![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: G67Z1
Calculation Name: 3CDI-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3CDI
Chain ID: A
UniProt ID: P05055
Base Structure: X-ray
Registration Date: 2023-06-26
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 | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 521 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9939682.554063 |
---|---|
FMO2-HF: Nuclear repulsion | 9740501.015936 |
FMO2-HF: Total energy | -199181.538128 |
FMO2-MP2: Total energy | -199760.303552 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027827/ligand_interaction/ligand_F027827.png)
Ligand Interaction
![ligand interaction](./Kdata/F027827/ligand_interaction/ligand_interaction_F027827.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:25:LEU)
Summations of interaction energy for
fragment #1(A:25:LEU)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-9.118 | -4.936 | 8.839 | -4.115 | -8.907 | -0.018 |
Interaction energy analysis for fragmet #1(A:25:LEU)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 27 | PRO | 0 | -0.011 | 0.009 | 3.767 | -0.865 | 1.380 | -0.026 | -0.999 | -1.220 | -0.002 |
4 | A | 28 | ILE | 0 | 0.048 | 0.035 | 5.728 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 29 | VAL | 0 | -0.016 | -0.018 | 9.444 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 30 | ARG | 1 | 0.962 | 0.992 | 11.880 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 31 | LYS | 1 | 0.915 | 0.947 | 15.370 | 0.453 | 0.453 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 32 | PHE | 0 | 0.008 | 0.010 | 18.151 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 33 | GLN | 0 | 0.047 | 0.024 | 21.856 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 34 | TYR | 0 | -0.062 | -0.049 | 24.672 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 35 | GLY | 0 | 0.063 | 0.019 | 26.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 36 | GLN | 0 | -0.014 | 0.006 | 29.588 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 37 | HIS | 1 | 0.870 | 0.925 | 24.985 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 38 | THR | 0 | -0.062 | -0.003 | 21.082 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 39 | VAL | 0 | 0.050 | 0.009 | 19.235 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 40 | THR | 0 | -0.063 | -0.042 | 14.209 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 41 | LEU | 0 | -0.011 | -0.006 | 14.541 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 42 | GLU | -1 | -0.903 | -0.944 | 8.084 | -1.219 | -1.219 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 43 | THR | 0 | 0.014 | 0.003 | 9.124 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 44 | GLY | 0 | 0.058 | 0.030 | 6.248 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 45 | MET | 0 | -0.033 | -0.005 | 1.877 | -0.972 | -1.268 | 4.413 | -1.023 | -3.095 | -0.001 |
22 | A | 46 | MET | 0 | -0.025 | -0.022 | 2.733 | -3.135 | -0.802 | 0.698 | -1.346 | -1.685 | -0.018 |
23 | A | 47 | ALA | 0 | 0.006 | -0.002 | 5.253 | 0.214 | 0.243 | -0.001 | 0.000 | -0.028 | 0.000 |
24 | A | 48 | ARG | 1 | 0.981 | 0.979 | 2.204 | -3.504 | -3.633 | 3.755 | -0.747 | -2.879 | 0.003 |
25 | A | 49 | GLN | 0 | -0.027 | -0.014 | 6.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 50 | ALA | 0 | -0.007 | 0.030 | 9.865 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 51 | THR | 0 | 0.001 | -0.005 | 11.325 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 52 | ALA | 0 | 0.027 | 0.022 | 11.468 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 53 | ALA | 0 | -0.031 | -0.003 | 9.266 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 54 | VAL | 0 | -0.006 | -0.001 | 10.326 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 55 | MET | 0 | -0.021 | 0.010 | 10.456 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 56 | VAL | 0 | -0.008 | 0.028 | 12.497 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 57 | SER | 0 | 0.003 | -0.013 | 15.450 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 58 | MET | 0 | 0.008 | 0.009 | 17.442 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 59 | ASP | -1 | -0.783 | -0.883 | 21.120 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 60 | ASP | -1 | -0.908 | -0.947 | 19.459 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 61 | THR | 0 | -0.061 | -0.009 | 19.995 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 62 | ALA | 0 | -0.019 | -0.008 | 15.160 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 63 | VAL | 0 | 0.000 | -0.007 | 16.773 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 64 | PHE | 0 | 0.000 | -0.015 | 8.964 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 65 | VAL | 0 | -0.024 | -0.011 | 13.976 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 66 | THR | 0 | -0.014 | -0.010 | 12.181 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 67 | VAL | 0 | 0.069 | 0.017 | 14.041 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 68 | VAL | 0 | -0.011 | -0.009 | 14.958 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 69 | GLY | 0 | 0.057 | 0.036 | 17.101 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 70 | GLN | 0 | -0.035 | -0.014 | 19.823 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 71 | LYS | 1 | 0.963 | 0.974 | 20.113 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 72 | LYS | 1 | 0.913 | 0.946 | 22.563 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 73 | ALA | 0 | 0.076 | 0.059 | 26.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 74 | LYS | 1 | 0.906 | 0.950 | 28.642 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 75 | PRO | 0 | -0.002 | 0.001 | 31.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 76 | GLY | 0 | 0.120 | 0.074 | 34.604 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 77 | GLN | 0 | -0.104 | -0.074 | 31.371 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 78 | ASP | -1 | -0.763 | -0.866 | 34.883 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 79 | PHE | 0 | -0.059 | -0.062 | 31.810 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 80 | PHE | 0 | 0.041 | 0.036 | 26.097 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 81 | PRO | 0 | -0.063 | -0.015 | 27.537 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 82 | LEU | 0 | -0.011 | 0.019 | 24.352 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 83 | THR | 0 | -0.023 | -0.026 | 24.321 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 84 | VAL | 0 | 0.036 | 0.020 | 22.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 85 | ASN | 0 | -0.045 | -0.032 | 21.350 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 86 | TYR | 0 | 0.040 | 0.027 | 21.416 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 87 | GLN | 0 | -0.065 | -0.045 | 19.166 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 88 | GLU | -1 | -0.837 | -0.931 | 21.074 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 89 | ARG | 1 | 0.846 | 0.935 | 17.121 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 90 | THR | 0 | 0.023 | -0.010 | 21.283 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 91 | TYR | 0 | 0.059 | 0.021 | 15.358 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 92 | ALA | 0 | -0.040 | 0.018 | 19.489 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 93 | ALA | 0 | 0.020 | 0.012 | 20.430 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 94 | GLY | 0 | 0.003 | 0.004 | 22.418 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 95 | ARG | 1 | 0.906 | 0.952 | 23.778 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 96 | ILE | 0 | 0.024 | 0.009 | 24.800 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 97 | PRO | 0 | -0.064 | -0.020 | 25.597 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 98 | GLY | 0 | 0.045 | 0.026 | 28.564 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 106 | ARG | 1 | 0.906 | 1.031 | 24.467 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 107 | PRO | 0 | -0.010 | -0.059 | 26.878 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 108 | SER | 0 | 0.017 | -0.008 | 28.622 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 109 | GLU | -1 | -0.813 | -0.943 | 30.325 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 110 | GLY | 0 | 0.004 | -0.006 | 31.305 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 111 | GLU | -1 | -0.819 | -0.915 | 25.256 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 112 | THR | 0 | -0.032 | -0.014 | 27.438 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 113 | LEU | 0 | -0.026 | -0.013 | 29.553 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 114 | ILE | 0 | 0.044 | 0.021 | 25.680 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 115 | ALA | 0 | -0.015 | 0.005 | 25.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 116 | ARG | 1 | 0.934 | 0.961 | 26.795 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 117 | LEU | 0 | 0.016 | 0.006 | 28.447 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 118 | ILE | 0 | 0.011 | 0.008 | 22.703 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 119 | ASP | -1 | -0.838 | -0.898 | 26.341 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 120 | ARG | 1 | 0.786 | 0.853 | 27.606 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 121 | PRO | 0 | 0.003 | 0.017 | 27.466 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 122 | ILE | 0 | 0.017 | 0.003 | 23.745 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 123 | ARG | 1 | 0.809 | 0.875 | 27.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 124 | PRO | 0 | 0.005 | 0.002 | 29.128 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 125 | LEU | 0 | 0.006 | 0.014 | 27.240 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 126 | PHE | 0 | -0.061 | -0.027 | 23.494 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 127 | PRO | 0 | -0.038 | -0.014 | 27.727 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 128 | GLU | -1 | -0.845 | -0.925 | 30.940 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 129 | GLY | 0 | 0.083 | 0.048 | 33.893 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 130 | PHE | 0 | -0.085 | -0.047 | 24.146 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 131 | VAL | 0 | 0.008 | 0.005 | 30.067 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 132 | ASN | 0 | -0.087 | -0.048 | 24.719 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 133 | GLU | -1 | -0.919 | -0.959 | 24.139 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 134 | VAL | 0 | -0.001 | -0.006 | 21.132 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 135 | GLN | 0 | -0.027 | -0.007 | 19.947 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 136 | VAL | 0 | 0.000 | 0.007 | 18.757 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 137 | ILE | 0 | -0.044 | -0.020 | 16.828 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 138 | ALA | 0 | 0.024 | 0.012 | 16.851 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 139 | THR | 0 | -0.041 | -0.019 | 15.695 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 140 | VAL | 0 | 0.025 | 0.012 | 16.705 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 141 | VAL | 0 | -0.053 | -0.047 | 13.392 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 142 | SER | 0 | -0.014 | -0.019 | 16.517 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 143 | VAL | 0 | 0.024 | -0.005 | 18.643 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 144 | ASN | 0 | 0.089 | 0.052 | 22.247 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 145 | PRO | 0 | -0.048 | -0.049 | 24.550 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 146 | GLN | 0 | 0.054 | 0.027 | 27.646 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 147 | VAL | 0 | -0.017 | -0.005 | 24.342 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 148 | ASN | 0 | 0.035 | 0.031 | 25.215 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 149 | PRO | 0 | 0.069 | 0.016 | 22.144 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 150 | ASP | -1 | -0.765 | -0.850 | 23.023 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 151 | ILE | 0 | 0.060 | 0.007 | 24.624 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 152 | VAL | 0 | -0.024 | -0.002 | 19.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 153 | ALA | 0 | 0.003 | -0.015 | 20.079 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 154 | MET | 0 | -0.062 | -0.017 | 20.833 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 155 | ILE | 0 | 0.016 | 0.012 | 19.675 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 156 | GLY | 0 | 0.019 | -0.019 | 17.575 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 157 | ALA | 0 | 0.003 | -0.005 | 17.491 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 158 | SER | 0 | 0.008 | 0.020 | 19.589 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 159 | ALA | 0 | 0.001 | 0.011 | 16.576 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 160 | ALA | 0 | 0.000 | -0.016 | 14.988 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 161 | LEU | 0 | 0.015 | 0.010 | 15.918 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 162 | SER | 0 | 0.027 | 0.029 | 18.965 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 163 | LEU | 0 | -0.011 | -0.017 | 12.779 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 164 | SER | 0 | -0.030 | -0.039 | 15.281 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 165 | GLY | 0 | 0.003 | 0.004 | 16.268 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 166 | ILE | 0 | -0.050 | -0.017 | 18.559 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 167 | PRO | 0 | 0.000 | -0.011 | 21.242 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 168 | PHE | 0 | 0.028 | 0.009 | 22.803 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 169 | ASN | 0 | -0.036 | -0.007 | 25.021 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 170 | GLY | 0 | -0.011 | 0.039 | 25.078 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 171 | PRO | 0 | -0.081 | -0.054 | 22.598 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 172 | ILE | 0 | 0.043 | -0.001 | 24.434 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 173 | GLY | 0 | 0.037 | 0.020 | 24.849 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 174 | ALA | 0 | -0.042 | -0.036 | 26.065 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 175 | ALA | 0 | -0.023 | 0.001 | 27.750 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 176 | ARG | 1 | 0.816 | 0.887 | 29.337 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 177 | VAL | 0 | -0.050 | -0.025 | 32.455 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 178 | GLY | 0 | 0.034 | 0.021 | 35.883 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 179 | TYR | 0 | -0.046 | -0.026 | 38.175 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 180 | ILE | 0 | 0.070 | 0.033 | 38.946 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 181 | ASN | 0 | -0.038 | -0.016 | 43.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 182 | ASP | -1 | -0.951 | -0.982 | 46.297 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 183 | GLN | 0 | -0.031 | -0.009 | 42.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 184 | TYR | 0 | -0.064 | -0.057 | 39.121 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 185 | VAL | 0 | 0.008 | 0.014 | 35.526 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 186 | LEU | 0 | 0.005 | -0.006 | 29.792 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 187 | ASN | 0 | -0.054 | -0.030 | 28.514 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 188 | PRO | 0 | -0.006 | 0.012 | 31.320 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 189 | THR | 0 | -0.027 | -0.040 | 31.268 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 190 | GLN | 0 | -0.037 | -0.035 | 31.550 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 191 | ASP | -1 | -0.914 | -0.971 | 33.347 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 192 | GLU | -1 | -0.823 | -0.881 | 34.343 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 193 | LEU | 0 | -0.051 | -0.043 | 34.136 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 194 | LYS | 1 | 0.865 | 0.953 | 37.301 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 195 | GLU | -1 | -0.909 | -0.935 | 40.461 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 196 | SER | 0 | -0.029 | -0.005 | 39.458 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 197 | LYS | 1 | 0.914 | 0.958 | 41.650 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 198 | LEU | 0 | -0.065 | -0.056 | 39.435 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 199 | ASP | -1 | -0.833 | -0.888 | 35.355 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 200 | LEU | 0 | 0.021 | -0.001 | 35.912 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 201 | VAL | 0 | -0.029 | -0.009 | 30.631 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 202 | VAL | 0 | 0.019 | 0.029 | 32.791 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 203 | ALA | 0 | 0.000 | -0.007 | 29.081 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 204 | GLY | 0 | 0.051 | 0.030 | 30.211 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 205 | THR | 0 | 0.034 | 0.021 | 29.101 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 206 | GLU | -1 | -0.939 | -0.974 | 30.063 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 207 | ALA | 0 | -0.006 | -0.002 | 31.603 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 208 | ALA | 0 | 0.007 | 0.001 | 33.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 209 | VAL | 0 | -0.016 | 0.013 | 33.628 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 210 | LEU | 0 | 0.013 | -0.006 | 30.418 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 211 | MET | 0 | -0.046 | 0.006 | 30.812 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 212 | VAL | 0 | 0.022 | -0.004 | 34.027 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 213 | GLU | -1 | -0.841 | -0.914 | 34.556 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 214 | SER | 0 | -0.041 | -0.034 | 36.234 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 215 | GLU | -1 | -0.941 | -0.978 | 38.716 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 216 | ALA | 0 | -0.021 | -0.016 | 41.051 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 217 | GLN | 0 | -0.005 | -0.017 | 43.775 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 218 | LEU | 0 | -0.056 | -0.029 | 46.688 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 219 | LEU | 0 | 0.025 | 0.037 | 44.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 220 | SER | 0 | 0.049 | 0.024 | 48.503 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 221 | GLU | -1 | -0.768 | -0.928 | 47.742 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 222 | ASP | -1 | -0.889 | -0.938 | 46.906 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 223 | GLN | 0 | 0.012 | 0.018 | 46.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 224 | MET | 0 | -0.013 | 0.027 | 42.566 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 225 | LEU | 0 | 0.023 | -0.002 | 42.260 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 226 | GLY | 0 | 0.021 | 0.007 | 42.232 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 227 | ALA | 0 | 0.005 | -0.001 | 39.425 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 228 | VAL | 0 | 0.003 | -0.006 | 37.775 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 229 | VAL | 0 | 0.009 | 0.006 | 37.212 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 230 | PHE | 0 | 0.039 | 0.026 | 35.938 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 231 | GLY | 0 | 0.019 | -0.012 | 34.343 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 232 | HIS | 0 | -0.070 | -0.031 | 32.792 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 233 | GLU | -1 | -0.897 | -0.951 | 33.036 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 234 | GLN | 0 | -0.018 | -0.019 | 32.218 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 235 | GLN | 0 | -0.039 | -0.023 | 28.543 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 236 | GLN | 0 | 0.014 | 0.005 | 27.889 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 237 | VAL | 0 | -0.009 | 0.001 | 25.733 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 238 | VAL | 0 | -0.022 | -0.006 | 22.728 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 239 | ILE | 0 | 0.020 | 0.024 | 23.225 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 240 | GLN | 0 | 0.015 | 0.008 | 24.374 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 241 | ASN | 0 | -0.060 | -0.049 | 20.345 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 242 | ILE | 0 | 0.004 | 0.007 | 19.204 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 243 | ASN | 0 | 0.053 | 0.013 | 19.497 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 244 | GLU | -1 | -0.959 | -0.983 | 20.333 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 245 | LEU | 0 | 0.007 | 0.009 | 13.131 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 246 | VAL | 0 | -0.028 | -0.014 | 15.789 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 247 | LYS | 1 | 0.873 | 0.947 | 17.599 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 248 | GLU | -1 | -0.975 | -0.978 | 13.602 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 249 | ALA | 0 | -0.034 | -0.033 | 11.308 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 250 | GLY | 0 | -0.039 | -0.007 | 12.709 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 251 | LYS | 1 | 0.847 | 0.936 | 10.878 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 252 | PRO | 0 | -0.011 | -0.002 | 15.358 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 253 | ARG | 1 | 0.846 | 0.916 | 18.108 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 254 | TRP | 0 | -0.063 | -0.038 | 18.448 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 255 | ASP | -1 | -0.944 | -0.966 | 22.427 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 256 | TRP | 0 | -0.077 | -0.028 | 25.633 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 257 | GLN | 0 | 0.009 | 0.006 | 27.070 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 258 | PRO | 0 | -0.009 | -0.038 | 30.772 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 259 | GLU | -1 | -0.956 | -0.958 | 33.117 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 260 | PRO | 0 | -0.043 | -0.039 | 35.023 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 261 | VAL | 0 | 0.133 | 0.088 | 38.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 262 | ASN | 0 | 0.078 | 0.052 | 41.629 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 263 | GLU | -1 | -0.939 | -0.991 | 44.720 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 264 | ALA | 0 | -0.042 | -0.020 | 46.749 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 265 | LEU | 0 | 0.022 | 0.015 | 48.328 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 266 | ASN | 0 | 0.037 | -0.007 | 46.404 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 267 | ALA | 0 | -0.097 | -0.030 | 49.938 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 268 | ARG | 1 | 0.880 | 0.927 | 52.318 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 269 | VAL | 0 | 0.066 | 0.049 | 51.510 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 270 | ALA | 0 | 0.013 | -0.010 | 53.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 271 | ALA | 0 | -0.027 | -0.006 | 54.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 272 | LEU | 0 | -0.025 | -0.002 | 57.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 273 | ALA | 0 | -0.011 | 0.007 | 56.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 274 | GLU | -1 | -0.913 | -0.959 | 54.403 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 275 | ALA | 0 | -0.002 | -0.006 | 57.186 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 276 | ARG | 1 | 0.896 | 0.923 | 60.690 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 277 | LEU | 0 | 0.033 | 0.008 | 55.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 278 | SER | 0 | -0.007 | -0.008 | 58.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 279 | ASP | -1 | -0.948 | -0.965 | 59.759 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 280 | ALA | 0 | 0.007 | 0.002 | 60.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 281 | TYR | 0 | -0.092 | -0.073 | 55.334 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 282 | ARG | 1 | 0.850 | 0.931 | 60.737 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 283 | ILE | 0 | -0.042 | 0.022 | 63.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 284 | THR | 0 | 0.017 | -0.012 | 64.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 285 | ASP | -1 | -0.905 | -0.938 | 64.719 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 286 | LYS | 1 | 0.996 | 0.996 | 59.746 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 287 | GLN | 0 | -0.078 | -0.054 | 62.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 288 | GLU | -1 | -0.889 | -0.950 | 63.993 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 289 | ARG | 1 | 0.953 | 0.978 | 58.062 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 290 | TYR | 0 | -0.034 | -0.025 | 57.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 291 | ALA | 0 | 0.039 | 0.045 | 60.787 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 292 | GLN | 0 | 0.052 | 0.027 | 63.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 293 | VAL | 0 | -0.017 | -0.014 | 57.034 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 294 | ASP | -1 | -0.860 | -0.942 | 58.273 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 295 | VAL | 0 | -0.070 | 0.000 | 60.026 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 296 | ILE | 0 | -0.077 | -0.032 | 58.708 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 297 | LYS | 1 | 0.903 | 0.949 | 52.664 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 298 | SER | 0 | -0.017 | -0.014 | 57.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 299 | GLU | -1 | -0.877 | -0.936 | 60.011 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 300 | THR | 0 | -0.036 | -0.033 | 56.590 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 301 | ILE | 0 | 0.038 | 0.022 | 54.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 302 | ALA | 0 | -0.012 | -0.012 | 57.260 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 303 | THR | 0 | -0.063 | -0.031 | 60.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 304 | LEU | 0 | 0.019 | 0.012 | 54.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 305 | LEU | 0 | -0.078 | -0.029 | 54.643 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 306 | ALA | 0 | -0.024 | -0.006 | 57.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 307 | GLU | -1 | -1.008 | -1.000 | 58.800 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 308 | ASP | -1 | -0.926 | -0.977 | 53.487 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 309 | GLU | -1 | -0.925 | -0.962 | 55.273 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 310 | THR | 0 | -0.125 | -0.075 | 52.010 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 311 | LEU | 0 | -0.008 | -0.009 | 50.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 312 | ASP | -1 | -0.906 | -0.943 | 46.110 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 313 | GLU | -1 | -0.885 | -0.955 | 49.470 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 314 | ASN | 0 | -0.028 | -0.004 | 45.316 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 315 | GLU | -1 | -0.841 | -0.918 | 44.903 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 316 | LEU | 0 | 0.006 | -0.002 | 47.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 317 | GLY | 0 | -0.050 | -0.037 | 50.505 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 318 | GLU | -1 | -0.984 | -0.989 | 43.166 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 319 | ILE | 0 | -0.004 | 0.011 | 47.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 320 | LEU | 0 | -0.042 | -0.026 | 48.698 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 321 | HIS | 0 | -0.053 | -0.032 | 46.820 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 322 | ALA | 0 | 0.044 | 0.021 | 46.672 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 323 | ILE | 0 | 0.018 | 0.018 | 48.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 324 | GLU | -1 | -0.808 | -0.900 | 51.380 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 325 | LYS | 1 | 0.907 | 0.954 | 47.486 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 326 | ASN | 0 | 0.038 | 0.013 | 49.256 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 327 | VAL | 0 | 0.033 | 0.026 | 50.627 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 328 | VAL | 0 | -0.032 | -0.025 | 52.249 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 329 | ARG | 1 | 0.864 | 0.921 | 44.824 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 330 | SER | 0 | 0.001 | 0.002 | 51.367 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 331 | ARG | 1 | 0.912 | 0.962 | 53.993 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 332 | VAL | 0 | 0.016 | 0.012 | 52.480 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 333 | LEU | 0 | -0.061 | -0.026 | 49.965 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 334 | ALA | 0 | -0.016 | 0.002 | 54.161 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 335 | GLY | 0 | -0.050 | -0.019 | 57.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 336 | GLU | -1 | -0.933 | -0.958 | 58.855 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 337 | PRO | 0 | -0.036 | -0.016 | 58.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 338 | ARG | 1 | 0.719 | 0.822 | 52.725 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 339 | ILE | 0 | 0.014 | -0.002 | 53.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 340 | ASP | -1 | -0.860 | -0.945 | 57.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 341 | GLY | 0 | -0.014 | -0.003 | 59.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 342 | ARG | 1 | 0.722 | 0.861 | 54.294 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 343 | GLU | -1 | -0.799 | -0.903 | 59.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 344 | LYS | 1 | 0.946 | 0.959 | 54.874 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 345 | ASP | -1 | -0.978 | -0.997 | 55.146 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 346 | MET | 0 | -0.019 | 0.019 | 57.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 347 | ILE | 0 | -0.034 | -0.011 | 55.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 348 | ARG | 1 | 0.847 | 0.902 | 52.419 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 349 | GLY | 0 | 0.017 | 0.003 | 58.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 350 | LEU | 0 | -0.023 | -0.015 | 58.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 351 | ASP | -1 | -0.803 | -0.866 | 60.453 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 352 | VAL | 0 | 0.011 | 0.002 | 59.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 353 | ARG | 1 | 0.820 | 0.893 | 61.225 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 354 | THR | 0 | 0.048 | 0.018 | 61.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 355 | GLY | 0 | -0.010 | 0.019 | 62.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 356 | VAL | 0 | -0.022 | -0.010 | 60.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 357 | LEU | 0 | -0.044 | -0.025 | 57.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 358 | PRO | 0 | 0.003 | -0.015 | 61.935 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 359 | ARG | 1 | 0.910 | 0.944 | 61.333 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 360 | THR | 0 | 0.006 | 0.030 | 56.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 361 | HIS | 0 | -0.006 | 0.008 | 56.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 362 | GLY | 0 | 0.095 | 0.061 | 57.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 363 | SER | 0 | -0.069 | -0.015 | 56.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 364 | ALA | 0 | 0.028 | -0.003 | 56.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 365 | LEU | 0 | -0.021 | -0.011 | 57.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 366 | PHE | 0 | 0.015 | 0.013 | 54.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 367 | THR | 0 | -0.003 | -0.007 | 55.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 368 | ARG | 1 | 0.916 | 0.958 | 50.834 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 369 | GLY | 0 | 0.011 | -0.007 | 55.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 370 | GLU | -1 | -0.886 | -0.929 | 55.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 371 | THR | 0 | -0.105 | -0.017 | 51.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 372 | GLN | 0 | -0.007 | -0.010 | 53.146 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 373 | ALA | 0 | -0.025 | -0.017 | 51.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 374 | LEU | 0 | -0.003 | 0.017 | 53.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 375 | VAL | 0 | -0.048 | -0.023 | 51.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 376 | THR | 0 | -0.013 | -0.017 | 52.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 377 | ALA | 0 | 0.001 | 0.007 | 52.314 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 378 | THR | 0 | -0.048 | -0.023 | 51.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 379 | LEU | 0 | 0.012 | -0.025 | 52.492 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 380 | GLY | 0 | 0.038 | 0.004 | 53.410 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 381 | THR | 0 | 0.017 | 0.053 | 50.754 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 395 | ARG | 1 | 0.940 | 0.969 | 43.336 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 396 | THR | 0 | 0.036 | -0.008 | 40.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 397 | ASP | -1 | -0.986 | -0.933 | 40.359 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 398 | THR | 0 | 0.088 | 0.031 | 41.954 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 399 | PHE | 0 | -0.082 | -0.044 | 44.482 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 400 | LEU | 0 | -0.026 | -0.032 | 42.456 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 401 | PHE | 0 | 0.043 | 0.016 | 43.313 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 402 | HIS | 0 | -0.022 | -0.004 | 42.555 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 403 | TYR | 0 | 0.008 | -0.004 | 42.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 404 | ASN | 0 | -0.027 | -0.015 | 43.874 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 405 | PHE | 0 | -0.026 | -0.021 | 43.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 406 | PRO | 0 | -0.010 | 0.003 | 45.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 407 | PRO | 0 | -0.013 | -0.015 | 46.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 408 | TYR | 0 | 0.061 | 0.034 | 47.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 409 | SER | 0 | -0.073 | -0.016 | 48.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 410 | VAL | 0 | 0.007 | -0.011 | 47.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 411 | GLY | 0 | 0.002 | 0.014 | 50.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 412 | GLU | -1 | -0.908 | -0.942 | 46.697 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 413 | THR | 0 | -0.044 | -0.026 | 49.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 414 | GLY | 0 | 0.047 | 0.008 | 45.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 415 | MET | 0 | -0.031 | -0.016 | 40.448 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 416 | VAL | 0 | 0.108 | 0.040 | 44.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 417 | GLY | 0 | 0.036 | 0.016 | 43.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 418 | SER | 0 | -0.055 | -0.015 | 40.504 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 419 | PRO | 0 | -0.011 | 0.014 | 38.945 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 420 | LYS | 1 | 0.939 | 0.950 | 32.339 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 421 | ARG | 1 | 0.910 | 0.969 | 35.673 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 422 | ARG | 1 | 0.927 | 0.946 | 34.497 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 423 | GLU | -1 | -0.868 | -0.942 | 38.800 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 424 | ILE | 0 | 0.064 | 0.039 | 34.349 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 425 | GLY | 0 | -0.015 | -0.016 | 36.694 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 426 | HIS | 0 | 0.014 | 0.006 | 37.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 427 | GLY | 0 | 0.059 | 0.030 | 40.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 428 | ARG | 1 | 0.883 | 0.959 | 35.042 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 429 | LEU | 0 | 0.047 | 0.030 | 39.599 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 430 | ALA | 0 | 0.046 | 0.010 | 41.152 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 431 | LYS | 1 | 0.866 | 0.945 | 40.522 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 432 | ARG | 1 | 0.919 | 0.961 | 35.026 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 433 | GLY | 0 | 0.007 | 0.007 | 42.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 434 | VAL | 0 | 0.008 | 0.006 | 46.030 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 435 | LEU | 0 | -0.031 | -0.019 | 41.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 436 | ALA | 0 | 0.012 | 0.015 | 46.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 437 | VAL | 0 | -0.022 | 0.009 | 48.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 438 | MET | 0 | -0.015 | 0.013 | 48.112 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 439 | PRO | 0 | -0.016 | -0.002 | 50.842 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 440 | ASP | -1 | -0.819 | -0.934 | 50.601 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 441 | MET | 0 | -0.101 | -0.006 | 48.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 442 | ASP | -1 | -0.869 | -0.954 | 51.323 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 443 | LYS | 1 | 0.853 | 0.937 | 54.009 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 444 | PHE | 0 | 0.008 | -0.026 | 53.791 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 445 | PRO | 0 | 0.039 | 0.029 | 53.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 446 | TYR | 0 | -0.042 | -0.027 | 53.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 447 | THR | 0 | -0.049 | -0.031 | 47.618 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 448 | VAL | 0 | 0.012 | -0.003 | 49.124 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 449 | ARG | 1 | 0.926 | 0.964 | 45.585 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 450 | VAL | 0 | 0.023 | 0.006 | 48.046 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 451 | VAL | 0 | -0.041 | -0.021 | 47.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 452 | SER | 0 | 0.021 | 0.010 | 47.812 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 453 | GLU | -1 | -0.878 | -0.933 | 48.340 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 454 | ILE | 0 | -0.068 | -0.029 | 47.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 455 | THR | 0 | -0.023 | -0.021 | 50.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 456 | GLU | -1 | -0.874 | -0.940 | 52.629 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 457 | SER | 0 | -0.068 | -0.054 | 47.325 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 458 | ASN | 0 | 0.130 | 0.044 | 50.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 459 | GLY | 0 | 0.083 | 0.047 | 49.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 460 | SER | 0 | -0.005 | 0.001 | 46.107 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 461 | SER | 0 | 0.085 | 0.044 | 46.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 462 | SER | 0 | 0.034 | 0.016 | 43.541 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 463 | MET | 0 | -0.024 | 0.019 | 45.062 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 464 | ALA | 0 | 0.021 | 0.016 | 48.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 465 | SER | 0 | -0.034 | -0.034 | 47.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 466 | VAL | 0 | -0.011 | 0.007 | 47.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 467 | CYS | 0 | -0.023 | 0.016 | 49.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 468 | GLY | 0 | 0.049 | 0.026 | 53.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 469 | ALA | 0 | 0.010 | 0.003 | 50.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 470 | SER | 0 | -0.002 | 0.007 | 52.321 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 471 | LEU | 0 | -0.014 | -0.014 | 54.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 472 | ALA | 0 | 0.024 | 0.016 | 54.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 473 | LEU | 0 | -0.010 | -0.017 | 51.347 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 474 | MET | 0 | -0.029 | -0.002 | 55.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 475 | ASP | -1 | -0.835 | -0.931 | 59.134 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 476 | ALA | 0 | -0.015 | -0.007 | 57.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 477 | GLY | 0 | -0.061 | -0.014 | 59.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 478 | VAL | 0 | -0.059 | -0.032 | 53.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 479 | PRO | 0 | 0.002 | 0.015 | 56.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 480 | ILE | 0 | -0.052 | -0.054 | 54.056 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 481 | LYS | 1 | 0.853 | 0.922 | 50.860 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 482 | ALA | 0 | 0.022 | 0.004 | 55.470 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 483 | ALA | 0 | 0.033 | 0.031 | 55.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 484 | VAL | 0 | -0.017 | -0.020 | 50.292 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 485 | ALA | 0 | 0.027 | -0.006 | 52.828 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 486 | GLY | 0 | 0.015 | -0.018 | 49.402 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 487 | ILE | 0 | -0.026 | -0.010 | 49.150 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 488 | ALA | 0 | -0.033 | -0.029 | 46.609 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 489 | MET | 0 | -0.050 | 0.002 | 46.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 490 | GLY | 0 | 0.082 | 0.035 | 45.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 491 | LEU | 0 | -0.074 | -0.019 | 45.107 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 492 | VAL | 0 | 0.052 | 0.037 | 45.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 493 | LYS | 1 | 0.868 | 0.910 | 44.340 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 494 | GLU | -1 | -0.895 | -0.945 | 46.349 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 495 | GLY | 0 | -0.004 | 0.010 | 46.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 496 | ASP | -1 | -0.931 | -0.983 | 47.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 497 | ASN | 0 | -0.062 | -0.023 | 49.961 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 498 | TYR | 0 | 0.000 | -0.012 | 48.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 499 | VAL | 0 | 0.016 | 0.012 | 50.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 500 | VAL | 0 | -0.035 | -0.005 | 49.588 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 501 | LEU | 0 | 0.011 | 0.001 | 49.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 502 | SER | 0 | 0.048 | -0.001 | 50.515 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 503 | ASP | -1 | -0.814 | -0.909 | 51.487 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 504 | ILE | 0 | 0.003 | 0.020 | 45.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 505 | LEU | 0 | -0.026 | -0.016 | 50.060 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 506 | GLY | 0 | 0.001 | -0.004 | 47.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 507 | ASP | -1 | -0.907 | -0.958 | 47.219 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 508 | GLU | -1 | -0.771 | -0.868 | 48.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 509 | ASP | -1 | -0.953 | -0.971 | 42.211 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 510 | HIS | 0 | -0.002 | 0.003 | 43.741 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 511 | LEU | 0 | -0.047 | -0.031 | 44.870 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 512 | GLY | 0 | 0.017 | 0.004 | 43.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 513 | ASP | -1 | -0.852 | -0.913 | 41.491 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 514 | MET | 0 | 0.010 | 0.006 | 40.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 515 | ASP | -1 | -0.861 | -0.918 | 40.461 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 516 | PHE | 0 | -0.016 | -0.015 | 41.202 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 517 | LYS | 1 | 0.861 | 0.930 | 40.763 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 518 | VAL | 0 | 0.020 | 0.015 | 44.065 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 519 | ALA | 0 | 0.021 | -0.005 | 46.604 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 520 | GLY | 0 | 0.050 | 0.035 | 47.985 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 521 | SER | 0 | 0.048 | 0.044 | 50.575 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 522 | ARG | 1 | 0.911 | 0.915 | 54.101 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 523 | ASP | -1 | -0.960 | -0.975 | 55.130 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 524 | GLY | 0 | -0.019 | 0.004 | 51.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 525 | ILE | 0 | -0.098 | -0.050 | 45.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 526 | SER | 0 | -0.031 | -0.053 | 46.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 527 | ALA | 0 | -0.010 | 0.004 | 42.972 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 528 | LEU | 0 | 0.015 | 0.011 | 41.557 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 529 | GLN | 0 | -0.105 | -0.049 | 37.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 530 | MET | 0 | -0.005 | -0.033 | 38.368 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 531 | ASP | -1 | -0.764 | -0.866 | 35.167 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 532 | ILE | 0 | -0.023 | -0.009 | 36.580 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 533 | LYS | 1 | 0.910 | 0.968 | 35.703 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 534 | ILE | 0 | -0.015 | 0.003 | 36.898 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 535 | GLU | -1 | -0.868 | -0.943 | 35.432 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 536 | GLY | 0 | -0.051 | -0.023 | 38.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 537 | ILE | 0 | -0.033 | -0.038 | 40.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 538 | THR | 0 | 0.103 | 0.051 | 41.729 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 539 | LYS | 1 | 0.950 | 0.956 | 42.970 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 540 | GLU | -1 | -0.845 | -0.926 | 44.301 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 541 | ILE | 0 | -0.005 | 0.012 | 45.941 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 542 | MET | 0 | 0.009 | 0.010 | 41.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 543 | GLN | 0 | -0.006 | 0.004 | 45.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 544 | VAL | 0 | -0.037 | -0.008 | 48.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 545 | ALA | 0 | 0.028 | 0.007 | 47.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 546 | LEU | 0 | 0.009 | -0.010 | 45.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 547 | ASN | 0 | -0.005 | 0.012 | 49.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 548 | GLN | 0 | -0.014 | -0.008 | 52.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 549 | ALA | 0 | 0.012 | -0.004 | 49.662 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 550 | LYS | 1 | 0.931 | 0.972 | 51.655 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 551 | GLY | 0 | -0.006 | -0.002 | 53.450 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 552 | ALA | 0 | 0.050 | 0.018 | 53.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 553 | ARG | 1 | 0.857 | 0.947 | 51.132 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 554 | LEU | 0 | -0.011 | -0.016 | 54.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 555 | HIS | 0 | 0.011 | 0.016 | 57.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 556 | ILE | 0 | -0.006 | -0.013 | 54.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 557 | LEU | 0 | -0.010 | -0.018 | 55.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 558 | GLY | 0 | -0.049 | -0.014 | 58.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 559 | VAL | 0 | 0.011 | 0.012 | 61.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 560 | MET | 0 | -0.050 | -0.023 | 55.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 561 | GLU | -1 | -0.913 | -0.959 | 60.613 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 562 | GLN | 0 | -0.024 | 0.003 | 63.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 563 | ALA | 0 | -0.019 | 0.004 | 63.223 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 564 | ILE | 0 | -0.057 | -0.012 | 60.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 565 | ASN | 0 | -0.035 | -0.027 | 64.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |