
FMODB ID: JL1L9
Calculation Name: 4DNG-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4DNG
Chain ID: A
UniProt ID: P94358
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
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 | 456 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8163993.100231 |
---|---|
FMO2-HF: Nuclear repulsion | 7989750.183659 |
FMO2-HF: Total energy | -174242.916571 |
FMO2-MP2: Total energy | -174752.691428 |
3D Structure
Ligand structure

Ligand Interaction

Ligand binding energy
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-36.289 | -32.429 | 19.234 | -11.443 | -11.654 | -0.108 |
Interaction energy analysis for fragmet #1(A:1:MET)
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 | PHE | 0 | 0.050 | 0.021 | 2.754 | -6.380 | -2.676 | 0.813 | -1.904 | -2.614 | -0.001 |
4 | A | 4 | GLU | -1 | -0.767 | -0.881 | 4.938 | 2.532 | 2.701 | -0.001 | -0.016 | -0.153 | 0.000 |
5 | A | 5 | THR | 0 | -0.042 | -0.027 | 7.256 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | LEU | 0 | -0.096 | -0.032 | 7.788 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | ASN | 0 | 0.010 | 0.002 | 10.441 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | LYS | 1 | 0.924 | 0.957 | 13.304 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | SER | 0 | 0.082 | 0.048 | 15.450 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | PHE | 0 | -0.032 | 0.003 | 15.569 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | ILE | 0 | 0.050 | 0.009 | 18.130 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ASN | 0 | 0.004 | -0.006 | 21.585 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | GLY | 0 | 0.011 | 0.018 | 19.041 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | LYS | 1 | 0.865 | 0.927 | 18.579 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | TRP | 0 | -0.007 | 0.001 | 12.095 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | THR | 0 | -0.071 | -0.047 | 16.932 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | GLY | 0 | 0.018 | 0.006 | 19.491 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLY | 0 | 0.041 | 0.012 | 21.183 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | GLU | -1 | -0.940 | -0.985 | 23.283 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | SER | 0 | -0.054 | -0.037 | 26.588 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | GLY | 0 | -0.035 | -0.005 | 26.944 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | ARG | 1 | 0.753 | 0.837 | 26.230 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | THR | 0 | -0.014 | -0.021 | 21.211 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLU | -1 | -0.874 | -0.940 | 20.808 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | ASP | -1 | -0.847 | -0.899 | 18.107 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ILE | 0 | 0.003 | 0.018 | 13.498 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | LEU | 0 | -0.015 | -0.013 | 15.263 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | ASN | 0 | 0.038 | 0.025 | 13.924 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | PRO | 0 | -0.040 | -0.019 | 15.560 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | TYR | 0 | -0.032 | -0.015 | 17.558 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ASP | -1 | -0.792 | -0.866 | 16.524 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLN | 0 | -0.034 | -0.006 | 19.221 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | SER | 0 | -0.074 | -0.049 | 15.196 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | VAL | 0 | -0.006 | -0.010 | 14.993 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ILE | 0 | -0.060 | -0.009 | 9.689 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | THR | 0 | -0.033 | -0.056 | 11.084 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | THR | 0 | -0.041 | -0.016 | 13.584 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ALA | 0 | -0.003 | 0.002 | 16.070 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | SER | 0 | -0.044 | -0.019 | 17.654 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | LEU | 0 | -0.030 | -0.007 | 20.505 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ALA | 0 | 0.009 | -0.005 | 22.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | THR | 0 | 0.012 | 0.023 | 24.287 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | GLY | 0 | 0.051 | 0.014 | 27.964 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | LYS | 1 | 0.850 | 0.913 | 30.407 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLN | 0 | 0.023 | 0.003 | 24.103 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | LEU | 0 | 0.027 | 0.022 | 26.231 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | GLU | -1 | -0.952 | -0.982 | 27.839 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ASP | -1 | -0.808 | -0.886 | 28.748 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | ALA | 0 | -0.017 | -0.013 | 25.175 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | PHE | 0 | 0.024 | -0.002 | 27.012 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ASP | -1 | -0.886 | -0.930 | 29.650 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ILE | 0 | -0.045 | -0.021 | 25.627 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ALA | 0 | 0.025 | 0.024 | 26.733 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | GLN | 0 | -0.038 | -0.017 | 28.041 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | LYS | 1 | 0.938 | 0.957 | 30.847 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ALA | 0 | 0.023 | 0.017 | 26.697 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | GLN | 0 | -0.002 | 0.009 | 28.821 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | LYS | 1 | 0.829 | 0.920 | 30.315 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | GLU | -1 | -0.824 | -0.891 | 30.099 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | TRP | 0 | 0.025 | 0.005 | 23.999 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ALA | 0 | -0.033 | -0.004 | 29.138 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | LYS | 1 | 0.723 | 0.837 | 32.098 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | SER | 0 | -0.015 | 0.003 | 28.077 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | THR | 0 | 0.001 | -0.017 | 30.125 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | THR | 0 | 0.018 | 0.000 | 29.079 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | GLU | -1 | -0.857 | -0.933 | 27.845 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | ASP | -1 | -0.845 | -0.903 | 25.772 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | ARG | 1 | 0.785 | 0.885 | 24.052 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | LYS | 1 | 0.925 | 0.955 | 23.270 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ALA | 0 | 0.005 | 0.007 | 22.229 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | VAL | 0 | -0.060 | -0.014 | 19.091 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | LEU | 0 | 0.035 | 0.007 | 18.373 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | GLN | 0 | 0.036 | 0.006 | 18.249 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | LYS | 1 | 0.798 | 0.894 | 15.579 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ALA | 0 | 0.007 | 0.024 | 14.056 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | ARG | 1 | 0.829 | 0.871 | 13.433 | 0.486 | 0.486 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | GLY | 0 | -0.012 | -0.007 | 14.023 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | TYR | 0 | -0.022 | -0.015 | 5.005 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | LEU | 0 | 0.038 | 0.004 | 9.044 | -0.368 | -0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | HIS | 0 | 0.004 | 0.005 | 10.317 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | GLU | -1 | -0.952 | -0.979 | 7.797 | -1.189 | -1.189 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | ASN | 0 | -0.085 | -0.053 | 4.726 | -1.015 | -0.864 | -0.001 | -0.005 | -0.146 | 0.000 |
83 | A | 83 | ARG | 1 | 0.832 | 0.907 | 6.007 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ASP | -1 | -0.838 | -0.925 | 6.389 | -2.080 | -2.080 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ASP | -1 | -0.833 | -0.918 | 1.834 | -29.514 | -29.840 | 18.424 | -9.494 | -8.604 | -0.107 |
86 | A | 86 | ILE | 0 | -0.033 | -0.012 | 4.101 | 2.166 | 2.328 | -0.001 | -0.024 | -0.137 | 0.000 |
87 | A | 87 | ILE | 0 | -0.023 | -0.005 | 6.235 | 0.677 | 0.677 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | MET | 0 | 0.002 | 0.007 | 5.706 | 0.539 | 0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | MET | 0 | -0.041 | -0.013 | 5.472 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | ILE | 0 | 0.028 | -0.007 | 7.420 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ALA | 0 | -0.005 | 0.008 | 10.699 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ARG | 1 | 0.835 | 0.909 | 8.132 | -0.805 | -0.805 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | GLU | -1 | -0.719 | -0.830 | 11.197 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | THR | 0 | -0.044 | -0.026 | 13.005 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | GLY | 0 | 0.018 | 0.011 | 15.152 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | GLY | 0 | -0.025 | -0.015 | 15.706 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | THR | 0 | 0.019 | -0.012 | 15.014 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | ILE | 0 | 0.078 | 0.043 | 11.343 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ILE | 0 | -0.020 | 0.013 | 14.237 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LYS | 1 | 0.911 | 0.974 | 17.336 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | SER | 0 | 0.009 | -0.009 | 12.291 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | THR | 0 | -0.049 | -0.034 | 13.450 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | ILE | 0 | 0.017 | 0.012 | 14.469 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | GLU | -1 | -0.778 | -0.887 | 15.008 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | LEU | 0 | 0.008 | 0.020 | 9.805 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | GLU | -1 | -0.826 | -0.908 | 13.803 | -0.796 | -0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLN | 0 | -0.011 | -0.017 | 16.558 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | THR | 0 | -0.033 | -0.034 | 14.090 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ILE | 0 | -0.032 | -0.020 | 12.897 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ALA | 0 | 0.025 | 0.016 | 16.933 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ILE | 0 | -0.003 | 0.000 | 19.944 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | LEU | 0 | -0.023 | -0.018 | 16.199 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | ASP | -1 | -0.805 | -0.875 | 20.464 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | GLU | -1 | -0.814 | -0.892 | 22.458 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | ALA | 0 | 0.020 | 0.024 | 23.309 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | MET | 0 | -0.055 | -0.004 | 21.014 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | THR | 0 | -0.085 | -0.039 | 25.642 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | TYR | 0 | 0.069 | 0.029 | 26.745 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | THR | 0 | -0.031 | -0.034 | 26.696 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | GLY | 0 | -0.036 | -0.023 | 29.131 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | GLU | -1 | -0.843 | -0.915 | 32.535 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | LEU | 0 | -0.041 | 0.006 | 31.393 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | GLY | 0 | 0.029 | 0.012 | 35.350 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | GLY | 0 | -0.063 | -0.044 | 38.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | VAL | 0 | 0.028 | 0.022 | 42.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | LYS | 1 | 0.890 | 0.930 | 45.226 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | GLU | -1 | -0.855 | -0.936 | 48.895 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | VAL | 0 | 0.013 | 0.016 | 51.121 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | PRO | 0 | -0.020 | -0.001 | 54.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | SER | 0 | -0.017 | -0.015 | 56.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ASP | -1 | -0.895 | -0.938 | 59.042 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ILE | 0 | -0.032 | -0.011 | 61.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.828 | -0.913 | 61.708 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLY | 0 | -0.008 | 0.003 | 61.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LYS | 1 | 0.837 | 0.925 | 55.831 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | THR | 0 | -0.057 | -0.044 | 52.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ASN | 0 | -0.019 | -0.004 | 52.279 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | LYS | 1 | 0.913 | 0.946 | 47.687 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ILE | 0 | 0.046 | 0.019 | 43.318 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | TYR | 0 | 0.000 | 0.006 | 41.330 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | ARG | 1 | 0.789 | 0.889 | 36.093 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | LEU | 0 | -0.016 | -0.015 | 36.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | PRO | 0 | 0.064 | 0.036 | 32.318 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | LEU | 0 | -0.024 | 0.002 | 33.138 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | GLY | 0 | -0.062 | -0.048 | 32.877 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | VAL | 0 | -0.007 | 0.011 | 28.589 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | ILE | 0 | -0.019 | -0.008 | 26.834 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | SER | 0 | -0.022 | -0.030 | 27.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | SER | 0 | -0.021 | -0.030 | 22.399 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ILE | 0 | -0.002 | 0.000 | 23.653 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | SER | 0 | -0.010 | -0.010 | 19.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | PRO | 0 | 0.016 | 0.014 | 21.639 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | PHE | 0 | 0.002 | -0.009 | 19.306 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ASN | 0 | -0.044 | -0.026 | 19.098 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | PHE | 0 | 0.043 | 0.024 | 18.152 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | PRO | 0 | 0.055 | 0.056 | 14.902 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | MET | 0 | 0.000 | 0.023 | 9.746 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | ASN | 0 | 0.019 | -0.003 | 15.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | LEU | 0 | 0.000 | 0.001 | 18.209 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | SER | 0 | 0.008 | -0.020 | 17.425 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | MET | 0 | -0.015 | 0.008 | 15.439 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ARG | 1 | 0.834 | 0.895 | 19.006 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | SER | 0 | -0.001 | 0.021 | 22.079 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ILE | 0 | -0.037 | -0.031 | 18.287 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | ALA | 0 | 0.010 | 0.006 | 20.423 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | PRO | 0 | 0.029 | 0.024 | 22.022 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | ALA | 0 | 0.004 | 0.000 | 24.773 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ILE | 0 | -0.006 | -0.003 | 20.688 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ALA | 0 | 0.035 | 0.019 | 24.713 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | LEU | 0 | 0.000 | 0.011 | 26.268 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | GLY | 0 | 0.019 | 0.016 | 28.455 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | ASN | 0 | -0.045 | -0.031 | 28.246 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | SER | 0 | -0.034 | -0.035 | 26.028 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | -0.002 | -0.007 | 22.906 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | VAL | 0 | -0.016 | 0.000 | 23.757 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | HIS | 0 | 0.034 | 0.023 | 18.245 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | LYS | 1 | 0.782 | 0.873 | 21.214 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | PRO | 0 | 0.048 | 0.050 | 16.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | ASP | -1 | -0.849 | -0.940 | 19.699 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | ILE | 0 | -0.029 | -0.003 | 18.026 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | GLN | 0 | -0.062 | -0.058 | 17.148 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | THR | 0 | -0.018 | -0.007 | 14.833 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | ALA | 0 | 0.014 | 0.014 | 14.807 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | ILE | 0 | 0.002 | -0.001 | 8.035 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | SER | 0 | -0.051 | -0.062 | 10.561 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | GLY | 0 | 0.041 | 0.011 | 11.391 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | GLY | 0 | -0.002 | -0.019 | 13.446 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | THR | 0 | -0.056 | -0.026 | 10.972 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ILE | 0 | 0.075 | 0.029 | 6.550 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | ILE | 0 | 0.000 | 0.011 | 9.582 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ALA | 0 | -0.013 | -0.009 | 13.056 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | LYS | 1 | 0.906 | 0.973 | 7.521 | 0.733 | 0.733 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ALA | 0 | -0.003 | 0.005 | 10.927 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | PHE | 0 | 0.032 | -0.014 | 11.855 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | GLU | -1 | -0.871 | -0.931 | 12.016 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | HIS | 0 | -0.037 | -0.019 | 10.212 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ALA | 0 | -0.025 | -0.007 | 12.985 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLY | 0 | -0.007 | 0.008 | 16.164 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | LEU | 0 | -0.028 | -0.007 | 18.167 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | PRO | 0 | -0.022 | -0.010 | 20.139 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | ALA | 0 | -0.001 | -0.008 | 22.007 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | GLY | 0 | 0.033 | 0.013 | 22.463 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | VAL | 0 | -0.019 | -0.002 | 23.059 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | LEU | 0 | 0.028 | 0.017 | 17.576 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ASN | 0 | -0.052 | -0.039 | 20.630 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | VAL | 0 | -0.003 | 0.007 | 15.985 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | MET | 0 | -0.009 | -0.004 | 19.210 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | LEU | 0 | 0.027 | 0.015 | 14.745 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | THR | 0 | 0.027 | -0.015 | 19.270 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASP | -1 | -0.683 | -0.800 | 22.161 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | VAL | 0 | 0.049 | 0.012 | 24.846 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | LYS | 1 | 0.794 | 0.897 | 25.698 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | GLU | -1 | -0.794 | -0.864 | 26.512 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ILE | 0 | -0.065 | -0.027 | 26.519 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | GLY | 0 | 0.010 | 0.013 | 30.301 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ASP | -1 | -0.810 | -0.896 | 31.170 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | GLY | 0 | 0.000 | 0.005 | 31.447 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | MET | 0 | -0.039 | -0.028 | 25.367 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | LEU | 0 | -0.029 | 0.007 | 29.886 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | THR | 0 | 0.056 | 0.005 | 33.248 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ASN | 0 | 0.025 | 0.035 | 32.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | PRO | 0 | 0.030 | 0.006 | 34.991 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ILE | 0 | -0.047 | -0.019 | 32.596 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | PRO | 0 | -0.031 | 0.005 | 30.664 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | ARG | 1 | 0.933 | 0.959 | 32.647 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | LEU | 0 | -0.015 | 0.014 | 29.680 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | ILE | 0 | -0.006 | -0.001 | 30.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | SER | 0 | -0.011 | -0.010 | 25.853 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | PHE | 0 | 0.032 | -0.004 | 26.869 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | THR | 0 | 0.024 | 0.015 | 24.886 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | GLY | 0 | 0.024 | 0.010 | 26.124 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | SER | 0 | 0.010 | 0.002 | 28.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | THR | 0 | 0.108 | 0.039 | 31.655 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ALA | 0 | -0.026 | 0.002 | 35.004 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | VAL | 0 | 0.012 | 0.003 | 30.714 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | GLY | 0 | 0.061 | 0.024 | 33.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ARG | 1 | 0.781 | 0.869 | 34.371 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | HIS | 0 | -0.060 | -0.037 | 34.876 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | ILE | 0 | 0.013 | -0.001 | 30.945 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | GLY | 0 | 0.025 | 0.007 | 35.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | GLU | -1 | -0.848 | -0.868 | 38.149 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ILE | 0 | 0.001 | -0.006 | 36.416 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | ALA | 0 | -0.006 | -0.014 | 35.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | GLY | 0 | 0.024 | 0.017 | 37.781 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ARG | 1 | 0.748 | 0.839 | 41.167 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | ALA | 0 | -0.051 | -0.021 | 39.005 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | PHE | 0 | -0.068 | -0.037 | 40.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | LYS | 1 | 0.789 | 0.907 | 34.816 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ARG | 1 | 0.814 | 0.892 | 34.573 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | MET | 0 | -0.020 | -0.024 | 33.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ALA | 0 | 0.035 | 0.029 | 30.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | LEU | 0 | -0.035 | -0.019 | 30.082 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | GLU | -1 | -0.755 | -0.836 | 27.134 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | LEU | 0 | -0.042 | -0.031 | 29.756 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | GLY | 0 | 0.008 | 0.015 | 32.072 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLY | 0 | 0.074 | 0.007 | 32.508 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ASN | 0 | -0.048 | 0.014 | 33.011 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | ASN | 0 | 0.026 | 0.010 | 31.638 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | PRO | 0 | -0.016 | 0.015 | 35.092 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | PHE | 0 | -0.009 | -0.007 | 34.267 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ALA | 0 | 0.032 | 0.012 | 37.327 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | VAL | 0 | -0.035 | -0.023 | 39.943 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | 0.016 | 0.007 | 42.524 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | SER | 0 | -0.043 | -0.062 | 46.056 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | ASP | -1 | -0.795 | -0.849 | 47.258 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ALA | 0 | -0.035 | -0.018 | 42.422 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ASP | -1 | -0.874 | -0.934 | 40.420 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | VAL | 0 | 0.048 | 0.019 | 40.605 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ASP | -1 | -0.827 | -0.898 | 38.289 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | ARG | 1 | 0.831 | 0.917 | 35.623 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ALA | 0 | 0.024 | 0.008 | 35.664 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | VAL | 0 | -0.010 | -0.002 | 35.637 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ASP | -1 | -0.815 | -0.889 | 31.534 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | ALA | 0 | -0.021 | -0.001 | 31.297 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | ALA | 0 | 0.045 | 0.047 | 31.383 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | ILE | 0 | -0.023 | -0.021 | 29.218 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | PHE | 0 | -0.039 | -0.028 | 23.940 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | GLY | 0 | 0.082 | 0.032 | 26.563 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | LYS | 1 | 0.850 | 0.924 | 28.730 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | PHE | 0 | -0.067 | -0.059 | 26.307 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ILE | 0 | -0.006 | 0.015 | 22.222 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | HIS | 0 | 0.012 | 0.012 | 21.324 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | GLN | 0 | -0.085 | -0.036 | 21.489 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | GLY | 0 | -0.003 | -0.006 | 23.212 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | GLN | 0 | 0.008 | 0.002 | 25.549 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ILE | 0 | 0.014 | 0.035 | 22.897 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | CYS | 0 | -0.069 | -0.047 | 24.835 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | MET | 0 | 0.020 | 0.054 | 27.107 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | ILE | 0 | -0.047 | -0.036 | 27.030 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ILE | 0 | 0.091 | 0.060 | 29.850 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | ASN | 0 | -0.057 | -0.031 | 32.208 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | ARG | 1 | 0.756 | 0.843 | 34.236 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | ILE | 0 | -0.030 | -0.013 | 34.867 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | ILE | 0 | -0.003 | 0.010 | 38.813 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | VAL | 0 | 0.003 | -0.002 | 41.745 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | HIS | 0 | 0.044 | 0.028 | 44.337 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | GLN | 0 | -0.086 | -0.063 | 47.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | ASP | -1 | -0.819 | -0.900 | 50.373 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | VAL | 0 | -0.007 | -0.001 | 44.608 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | TYR | 0 | -0.019 | -0.013 | 44.770 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | ASP | -1 | -0.826 | -0.923 | 44.657 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | GLU | -1 | -0.861 | -0.916 | 44.362 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | PHE | 0 | 0.035 | 0.002 | 37.404 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | VAL | 0 | 0.011 | 0.002 | 40.454 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | GLU | -1 | -0.924 | -0.940 | 40.731 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | LYS | 1 | 0.771 | 0.862 | 39.068 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | PHE | 0 | 0.019 | -0.002 | 34.128 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | THR | 0 | -0.023 | -0.037 | 35.808 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | ALA | 0 | -0.002 | 0.000 | 36.454 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | ARG | 1 | 0.792 | 0.874 | 29.740 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | VAL | 0 | 0.032 | 0.003 | 31.775 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | LYS | 1 | 0.863 | 0.938 | 31.629 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | GLN | 0 | -0.035 | -0.013 | 31.106 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | LEU | 0 | -0.048 | -0.003 | 27.098 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | PRO | 0 | -0.001 | 0.002 | 23.613 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | TYR | 0 | 0.042 | 0.023 | 23.828 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | GLY | 0 | -0.010 | -0.004 | 22.205 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | ASP | -1 | -0.813 | -0.882 | 15.730 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | GLN | 0 | 0.019 | 0.005 | 13.093 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | THR | 0 | -0.058 | -0.060 | 11.632 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | ASP | -1 | -0.813 | -0.904 | 13.131 | -0.443 | -0.443 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | PRO | 0 | -0.051 | -0.033 | 14.567 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | LYS | 1 | 0.873 | 0.918 | 16.365 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | THR | 0 | -0.029 | 0.000 | 18.652 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | VAL | 0 | -0.037 | 0.005 | 19.787 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | VAL | 0 | -0.013 | -0.022 | 21.745 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | GLY | 0 | 0.042 | 0.021 | 19.828 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | PRO | 0 | -0.043 | -0.025 | 18.830 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | LEU | 0 | -0.012 | 0.003 | 21.387 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | ILE | 0 | 0.012 | 0.001 | 18.854 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | ASN | 0 | 0.018 | -0.010 | 20.943 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | GLU | -1 | -0.740 | -0.839 | 23.685 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | ARG | 1 | 0.938 | 0.970 | 25.839 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | GLN | 0 | 0.003 | 0.001 | 25.696 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | ILE | 0 | -0.006 | 0.017 | 25.324 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | GLU | -1 | -0.841 | -0.930 | 29.187 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | LYS | 1 | 0.839 | 0.907 | 31.456 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ALA | 0 | 0.008 | 0.008 | 30.552 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | LEU | 0 | 0.000 | -0.006 | 32.598 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | GLU | -1 | -0.877 | -0.922 | 35.096 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | ILE | 0 | -0.023 | -0.012 | 35.883 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ILE | 0 | -0.007 | 0.003 | 33.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | GLU | -1 | -0.813 | -0.916 | 38.205 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | GLN | 0 | -0.039 | 0.011 | 40.745 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | ALA | 0 | 0.025 | 0.011 | 40.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | LYS | 1 | 0.795 | 0.883 | 39.360 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | THR | 0 | -0.095 | -0.054 | 44.191 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | ASP | -1 | -0.883 | -0.922 | 45.465 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | GLY | 0 | -0.033 | -0.006 | 47.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | ILE | 0 | -0.058 | -0.022 | 43.412 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | GLU | -1 | -0.915 | -0.952 | 44.637 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | LEU | 0 | -0.035 | -0.025 | 38.051 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | ALA | 0 | 0.042 | 0.029 | 41.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | VAL | 0 | -0.078 | -0.037 | 35.052 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | GLU | -1 | -0.763 | -0.875 | 37.210 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | GLY | 0 | -0.012 | -0.016 | 33.634 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | LYS | 1 | 0.874 | 0.932 | 30.740 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | ARG | 1 | 0.824 | 0.873 | 27.445 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | VAL | 0 | -0.074 | -0.051 | 26.539 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | GLY | 0 | 0.033 | 0.021 | 25.523 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | ASN | 0 | 0.000 | -0.014 | 22.438 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | VAL | 0 | -0.012 | 0.012 | 22.488 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | LEU | 0 | -0.015 | -0.005 | 24.908 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | THR | 0 | -0.035 | -0.012 | 27.930 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | PRO | 0 | 0.006 | -0.009 | 28.476 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | TYR | 0 | -0.004 | 0.014 | 31.078 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | VAL | 0 | -0.022 | -0.021 | 34.477 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 368 | PHE | 0 | 0.023 | 0.016 | 37.077 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 369 | VAL | 0 | -0.029 | -0.020 | 40.209 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | GLY | 0 | 0.023 | 0.012 | 43.009 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | ALA | 0 | -0.038 | -0.006 | 43.240 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | ASP | -1 | -0.830 | -0.914 | 45.199 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 373 | ASN | 0 | 0.032 | 0.013 | 43.314 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | ASN | 0 | -0.019 | -0.007 | 44.016 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | SER | 0 | -0.023 | -0.022 | 43.385 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | LYS | 1 | 0.826 | 0.877 | 41.740 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 377 | ILE | 0 | 0.009 | 0.009 | 37.929 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | ALA | 0 | -0.023 | 0.016 | 38.427 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | GLN | 0 | 0.029 | -0.008 | 38.941 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | THR | 0 | -0.085 | -0.037 | 35.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | GLU | -1 | -0.833 | -0.917 | 31.887 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | LEU | 0 | -0.020 | -0.016 | 31.671 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | PHE | 0 | -0.045 | -0.029 | 22.634 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | ALA | 0 | 0.057 | 0.031 | 26.768 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | PRO | 0 | -0.018 | -0.002 | 26.775 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | ILE | 0 | 0.025 | 0.004 | 29.072 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | ALA | 0 | -0.022 | -0.012 | 32.841 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | THR | 0 | 0.008 | -0.008 | 35.017 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | ILE | 0 | -0.031 | -0.010 | 37.658 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | ILE | 0 | 0.003 | 0.002 | 41.026 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | LYS | 1 | 0.805 | 0.912 | 44.163 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | ALA | 0 | 0.056 | 0.029 | 47.281 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | GLY | 0 | 0.005 | -0.004 | 49.029 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | SER | 0 | -0.056 | -0.044 | 51.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | ASP | -1 | -0.716 | -0.843 | 48.817 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | GLN | 0 | -0.070 | -0.040 | 48.546 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | GLU | -1 | -0.829 | -0.908 | 49.486 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | ALA | 0 | 0.024 | 0.001 | 45.438 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | ILE | 0 | -0.009 | -0.003 | 44.047 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | ASP | -1 | -0.843 | -0.917 | 45.844 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | MET | 0 | -0.048 | -0.027 | 45.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | ALA | 0 | -0.016 | -0.006 | 41.705 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | ASN | 0 | 0.007 | -0.005 | 41.727 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | ASP | -1 | -0.895 | -0.915 | 43.535 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | THR | 0 | -0.020 | -0.007 | 39.658 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 406 | GLU | -1 | -0.855 | -0.917 | 39.747 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 407 | TYR | 0 | -0.042 | -0.031 | 37.679 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 408 | GLY | 0 | 0.085 | 0.069 | 37.597 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 409 | LEU | 0 | -0.075 | -0.036 | 30.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 410 | SER | 0 | -0.030 | -0.061 | 31.756 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 411 | SER | 0 | 0.068 | 0.025 | 34.311 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 412 | ALA | 0 | -0.030 | 0.003 | 34.624 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 413 | VAL | 0 | 0.027 | 0.023 | 36.725 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 414 | PHE | 0 | -0.005 | 0.003 | 34.902 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 415 | THR | 0 | -0.026 | -0.058 | 40.896 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 416 | SER | 0 | -0.013 | 0.000 | 43.638 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 417 | ASP | -1 | -0.898 | -0.926 | 45.850 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 418 | LEU | 0 | 0.025 | -0.009 | 42.093 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 419 | GLU | -1 | -0.920 | -0.950 | 45.291 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 420 | LYS | 1 | 0.795 | 0.883 | 47.963 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 421 | GLY | 0 | 0.023 | 0.002 | 44.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 422 | GLU | -1 | -0.881 | -0.926 | 43.776 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 423 | LYS | 1 | 0.812 | 0.878 | 44.793 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 424 | PHE | 0 | -0.016 | -0.006 | 45.683 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 425 | ALA | 0 | 0.015 | 0.003 | 41.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 426 | LEU | 0 | -0.097 | -0.045 | 43.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 427 | GLN | 0 | -0.048 | -0.013 | 45.197 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 428 | ILE | 0 | -0.001 | 0.006 | 40.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 429 | ASP | -1 | -0.916 | -0.946 | 42.589 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 430 | SER | 0 | -0.068 | -0.052 | 37.329 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 431 | GLY | 0 | -0.028 | -0.004 | 36.112 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 432 | MET | 0 | -0.047 | -0.021 | 32.598 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 433 | THR | 0 | 0.014 | 0.017 | 36.057 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 434 | HIS | 0 | -0.040 | -0.025 | 31.901 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 435 | VAL | 0 | 0.023 | 0.001 | 36.087 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 436 | ASN | 0 | -0.057 | -0.038 | 37.713 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 437 | ASP | -1 | -0.827 | -0.910 | 31.495 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 438 | GLN | 0 | -0.096 | -0.067 | 28.100 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 461 | ASN | 0 | -0.019 | -0.039 | 29.413 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 462 | PRO | 0 | 0.007 | -0.001 | 31.731 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 463 | TRP | 0 | 0.031 | 0.016 | 29.398 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 464 | VAL | 0 | 0.067 | 0.041 | 27.889 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 465 | VAL | 0 | -0.014 | -0.016 | 31.350 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 466 | GLU | -1 | -0.844 | -0.877 | 32.992 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 467 | GLU | -1 | -0.892 | -0.950 | 31.502 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 468 | PHE | 0 | 0.015 | 0.018 | 27.079 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 469 | THR | 0 | -0.064 | -0.035 | 31.852 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 470 | VAL | 0 | -0.015 | -0.012 | 34.963 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 471 | THR | 0 | 0.069 | 0.035 | 38.595 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 472 | LYS | 1 | 0.891 | 0.948 | 41.670 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 473 | TRP | 0 | 0.060 | 0.027 | 43.486 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 474 | ILE | 0 | -0.063 | -0.042 | 45.724 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 475 | SER | 0 | 0.035 | 0.034 | 49.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 476 | ILE | 0 | -0.045 | -0.027 | 52.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 477 | GLN | 0 | 0.063 | 0.021 | 54.873 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 478 | LYS | 1 | 0.866 | 0.938 | 56.932 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |