![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 2LN9R
Calculation Name: 2OCA-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2OCA
Chain ID: A
UniProt ID: P20703
Base Structure: X-ray
Registration Date: 2023-09-27
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 | 494 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9554241.761739 |
---|---|
FMO2-HF: Nuclear repulsion | 9355820.660695 |
FMO2-HF: Total energy | -198421.101043 |
FMO2-MP2: Total energy | -199004.179968 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F040520/ligand_interaction/ligand_F040520.png)
Ligand Interaction
![ligand interaction](./Kdata/F040520/ligand_interaction/ligand_interaction_F040520.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1: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. |
-9.918 | -5.696 | 14.976 | -6.202 | -12.995 | -0.041 |
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 | ILE | 0 | -0.013 | -0.006 | 2.523 | 0.251 | 2.612 | 0.185 | -1.119 | -1.427 | -0.002 |
4 | A | 4 | LYS | 1 | 0.958 | 0.986 | 3.042 | -4.289 | -2.222 | 0.260 | -0.879 | -1.448 | -0.006 |
5 | A | 5 | VAL | 0 | -0.024 | -0.013 | 4.826 | 0.433 | 0.506 | -0.001 | -0.005 | -0.066 | 0.000 |
6 | A | 6 | HIS | 0 | 0.050 | 0.007 | 7.696 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | PHE | 0 | 0.034 | 0.020 | 10.497 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | HIS | 0 | -0.052 | -0.013 | 13.860 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ASP | -1 | -0.766 | -0.865 | 16.602 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | PHE | 0 | 0.027 | 0.004 | 18.647 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | SER | 0 | -0.170 | -0.096 | 20.949 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | HIS | 0 | -0.045 | -0.025 | 17.671 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | VAL | 0 | 0.036 | 0.041 | 12.495 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | ARG | 1 | 0.927 | 0.953 | 11.766 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ILE | 0 | -0.041 | -0.027 | 8.860 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ASP | -1 | -0.947 | -0.966 | 7.281 | -1.384 | -1.384 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | CYS | 0 | -0.039 | -0.026 | 6.757 | -0.696 | -0.696 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | GLU | -1 | -0.833 | -0.899 | 7.897 | -1.104 | -1.104 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | GLU | -1 | -0.922 | -0.972 | 10.178 | -0.584 | -0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | SER | 0 | 0.018 | 0.003 | 12.350 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | THR | 0 | 0.092 | 0.043 | 7.666 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | PHE | 0 | -0.034 | -0.037 | 10.974 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | HIS | 0 | -0.021 | -0.027 | 12.994 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLU | -1 | -0.819 | -0.852 | 12.319 | -1.039 | -1.039 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | LEU | 0 | 0.005 | -0.005 | 9.577 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | ARG | 1 | 0.857 | 0.927 | 13.858 | 0.648 | 0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | ASP | -1 | -0.882 | -0.950 | 17.171 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | PHE | 0 | -0.032 | 0.029 | 15.039 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | PHE | 0 | -0.003 | -0.014 | 13.361 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | SER | 0 | -0.025 | -0.045 | 18.566 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | PHE | 0 | -0.067 | -0.053 | 22.114 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLU | -1 | -0.915 | -0.953 | 25.455 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | ALA | 0 | -0.031 | -0.016 | 29.015 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ASP | -1 | -0.881 | -0.945 | 31.203 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | GLY | 0 | 0.007 | -0.004 | 34.498 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | TYR | 0 | -0.029 | -0.010 | 33.506 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | ARG | 1 | 0.976 | 0.993 | 35.553 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | PHE | 0 | -0.013 | -0.020 | 38.547 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | ASN | 0 | 0.016 | 0.030 | 35.686 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | PRO | 0 | 0.062 | 0.024 | 38.348 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ARG | 1 | 0.932 | 0.956 | 30.301 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | PHE | 0 | -0.049 | -0.018 | 33.862 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ARG | 1 | 0.876 | 0.931 | 36.139 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | TYR | 0 | 0.012 | 0.010 | 39.480 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | GLY | 0 | -0.009 | 0.017 | 36.565 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ASN | 0 | 0.071 | 0.035 | 31.516 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | TRP | 0 | -0.092 | -0.039 | 28.708 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ASP | -1 | -0.754 | -0.886 | 26.945 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLY | 0 | 0.008 | -0.001 | 30.553 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ARG | 1 | 0.923 | 0.959 | 23.355 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ILE | 0 | -0.068 | -0.034 | 25.403 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ARG | 1 | 0.865 | 0.922 | 21.165 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | LEU | 0 | -0.039 | -0.021 | 20.300 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | LEU | 0 | 0.024 | 0.039 | 14.073 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ASP | -1 | -0.846 | -0.918 | 18.483 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | TYR | 0 | 0.007 | -0.003 | 18.119 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | ASN | 0 | -0.014 | 0.001 | 17.830 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | ARG | 1 | 0.911 | 0.948 | 13.135 | 0.869 | 0.869 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | LEU | 0 | -0.020 | 0.015 | 14.274 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | LEU | 0 | 0.012 | 0.004 | 13.539 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | PRO | 0 | -0.025 | 0.000 | 16.512 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | PHE | 0 | 0.035 | -0.010 | 16.575 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLY | 0 | -0.041 | -0.020 | 16.833 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LEU | 0 | -0.025 | -0.026 | 17.054 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | VAL | 0 | 0.078 | 0.056 | 11.572 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | GLY | 0 | -0.040 | -0.019 | 12.505 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLN | 0 | -0.054 | -0.041 | 14.474 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | ILE | 0 | 0.030 | 0.017 | 8.202 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | LYS | 1 | 0.969 | 0.983 | 10.117 | 0.550 | 0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | LYS | 1 | 1.001 | 1.004 | 11.127 | 0.549 | 0.549 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | PHE | 0 | 0.009 | 0.008 | 9.161 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | CYS | 0 | -0.019 | -0.011 | 7.185 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | ASP | -1 | -0.907 | -0.948 | 9.363 | -0.734 | -0.734 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ASN | 0 | -0.155 | -0.083 | 12.223 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | PHE | 0 | -0.015 | -0.003 | 11.152 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | GLY | 0 | -0.018 | 0.017 | 10.460 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | TYR | 0 | -0.067 | -0.067 | 5.727 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | LYS | 1 | 0.910 | 0.940 | 2.954 | -1.093 | -0.095 | 0.119 | -0.303 | -0.814 | 0.000 |
79 | A | 79 | ALA | 0 | 0.034 | 0.000 | 2.164 | -3.412 | -4.303 | 6.732 | -2.517 | -3.324 | -0.026 |
80 | A | 80 | TRP | 0 | -0.025 | -0.004 | 2.075 | -1.675 | -1.620 | 7.569 | -2.106 | -5.518 | -0.007 |
81 | A | 81 | ILE | 0 | -0.022 | -0.025 | 3.172 | 0.707 | 0.266 | 0.112 | 0.727 | -0.398 | 0.000 |
82 | A | 82 | ASP | -1 | -0.800 | -0.904 | 6.837 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | PRO | 0 | 0.046 | 0.019 | 8.820 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | GLN | 0 | -0.021 | -0.007 | 11.139 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ILE | 0 | -0.071 | -0.034 | 10.596 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ASN | 0 | -0.144 | -0.085 | 11.126 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | GLU | -1 | -0.803 | -0.889 | 14.397 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | LYS | 1 | 0.802 | 0.900 | 16.946 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | GLU | -1 | -0.785 | -0.868 | 20.189 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLU | -1 | -0.933 | -0.952 | 23.311 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | LEU | 0 | -0.022 | -0.012 | 25.075 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | SER | 0 | -0.019 | 0.003 | 27.172 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | ARG | 1 | 0.852 | 0.896 | 28.764 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | LYS | 1 | 0.981 | 0.983 | 30.912 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASP | -1 | -0.837 | -0.916 | 31.421 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | PHE | 0 | -0.003 | 0.005 | 31.565 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | ASP | -1 | -0.856 | -0.944 | 33.546 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | GLU | -1 | -0.958 | -0.974 | 36.500 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | TRP | 0 | -0.057 | -0.042 | 35.828 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LEU | 0 | -0.008 | -0.024 | 36.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | SER | 0 | -0.098 | -0.045 | 39.010 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | LYS | 1 | 0.866 | 0.940 | 39.959 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LEU | 0 | 0.018 | 0.029 | 38.982 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | GLU | -1 | -1.003 | -1.006 | 43.406 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ILE | 0 | 0.022 | 0.019 | 41.712 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | TYR | 0 | -0.070 | -0.059 | 46.132 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | SER | 0 | 0.039 | 0.034 | 48.292 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | GLY | 0 | 0.045 | 0.028 | 50.722 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | ASN | 0 | -0.033 | -0.040 | 53.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | LYS | 1 | 0.852 | 0.937 | 52.364 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ARG | 1 | 0.998 | 1.021 | 46.860 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | ILE | 0 | -0.122 | -0.081 | 46.187 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | GLU | -1 | -0.872 | -0.948 | 43.328 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | PRO | 0 | 0.003 | 0.023 | 39.790 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | HIS | 0 | -0.030 | -0.026 | 40.847 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | TRP | 0 | -0.004 | -0.008 | 34.686 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | TYR | 0 | 0.000 | 0.013 | 35.722 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | GLN | 0 | -0.030 | -0.021 | 35.183 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | LYS | 1 | 0.967 | 0.991 | 35.202 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ASP | -1 | -0.808 | -0.897 | 31.753 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | ALA | 0 | -0.042 | -0.016 | 30.509 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | VAL | 0 | -0.013 | 0.002 | 30.292 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | PHE | 0 | 0.017 | 0.015 | 27.467 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | GLU | -1 | -0.883 | -0.950 | 25.260 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | GLY | 0 | -0.052 | -0.032 | 25.524 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | LEU | 0 | 0.001 | -0.026 | 25.833 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | VAL | 0 | 0.054 | 0.033 | 22.496 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ASN | 0 | -0.029 | -0.028 | 21.060 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | ARG | 1 | 0.827 | 0.934 | 20.502 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ARG | 1 | 0.892 | 0.946 | 18.942 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ARG | 1 | 0.891 | 0.938 | 19.740 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ILE | 0 | 0.010 | 0.021 | 25.117 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | LEU | 0 | -0.004 | -0.011 | 27.803 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | ASN | 0 | 0.001 | -0.012 | 30.524 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | LEU | 0 | 0.014 | -0.013 | 32.302 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | PRO | 0 | -0.008 | 0.006 | 35.819 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | THR | 0 | 0.092 | 0.042 | 39.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | SER | 0 | -0.053 | -0.005 | 41.748 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ALA | 0 | 0.001 | -0.033 | 39.604 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | GLY | 0 | 0.033 | 0.013 | 40.197 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | ARG | 1 | 0.858 | 0.905 | 36.373 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | SER | 0 | 0.024 | 0.027 | 38.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | LEU | 0 | 0.027 | 0.010 | 40.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | ILE | 0 | -0.017 | 0.001 | 34.404 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | GLN | 0 | 0.018 | -0.015 | 35.529 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | 0.019 | 0.020 | 36.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | LEU | 0 | -0.007 | -0.009 | 36.389 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | LEU | 0 | -0.022 | -0.004 | 30.521 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | ALA | 0 | 0.018 | -0.002 | 33.452 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ARG | 1 | 0.831 | 0.911 | 35.642 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | TYR | 0 | 0.030 | 0.011 | 28.857 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | TYR | 0 | 0.018 | 0.010 | 28.988 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | LEU | 0 | -0.013 | -0.019 | 32.872 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | GLU | -1 | -0.853 | -0.917 | 36.072 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | ASN | 0 | -0.068 | -0.026 | 31.099 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | TYR | 0 | -0.064 | -0.046 | 26.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | GLU | -1 | -0.894 | -0.950 | 32.017 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLY | 0 | -0.044 | 0.008 | 32.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | LYS | 1 | 0.882 | 0.949 | 33.207 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ILE | 0 | -0.012 | -0.011 | 33.237 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | -0.048 | -0.018 | 33.056 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ILE | 0 | -0.009 | -0.012 | 34.137 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ILE | 0 | -0.001 | -0.012 | 33.549 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | VAL | 0 | 0.012 | 0.009 | 37.008 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | PRO | 0 | 0.010 | 0.001 | 39.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | THR | 0 | 0.028 | 0.005 | 41.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | THR | 0 | 0.041 | 0.004 | 44.642 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | ALA | 0 | 0.042 | 0.024 | 46.835 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | LEU | 0 | 0.041 | 0.012 | 43.031 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | THR | 0 | -0.029 | -0.012 | 43.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | THR | 0 | 0.020 | -0.002 | 44.785 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLN | 0 | -0.055 | -0.009 | 46.409 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | MET | 0 | -0.016 | 0.003 | 39.204 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | ALA | 0 | -0.017 | -0.009 | 44.287 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ASP | -1 | -0.870 | -0.952 | 45.815 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | ASP | -1 | -0.837 | -0.924 | 45.173 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | PHE | 0 | -0.053 | -0.032 | 38.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | VAL | 0 | -0.026 | -0.016 | 44.729 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | ASP | -1 | -0.898 | -0.929 | 47.928 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | TYR | 0 | -0.036 | -0.038 | 43.293 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | ARG | 1 | 0.889 | 0.950 | 46.797 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | LEU | 0 | 0.011 | 0.014 | 40.844 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | PHE | 0 | -0.010 | -0.009 | 38.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | SER | 0 | 0.060 | 0.032 | 44.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | HIS | 0 | 0.108 | 0.031 | 46.746 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | ALA | 0 | -0.030 | 0.009 | 47.934 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | MET | 0 | -0.037 | -0.018 | 42.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ILE | 0 | 0.032 | 0.017 | 42.901 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | LYS | 1 | 0.905 | 0.967 | 42.913 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LYS | 1 | 0.843 | 0.933 | 43.097 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ILE | 0 | -0.016 | -0.014 | 40.190 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | GLY | 0 | 0.012 | 0.000 | 44.679 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | GLY | 0 | -0.011 | -0.029 | 46.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | GLY | 0 | 0.000 | 0.005 | 47.259 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | ALA | 0 | -0.036 | 0.004 | 47.991 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | SER | 0 | 0.006 | -0.001 | 49.325 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LYS | 1 | 0.945 | 0.949 | 52.118 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ASP | -1 | -0.859 | -0.938 | 52.403 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | ASP | -1 | -0.687 | -0.846 | 47.765 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.840 | 0.923 | 48.008 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | TYR | 0 | 0.035 | 0.012 | 49.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | LYS | 1 | 0.829 | 0.923 | 46.202 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | ASN | 0 | -0.037 | -0.029 | 44.407 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ASP | -1 | -0.858 | -0.925 | 42.349 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ALA | 0 | -0.080 | -0.019 | 42.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | PRO | 0 | 0.028 | 0.020 | 38.604 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | VAL | 0 | 0.030 | 0.026 | 37.808 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | VAL | 0 | -0.004 | 0.008 | 38.128 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | VAL | 0 | 0.029 | 0.016 | 38.638 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | GLY | 0 | 0.035 | 0.004 | 39.906 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | THR | 0 | -0.006 | 0.014 | 39.873 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | TRP | 0 | 0.070 | 0.017 | 31.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | GLN | 0 | -0.010 | -0.012 | 38.237 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | THR | 0 | -0.021 | -0.010 | 41.064 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | VAL | 0 | 0.034 | 0.021 | 35.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | VAL | 0 | -0.003 | -0.012 | 35.123 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | LYS | 1 | 0.881 | 0.954 | 37.058 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | GLN | 0 | -0.051 | -0.006 | 36.750 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | PRO | 0 | 0.045 | 0.027 | 36.355 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | LYS | 1 | 1.001 | 0.977 | 26.842 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLU | -1 | -0.874 | -0.943 | 32.210 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | TRP | 0 | 0.002 | 0.018 | 33.633 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | PHE | 0 | -0.029 | -0.040 | 30.754 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | SER | 0 | 0.010 | 0.009 | 29.897 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | GLN | 0 | -0.007 | 0.005 | 30.764 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | PHE | 0 | -0.035 | -0.014 | 31.264 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | GLY | 0 | 0.052 | 0.035 | 28.723 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | MET | 0 | -0.061 | -0.024 | 28.160 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | MET | 0 | -0.016 | -0.002 | 29.266 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | MET | 0 | -0.032 | -0.009 | 30.136 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ASN | 0 | -0.002 | -0.005 | 32.261 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ASP | -1 | -0.814 | -0.905 | 33.805 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLU | -1 | -0.856 | -0.937 | 36.534 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | CYS | 0 | -0.002 | -0.003 | 31.762 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | HIS | 0 | 0.040 | 0.070 | 33.425 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | LEU | 0 | -0.019 | -0.020 | 34.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | ALA | 0 | -0.008 | 0.008 | 32.769 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | THR | 0 | 0.037 | 0.016 | 33.541 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | GLY | 0 | 0.110 | 0.039 | 30.121 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | LYS | 1 | 0.937 | 0.977 | 30.361 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | SER | 0 | -0.002 | -0.009 | 32.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ILE | 0 | 0.027 | 0.013 | 27.218 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | SER | 0 | -0.020 | -0.027 | 27.527 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | SER | 0 | -0.047 | -0.010 | 28.579 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ILE | 0 | 0.043 | 0.025 | 29.685 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | ILE | 0 | -0.023 | -0.001 | 23.444 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | SER | 0 | 0.022 | -0.016 | 24.838 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | GLY | 0 | -0.055 | -0.017 | 25.873 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | LEU | 0 | -0.030 | -0.007 | 26.753 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | ASN | 0 | 0.060 | 0.016 | 23.909 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ASN | 0 | 0.054 | 0.022 | 23.569 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | CYS | 0 | -0.068 | -0.016 | 25.766 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | MET | 0 | 0.019 | 0.016 | 22.489 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | PHE | 0 | -0.011 | 0.008 | 23.606 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | LYS | 1 | 0.900 | 0.952 | 23.381 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | PHE | 0 | 0.024 | 0.014 | 26.399 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | GLY | 0 | 0.014 | 0.029 | 28.940 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | LEU | 0 | -0.024 | -0.027 | 30.554 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | SER | 0 | -0.006 | -0.049 | 33.326 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | GLY | 0 | 0.017 | 0.019 | 34.361 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | SER | 0 | 0.006 | -0.003 | 35.968 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | LEU | 0 | -0.032 | -0.019 | 29.508 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | ARG | 1 | 0.869 | 0.932 | 29.398 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ASP | -1 | -0.843 | -0.901 | 34.671 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | GLY | 0 | -0.070 | -0.038 | 33.509 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | LYS | 1 | 0.885 | 0.952 | 34.340 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ALA | 0 | -0.035 | -0.003 | 29.912 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | ASN | 0 | 0.078 | 0.051 | 26.290 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | ILE | 0 | 0.033 | -0.002 | 25.238 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | MET | 0 | -0.008 | 0.010 | 21.330 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | GLN | 0 | 0.041 | 0.008 | 22.953 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | TYR | 0 | -0.036 | -0.019 | 25.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | VAL | 0 | 0.008 | 0.000 | 20.473 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | GLY | 0 | 0.001 | 0.025 | 20.392 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | MET | 0 | -0.048 | -0.012 | 21.372 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | PHE | 0 | -0.040 | -0.049 | 24.149 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLY | 0 | 0.068 | 0.050 | 20.902 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | GLU | -1 | -0.948 | -0.981 | 18.947 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | ILE | 0 | -0.026 | -0.023 | 22.456 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | PHE | 0 | 0.069 | 0.048 | 25.260 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | LYS | 1 | 0.892 | 0.949 | 27.340 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | PRO | 0 | 0.053 | 0.040 | 30.721 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | VAL | 0 | -0.043 | -0.046 | 32.488 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | THR | 0 | -0.039 | 0.002 | 30.474 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | THR | 0 | 0.008 | -0.016 | 33.740 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | SER | 0 | 0.033 | 0.032 | 34.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 296 | GLU | -1 | -0.858 | -0.927 | 40.645 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 297 | LEU | 0 | 0.009 | 0.012 | 42.614 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 298 | LYS | 1 | 0.894 | 0.971 | 43.523 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 299 | ILE | 0 | 0.001 | 0.013 | 45.175 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 300 | ASN | 0 | -0.007 | -0.023 | 46.772 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 301 | SER | 0 | 0.036 | 0.016 | 49.130 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 302 | ILE | 0 | -0.050 | -0.024 | 51.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 303 | PHE | 0 | 0.001 | -0.009 | 51.249 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 304 | LEU | 0 | 0.037 | 0.016 | 55.846 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 305 | ARG | 1 | 0.839 | 0.938 | 59.429 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 306 | TYR | 0 | -0.050 | -0.043 | 61.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 307 | PRO | 0 | 0.021 | 0.001 | 64.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 308 | ASP | -1 | -0.734 | -0.876 | 65.409 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 309 | GLU | -1 | -0.875 | -0.942 | 67.718 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 310 | PHE | 0 | -0.044 | -0.027 | 67.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 311 | THR | 0 | 0.018 | 0.004 | 65.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 312 | THR | 0 | -0.030 | -0.012 | 68.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 313 | LYS | 1 | 0.899 | 0.961 | 70.737 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 314 | LEU | 0 | -0.032 | -0.003 | 66.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 315 | LYS | 1 | 0.977 | 0.980 | 68.296 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 316 | GLY | 0 | 0.002 | 0.005 | 69.442 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 317 | LYS | 1 | 0.919 | 0.991 | 70.592 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 318 | THR | 0 | 0.050 | 0.018 | 69.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 319 | TYR | 0 | 0.060 | 0.021 | 62.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 320 | GLN | 0 | 0.034 | 0.015 | 67.368 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 321 | GLU | -1 | -0.828 | -0.913 | 69.905 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 322 | GLU | -1 | -0.736 | -0.868 | 64.489 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 323 | ILE | 0 | -0.018 | -0.015 | 64.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 324 | LYS | 1 | 0.886 | 0.940 | 67.787 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 325 | ILE | 0 | 0.011 | 0.002 | 70.648 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 326 | ILE | 0 | -0.022 | -0.006 | 64.733 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 327 | THR | 0 | -0.035 | -0.021 | 67.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 328 | GLY | 0 | 0.013 | 0.017 | 68.247 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 329 | LEU | 0 | -0.026 | -0.008 | 68.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 330 | SER | 0 | 0.032 | 0.012 | 69.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 331 | LYS | 1 | 0.974 | 0.970 | 68.571 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 332 | ARG | 1 | 0.831 | 0.913 | 61.900 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 333 | ASN | 0 | 0.044 | 0.018 | 65.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 334 | LYS | 1 | 0.979 | 0.987 | 66.753 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 335 | TRP | 0 | 0.002 | 0.001 | 57.563 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 336 | ILE | 0 | 0.018 | -0.001 | 61.592 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 337 | ALA | 0 | 0.033 | 0.028 | 62.377 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 338 | LYS | 1 | 0.840 | 0.910 | 63.317 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 339 | LEU | 0 | -0.080 | -0.021 | 56.133 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 340 | ALA | 0 | 0.028 | 0.002 | 59.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 341 | ILE | 0 | 0.053 | 0.020 | 60.213 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 342 | LYS | 1 | 0.930 | 0.975 | 57.556 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 343 | LEU | 0 | -0.084 | -0.054 | 54.220 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 344 | ALA | 0 | 0.018 | 0.027 | 56.667 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 345 | GLN | 0 | -0.004 | -0.029 | 58.888 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 346 | LYS | 1 | 0.841 | 0.949 | 51.454 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 347 | ASP | -1 | -0.860 | -0.927 | 54.919 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 348 | GLU | -1 | -0.936 | -0.986 | 51.112 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 349 | ASN | 0 | -0.051 | -0.057 | 55.223 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 350 | ALA | 0 | -0.015 | -0.017 | 55.510 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 351 | PHE | 0 | 0.043 | 0.014 | 56.970 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 352 | VAL | 0 | -0.030 | -0.003 | 58.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 353 | MET | 0 | -0.023 | 0.001 | 57.995 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 354 | PHE | 0 | 0.035 | 0.019 | 61.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 355 | LYS | 1 | 0.952 | 0.977 | 64.240 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 356 | HIS | 0 | -0.008 | -0.021 | 65.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 357 | VAL | 0 | 0.103 | 0.045 | 69.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 358 | SER | 0 | 0.001 | 0.011 | 71.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 359 | HIS | 0 | -0.026 | -0.005 | 65.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 360 | GLY | 0 | 0.033 | 0.007 | 67.791 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 361 | LYS | 1 | 0.997 | 0.989 | 68.780 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 362 | ALA | 0 | 0.028 | 0.034 | 71.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 363 | ILE | 0 | -0.046 | -0.036 | 65.057 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 364 | PHE | 0 | -0.025 | -0.023 | 68.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 365 | ASP | -1 | -0.842 | -0.930 | 69.466 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 366 | LEU | 0 | -0.114 | -0.049 | 69.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 367 | ILE | 0 | -0.038 | -0.016 | 64.766 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 368 | LYS | 1 | 0.997 | 0.997 | 68.542 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 369 | ASN | 0 | -0.072 | -0.017 | 71.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 370 | GLU | -1 | -0.879 | -0.942 | 68.626 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 371 | TYR | 0 | -0.124 | -0.101 | 62.707 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 372 | ASP | -1 | -0.823 | -0.905 | 68.536 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 373 | LYS | 1 | 0.919 | 0.968 | 63.171 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 374 | VAL | 0 | -0.009 | -0.012 | 65.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 375 | TYR | 0 | 0.013 | -0.002 | 64.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 376 | TYR | 0 | 0.018 | 0.013 | 66.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 377 | VAL | 0 | 0.042 | 0.005 | 65.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 378 | SER | 0 | -0.049 | -0.078 | 66.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 379 | GLY | 0 | 0.008 | 0.035 | 68.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 380 | GLU | -1 | -0.850 | -0.942 | 70.810 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 381 | VAL | 0 | -0.003 | -0.016 | 68.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 382 | ASP | -1 | -0.922 | -0.915 | 67.791 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 383 | THR | 0 | 0.003 | -0.002 | 68.405 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 384 | GLU | -1 | -0.876 | -0.946 | 69.699 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 385 | THR | 0 | -0.027 | -0.020 | 64.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 386 | ARG | 1 | 0.933 | 0.932 | 63.787 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 387 | ASN | 0 | -0.009 | 0.019 | 64.441 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 388 | ILE | 0 | 0.097 | 0.052 | 63.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 389 | MET | 0 | -0.066 | -0.040 | 59.796 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 390 | LYS | 1 | 0.919 | 0.961 | 60.223 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 391 | THR | 0 | 0.069 | 0.047 | 61.423 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 392 | LEU | 0 | -0.077 | -0.023 | 56.178 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 393 | ALA | 0 | -0.059 | -0.061 | 56.713 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 394 | GLU | -1 | -0.938 | -0.948 | 56.669 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 395 | ASN | 0 | -0.020 | -0.043 | 55.090 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 396 | GLY | 0 | 0.019 | 0.046 | 57.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 397 | LYS | 1 | 0.845 | 0.927 | 53.937 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 398 | GLY | 0 | 0.084 | 0.055 | 58.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 399 | ILE | 0 | -0.012 | 0.043 | 59.804 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 400 | ILE | 0 | 0.010 | 0.012 | 60.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 401 | ILE | 0 | 0.016 | 0.002 | 60.536 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 402 | VAL | 0 | -0.028 | -0.016 | 62.119 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 403 | ALA | 0 | 0.070 | 0.025 | 62.686 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 404 | SER | 0 | -0.007 | 0.017 | 63.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 405 | TYR | 0 | -0.034 | -0.055 | 58.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 406 | GLY | 0 | 0.006 | 0.014 | 60.927 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 407 | VAL | 0 | 0.057 | 0.045 | 62.449 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 408 | PHE | 0 | -0.010 | -0.007 | 55.153 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 409 | SER | 0 | -0.101 | -0.033 | 57.874 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 410 | THR | 0 | -0.010 | -0.004 | 58.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 411 | GLY | 0 | 0.032 | 0.016 | 59.919 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 412 | ILE | 0 | -0.046 | 0.002 | 54.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 413 | SER | 0 | 0.004 | -0.049 | 56.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 414 | VAL | 0 | -0.024 | -0.004 | 54.660 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 415 | LYS | 1 | 1.023 | 1.025 | 52.982 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 416 | ASN | 0 | -0.059 | -0.006 | 52.363 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 417 | LEU | 0 | 0.002 | -0.010 | 52.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 418 | HIS | 0 | 0.069 | 0.067 | 50.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 419 | HIS | 0 | 0.031 | 0.019 | 51.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 420 | VAL | 0 | 0.034 | 0.027 | 53.314 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 421 | VAL | 0 | 0.004 | -0.010 | 54.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 422 | LEU | 0 | 0.006 | 0.004 | 54.106 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 423 | ALA | 0 | 0.052 | 0.031 | 58.010 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 424 | HIS | 0 | -0.044 | -0.023 | 61.094 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 425 | GLY | 0 | 0.045 | 0.030 | 58.605 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 426 | VAL | 0 | 0.035 | 0.017 | 55.125 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 427 | LYS | 1 | 0.880 | 0.939 | 57.520 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 428 | SER | 0 | 0.043 | -0.008 | 54.652 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 429 | LYS | 1 | 0.916 | 0.967 | 52.839 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 430 | ILE | 0 | 0.084 | 0.039 | 47.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 431 | ILE | 0 | 0.043 | 0.027 | 50.910 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 432 | VAL | 0 | 0.002 | -0.007 | 52.224 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 433 | LEU | 0 | 0.053 | 0.033 | 47.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 434 | GLN | 0 | 0.039 | 0.034 | 47.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 435 | THR | 0 | -0.061 | -0.023 | 49.619 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 436 | ILE | 0 | 0.017 | 0.002 | 50.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 437 | GLY | 0 | 0.030 | 0.013 | 47.941 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 438 | ARG | 1 | 0.950 | 0.961 | 48.588 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 439 | VAL | 0 | -0.042 | -0.034 | 50.007 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 440 | LEU | 0 | 0.014 | -0.001 | 49.551 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 441 | ARG | 1 | 0.827 | 0.930 | 44.419 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 442 | LYS | 1 | 0.912 | 0.967 | 48.042 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 443 | HIS | 0 | 0.030 | 0.005 | 50.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 444 | GLY | 0 | -0.018 | 0.004 | 51.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 445 | SER | 0 | 0.038 | 0.022 | 45.778 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 446 | LYS | 1 | 0.971 | 0.986 | 46.372 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 447 | THR | 0 | 0.001 | -0.031 | 43.502 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 448 | ILE | 0 | -0.018 | 0.027 | 41.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 449 | ALA | 0 | -0.001 | 0.011 | 45.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 450 | THR | 0 | -0.030 | -0.033 | 47.368 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 451 | VAL | 0 | -0.017 | -0.020 | 48.915 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 452 | TRP | 0 | -0.036 | -0.041 | 50.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 453 | ASP | -1 | -0.773 | -0.852 | 52.047 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 454 | LEU | 0 | -0.014 | -0.009 | 53.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 455 | ILE | 0 | -0.005 | 0.015 | 52.865 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 456 | ASP | -1 | -0.773 | -0.859 | 57.292 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 457 | ASP | -1 | -0.772 | -0.869 | 58.213 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 458 | ALA | 0 | -0.024 | -0.022 | 60.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 459 | GLY | 0 | 0.039 | 0.028 | 61.404 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 460 | VAL | 0 | -0.009 | -0.022 | 62.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 461 | LYS | 1 | 0.863 | 0.932 | 61.631 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 462 | PRO | 0 | -0.010 | -0.017 | 61.185 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 463 | LYS | 1 | 0.984 | 0.993 | 64.319 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 464 | SER | 0 | 0.047 | 0.033 | 65.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 465 | ALA | 0 | 0.069 | 0.028 | 62.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 466 | ASN | 0 | 0.005 | 0.003 | 60.699 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 467 | THR | 0 | -0.045 | -0.015 | 59.989 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 468 | LYS | 1 | 1.015 | 1.013 | 50.736 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 469 | LYS | 1 | 0.959 | 0.971 | 55.342 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 470 | LYS | 1 | 0.985 | 1.007 | 54.598 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 471 | TYR | 0 | -0.083 | -0.096 | 57.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 472 | VAL | 0 | -0.055 | -0.019 | 59.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 473 | HIS | 0 | 0.003 | -0.011 | 62.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 474 | LEU | 0 | 0.041 | 0.017 | 57.435 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 475 | ASN | 0 | 0.004 | 0.020 | 61.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 476 | TYR | 0 | -0.013 | -0.062 | 61.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 477 | LEU | 0 | -0.035 | -0.020 | 60.350 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 478 | LEU | 0 | -0.009 | 0.013 | 56.691 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 479 | LYS | 1 | 0.924 | 0.966 | 56.509 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 480 | HIS | 0 | 0.035 | 0.023 | 55.611 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 481 | GLY | 0 | 0.028 | 0.007 | 54.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 482 | ILE | 0 | -0.031 | -0.018 | 51.512 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 483 | ASP | -1 | -0.825 | -0.898 | 50.852 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 484 | ARG | 1 | 0.762 | 0.848 | 50.408 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 485 | ILE | 0 | -0.031 | -0.012 | 47.050 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 486 | GLN | 0 | -0.019 | -0.005 | 44.015 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 487 | ARG | 1 | 0.915 | 0.959 | 45.442 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 488 | TYR | 0 | -0.029 | -0.033 | 44.849 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 489 | ALA | 0 | -0.006 | 0.009 | 41.826 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 490 | ASP | -1 | -0.875 | -0.930 | 40.563 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 491 | GLU | -1 | -0.947 | -0.988 | 40.354 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 492 | LYS | 1 | 0.900 | 0.958 | 34.830 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 493 | PHE | 0 | -0.002 | -0.007 | 38.965 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 494 | ASN | 0 | 0.044 | 0.028 | 40.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 495 | TYR | 0 | -0.009 | -0.008 | 41.426 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 496 | VAL | 0 | -0.002 | 0.002 | 43.282 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 497 | MET | 0 | -0.004 | 0.005 | 45.374 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 498 | LYS | 1 | 0.937 | 0.974 | 48.611 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 499 | THR | 0 | -0.019 | 0.005 | 51.416 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 500 | VAL | 0 | 0.001 | 0.001 | 54.653 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 501 | ASN | 0 | -0.004 | 0.009 | 57.890 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 502 | LEU | 0 | -0.008 | -0.001 | 61.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 503 | LEU | 0 | 0.005 | 0.003 | 63.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |