.024 | -0.017 | 28.656 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 266 | GLU | -1 | -0.850 | -0.910 | 26.569 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 267 | ARG | 1 | 0.800 | 0.891 | 29.783 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 268 | ARG | 1 | 0.743 | 0.844 | 32.808 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 269 | PRO | 0 | 0.007 | -0.007 | 30.564 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 270 | ASP | -1 | -0.840 | -0.901 | 29.870 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 271 | ILE | 0 | 0.015 | 0.016 | 28.341 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 272 | LEU | 0 | 0.034 | 0.033 | 26.144 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 273 | ALA | 0 | -0.010 | -0.005 | 25.118 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 274 | ALA | 0 | -0.003 | 0.002 | 25.320 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 275 | GLU | -1 | -0.710 | -0.802 | 21.567 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 276 | HIS | 0 | -0.033 | -0.017 | 20.432 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 277 | ARG | 1 | 0.872 | 0.918 | 20.369 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 278 | LEU | 0 | 0.031 | 0.025 | 20.164 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 279 | ARG | 1 | 0.829 | 0.906 | 16.661 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 280 | ALA | 0 | -0.030 | -0.025 | 15.913 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 281 | ARG | 1 | 0.831 | 0.925 | 16.481 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 282 | ASN | 0 | -0.014 | -0.023 | 12.691 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 283 | ALA | 0 | -0.007 | 0.001 | 12.124 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 284 | ASP | -1 | -0.799 | -0.882 | 12.486 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 285 | ILE | 0 | 0.000 | -0.002 | 11.998 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 286 | GLY | 0 | 0.015 | 0.010 | 9.360 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 287 | ALA | 0 | -0.002 | 0.009 | 8.915 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 288 | ALA | 0 | -0.013 | -0.015 | 11.021 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 289 | ARG | 1 | 0.917 | 0.952 | 8.963 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 290 | ALA | 0 | -0.014 | -0.008 | 6.901 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 291 | ALA | 0 | -0.020 | -0.001 | 8.078 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 292 | PHE | 0 | -0.029 | -0.019 | 10.888 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 293 | PHE | 0 | -0.049 | -0.012 | 6.231 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 294 | PRO | 0 | -0.028 | -0.007 | 8.286 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 295 | ARG | 1 | 0.853 | 0.909 | 9.363 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 296 | ILE | 0 | 0.003 | -0.007 | 9.556 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 297 | SER | 0 | -0.058 | -0.046 | 11.216 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 298 | LEU | 0 | -0.018 | 0.001 | 13.763 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 299 | THR | 0 | 0.045 | 0.034 | 16.431 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 300 | GLY | 0 | 0.004 | -0.009 | 20.075 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 301 | SER | 0 | -0.025 | -0.004 | 23.061 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 302 | PHE | 0 | 0.053 | 0.009 | 26.556 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 303 | GLY | 0 | 0.006 | 0.001 | 28.672 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 304 | THR | 0 | 0.012 | 0.024 | 32.376 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 305 | SER | 0 | -0.042 | -0.022 | 35.116 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 306 | SER | 0 | 0.011 | 0.004 | 37.359 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 307 | ALA | 0 | 0.044 | 0.018 | 40.750 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 308 | GLU | -1 | -0.831 | -0.907 | 43.214 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 309 | MET | 0 | -0.023 | -0.011 | 44.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 310 | SER | 0 | -0.041 | -0.026 | 45.123 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 311 | GLY | 0 | 0.046 | 0.031 | 44.909 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 312 | LEU | 0 | -0.039 | -0.018 | 40.087 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 313 | PHE | 0 | -0.044 | -0.022 | 40.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 314 | ASP | -1 | -0.824 | -0.899 | 42.200 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 315 | GLY | 0 | 0.006 | -0.004 | 41.939 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 316 | GLY | 0 | 0.011 | 0.002 | 40.524 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 317 | SER | 0 | -0.043 | -0.018 | 39.554 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 318 | ARG | 1 | 0.903 | 0.961 | 31.886 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 319 | SER | 0 | -0.018 | -0.032 | 33.207 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 320 | TRP | 0 | -0.030 | -0.018 | 25.397 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 321 | SER | 0 | -0.001 | 0.001 | 26.941 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 322 | PHE | 0 | -0.004 | -0.011 | 17.750 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 323 | LEU | 0 | 0.016 | 0.014 | 21.046 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 324 | PRO | 0 | 0.005 | 0.016 | 16.938 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 325 | THR | 0 | 0.000 | -0.006 | 16.457 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 326 | LEU | 0 | -0.002 | -0.005 | 12.870 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 327 | THR | 0 | -0.039 | -0.024 | 14.275 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 328 | LEU | 0 | 0.048 | 0.011 | 12.113 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 329 | PRO | 0 | -0.019 | 0.001 | 13.722 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 330 | ILE | 0 | -0.001 | 0.015 | 16.118 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 331 | PHE | 0 | 0.010 | -0.003 | 18.905 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 332 | ASP | -1 | -0.741 | -0.863 | 19.847 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 333 | GLY | 0 | -0.008 | 0.008 | 22.117 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 334 | GLY | 0 | 0.004 | -0.004 | 22.039 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 335 | ARG | 1 | 0.880 | 0.921 | 20.544 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 336 | ASN | 0 | 0.017 | 0.000 | 15.349 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 337 | ARG | 1 | 0.942 | 0.960 | 17.168 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 338 | ALA | 0 | -0.012 | 0.016 | 18.771 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 339 | ASN | 0 | 0.008 | -0.016 | 17.375 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 340 | LEU | 0 | 0.000 | 0.004 | 13.655 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 341 | SER | 0 | 0.023 | -0.016 | 16.979 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 342 | LEU | 0 | -0.047 | -0.005 | 20.236 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 343 | ALA | 0 | 0.004 | -0.009 | 16.524 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 344 | GLU | -1 | -0.865 | -0.908 | 17.846 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 345 | ALA | 0 | 0.035 | 0.020 | 19.078 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 346 | ARG | 1 | 0.857 | 0.925 | 19.893 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 347 | LYS | 1 | 0.846 | 0.917 | 17.727 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 348 | ASP | -1 | -0.766 | -0.876 | 20.521 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 349 | SER | 0 | -0.082 | -0.043 | 23.321 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 350 | ALA | 0 | -0.003 | -0.012 | 22.412 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 351 | VAL | 0 | 0.002 | 0.006 | 22.064 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 352 | ALA | 0 | 0.054 | 0.031 | 24.695 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 353 | ALA | 0 | -0.018 | -0.005 | 27.435 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 354 | TYR | 0 | -0.007 | 0.003 | 25.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 355 | GLU | -1 | -0.869 | -0.945 | 27.236 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 356 | GLY | 0 | 0.007 | 0.015 | 29.907 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 357 | THR | 0 | -0.057 | -0.040 | 30.871 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 358 | ILE | 0 | 0.024 | 0.009 | 28.877 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 359 | GLN | 0 | -0.039 | -0.031 | 33.009 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 360 | THR | 0 | -0.063 | -0.032 | 35.824 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 361 | ALA | 0 | 0.015 | 0.004 | 35.454 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 362 | PHE | 0 | 0.000 | -0.007 | 36.931 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 363 | ARG | 1 | 0.857 | 0.911 | 38.600 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 364 | GLU | -1 | -0.830 | -0.903 | 39.481 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 365 | VAL | 0 | 0.019 | 0.002 | 40.348 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 366 | ALA | 0 | -0.003 | 0.013 | 42.905 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 367 | ASP | -1 | -0.821 | -0.896 | 44.993 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 368 | ALA | 0 | 0.013 | 0.012 | 45.769 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 369 | LEU | 0 | 0.000 | 0.006 | 44.849 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 370 | ALA | 0 | 0.014 | 0.013 | 48.505 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 371 | ALA | 0 | 0.008 | 0.014 | 50.600 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 372 | SER | 0 | 0.001 | -0.019 | 50.267 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 373 | ASP | -1 | -0.861 | -0.910 | 52.644 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 374 | THR | 0 | -0.038 | -0.026 | 54.501 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 375 | LEU | 0 | 0.035 | 0.014 | 54.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 376 | ARG | 1 | 0.769 | 0.846 | 53.475 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 377 | ARG | 1 | 0.785 | 0.878 | 56.503 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 378 | GLU | -1 | -0.898 | -0.949 | 60.271 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 379 | GLU | -1 | -0.850 | -0.917 | 59.866 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 380 | LYS | 1 | 0.952 | 0.974 | 63.000 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 381 | ALA | 0 | -0.047 | -0.028 | 65.192 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 382 | LEU | 0 | 0.031 | 0.011 | 63.487 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 383 | ARG | 1 | 0.768 | 0.848 | 67.104 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 384 | ALA | 0 | -0.019 | -0.007 | 68.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 385 | LEU | 0 | 0.008 | 0.018 | 70.052 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 386 | ALA | 0 | 0.053 | 0.028 | 70.924 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 387 | ASN | 0 | -0.008 | -0.003 | 72.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 388 | SER | 0 | -0.031 | -0.019 | 74.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 389 | SER | 0 | 0.016 | 0.007 | 75.370 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 390 | ASN | 0 | -0.020 | -0.002 | 74.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 391 | GLU | -1 | -0.881 | -0.935 | 78.551 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 392 | ALA | 0 | -0.023 | -0.013 | 80.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 393 | LEU | 0 | -0.002 | -0.006 | 80.490 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 394 | LYS | 1 | 0.937 | 0.979 | 82.813 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 395 | LEU | 0 | 0.004 | -0.007 | 84.501 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 396 | ALA | 0 | 0.002 | -0.003 | 85.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 397 | LYS | 1 | 0.825 | 0.903 | 86.670 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 398 | ALA | 0 | -0.003 | 0.004 | 88.381 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 399 | ARG | 1 | 0.856 | 0.923 | 90.444 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 400 | TYR | 0 | -0.019 | -0.025 | 90.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 401 | GLU | -1 | -0.795 | -0.877 | 91.581 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 402 | SER | 0 | -0.084 | -0.054 | 94.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 403 | GLY | 0 | -0.002 | 0.000 | 96.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 404 | VAL | 0 | -0.065 | -0.022 | 95.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 405 | ASP | -1 | -0.777 | -0.855 | 90.912 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 406 | ASN | 0 | 0.003 | -0.013 | 90.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 407 | HIS | 0 | 0.004 | -0.012 | 88.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 408 | LEU | 0 | 0.021 | 0.023 | 85.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 409 | ARG | 1 | 0.918 | 0.943 | 85.883 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 410 | TYR | 0 | 0.023 | 0.008 | 85.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 411 | LEU | 0 | -0.018 | -0.002 | 83.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 412 | ASP | -1 | -0.847 | -0.922 | 81.046 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 413 | ALA | 0 | 0.036 | 0.027 | 80.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 414 | GLN | 0 | 0.001 | -0.007 | 79.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 415 | ARG | 1 | 0.824 | 0.909 | 77.774 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 416 | SER | 0 | -0.003 | -0.003 | 75.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 417 | SER | 0 | -0.035 | -0.028 | 74.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 418 | PHE | 0 | 0.014 | 0.001 | 73.690 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 419 | LEU | 0 | 0.018 | 0.016 | 70.495 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 420 | ASN | 0 | 0.005 | -0.018 | 70.281 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 421 | GLU | -1 | -0.720 | -0.822 | 69.714 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 422 | ILE | 0 | -0.010 | -0.010 | 67.441 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 423 | ALA | 0 | -0.003 | 0.000 | 66.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 424 | PHE | 0 | 0.050 | 0.022 | 64.928 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 425 | ILE | 0 | -0.045 | 0.001 | 64.422 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 426 | ASP | -1 | -0.784 | -0.864 | 61.305 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 427 | GLY | 0 | 0.089 | 0.046 | 60.574 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 428 | SER | 0 | -0.039 | -0.035 | 59.653 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 429 | THR | 0 | -0.076 | -0.040 | 57.504 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 430 | GLN | 0 | -0.019 | -0.027 | 56.071 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 431 | ARG | 1 | 0.835 | 0.901 | 54.787 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 432 | GLN | 0 | -0.044 | -0.021 | 54.374 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 433 | ILE | 0 | 0.007 | -0.002 | 51.832 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 434 | ALA | 0 | 0.066 | 0.038 | 50.246 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 435 | LEU | 0 | -0.008 | 0.009 | 49.203 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 436 | VAL | 0 | -0.035 | -0.014 | 47.304 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 437 | ASP | -1 | -0.833 | -0.933 | 45.827 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 438 | LEU | 0 | -0.009 | 0.003 | 44.564 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 439 | PHE | 0 | -0.008 | -0.008 | 42.516 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 440 | ARG | 1 | 0.802 | 0.883 | 41.591 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 441 | ALA | 0 | -0.010 | 0.004 | 40.201 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 442 | LEU | 0 | 0.053 | 0.035 | 39.028 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 443 | GLY | 0 | -0.050 | -0.008 | 37.198 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |