![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 499GN
Calculation Name: 4S3P-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4S3P
Chain ID: A
UniProt ID: P15977
Base Structure: X-ray
Registration Date: 2023-06-21
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 | 691 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -17117404.846186 |
---|---|
FMO2-HF: Nuclear repulsion | 16840346.363599 |
FMO2-HF: Total energy | -277058.482587 |
FMO2-MP2: Total energy | -277857.950663 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F025372/ligand_interaction/ligand_F025372.png)
Ligand Interaction
![ligand interaction](./Kdata/F025372/ligand_interaction/ligand_interaction_F025372.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. |
-0.002 | 0.306 | 11.82 | -1.687 | -10.441 | -0.019 |
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 | SER | 0 | 0.039 | -0.004 | 3.154 | -2.652 | -0.268 | 0.085 | -1.248 | -1.221 | -0.001 |
4 | A | 4 | LYS | 1 | 1.025 | 1.021 | 5.311 | 0.899 | 0.899 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | ARG | 1 | 0.900 | 0.956 | 2.287 | -0.019 | -0.127 | 3.319 | -0.759 | -2.452 | 0.005 |
6 | A | 6 | LEU | 0 | 0.023 | 0.008 | 2.256 | -3.015 | -2.899 | 7.840 | -2.535 | -5.422 | -0.018 |
7 | A | 7 | ASP | -1 | -0.867 | -0.936 | 2.948 | 1.844 | -0.982 | 0.168 | 3.121 | -0.463 | -0.003 |
8 | A | 8 | ASN | 0 | -0.041 | -0.024 | 5.243 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ALA | 0 | 0.000 | 0.009 | 2.593 | -0.207 | 0.273 | 0.408 | -0.223 | -0.664 | -0.002 |
10 | A | 10 | ALA | 0 | 0.021 | -0.003 | 4.414 | 0.451 | 0.539 | -0.001 | -0.019 | -0.069 | 0.000 |
11 | A | 11 | LEU | 0 | -0.006 | -0.003 | 6.915 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ALA | 0 | -0.053 | -0.031 | 7.853 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ALA | 0 | 0.003 | 0.013 | 8.422 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLY | 0 | 0.033 | 0.020 | 10.102 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ILE | 0 | -0.018 | 0.002 | 8.912 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | SER | 0 | -0.018 | -0.011 | 11.908 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | PRO | 0 | -0.020 | -0.016 | 11.866 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASN | 0 | -0.057 | -0.038 | 13.312 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | TYR | 0 | 0.045 | 0.023 | 16.872 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ILE | 0 | -0.014 | -0.001 | 20.360 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ASN | 0 | 0.062 | 0.039 | 23.269 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | ALA | 0 | 0.076 | 0.025 | 24.953 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | HIS | 0 | -0.061 | -0.032 | 27.596 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLY | 0 | 0.007 | 0.004 | 28.653 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | LYS | 1 | 0.914 | 0.962 | 25.415 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | PRO | 0 | 0.004 | 0.009 | 21.756 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLN | 0 | -0.006 | 0.002 | 18.813 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | SER | 0 | -0.023 | -0.025 | 14.407 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ILE | 0 | 0.007 | 0.024 | 12.026 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | SER | 0 | 0.038 | 0.026 | 12.101 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ALA | 0 | 0.056 | 0.000 | 6.666 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLU | -1 | -0.854 | -0.924 | 7.290 | -0.804 | -0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | THR | 0 | 0.014 | -0.020 | 9.225 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LYS | 1 | 0.851 | 0.923 | 7.509 | 1.100 | 1.100 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ARG | 1 | 0.924 | 0.963 | 4.942 | 1.402 | 1.402 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ARG | 1 | 0.799 | 0.894 | 6.488 | 0.707 | 0.707 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LEU | 0 | 0.046 | 0.026 | 9.986 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | LEU | 0 | -0.051 | -0.033 | 4.662 | -0.033 | 0.141 | 0.001 | -0.024 | -0.150 | 0.000 |
39 | A | 39 | ASP | -1 | -0.917 | -0.957 | 8.586 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ALA | 0 | -0.049 | -0.016 | 9.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | MET | 0 | -0.056 | 0.008 | 11.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | HIS | 1 | 0.845 | 0.925 | 12.580 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | GLN | 0 | 0.006 | 0.007 | 8.167 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ARG | 1 | 0.977 | 0.985 | 12.749 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | THR | 0 | 0.009 | -0.001 | 10.705 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ALA | 0 | -0.002 | 0.005 | 12.410 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | THR | 0 | 0.026 | -0.004 | 13.596 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | LYS | 1 | 0.918 | 0.948 | 12.228 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | 0.014 | 0.021 | 17.632 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ALA | 0 | 0.023 | 0.000 | 20.596 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | VAL | 0 | -0.052 | -0.018 | 18.257 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | THR | 0 | 0.009 | 0.012 | 21.505 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | PRO | 0 | 0.027 | 0.023 | 23.955 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | VAL | 0 | 0.030 | 0.019 | 26.431 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | PRO | 0 | 0.027 | 0.008 | 22.875 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ASN | 0 | 0.020 | 0.001 | 22.682 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | VAL | 0 | -0.013 | -0.006 | 23.977 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | MET | 0 | -0.020 | -0.006 | 25.408 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | VAL | 0 | 0.019 | 0.023 | 27.514 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | TYR | 0 | 0.004 | -0.019 | 29.625 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | THR | 0 | -0.015 | -0.003 | 32.465 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | SER | 0 | -0.012 | -0.013 | 35.089 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLY | 0 | -0.015 | -0.009 | 38.655 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LYS | 1 | 0.917 | 0.958 | 35.278 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | LYS | 1 | 0.944 | 0.969 | 36.404 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | MET | 0 | 0.019 | 0.013 | 33.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PRO | 0 | -0.013 | 0.007 | 31.095 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | MET | 0 | 0.043 | 0.038 | 29.477 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | VAL | 0 | 0.011 | -0.016 | 26.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | VAL | 0 | 0.003 | 0.012 | 27.651 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | GLU | -1 | -0.916 | -0.948 | 23.247 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | GLY | 0 | 0.016 | 0.008 | 26.306 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | SER | 0 | -0.057 | -0.053 | 27.673 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | 0.037 | 0.038 | 31.223 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | GLU | -1 | -0.885 | -0.935 | 34.323 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | TYR | 0 | 0.027 | 0.020 | 29.547 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | SER | 0 | 0.006 | 0.001 | 35.765 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | TRP | 0 | -0.036 | -0.025 | 35.814 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | LEU | 0 | -0.018 | -0.016 | 37.126 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | LEU | 0 | -0.020 | -0.021 | 36.094 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | THR | 0 | -0.007 | -0.004 | 38.376 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | THR | 0 | -0.042 | -0.040 | 38.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLU | -1 | -0.720 | -0.862 | 39.460 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | GLU | -1 | -0.942 | -0.972 | 40.883 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLY | 0 | 0.036 | 0.034 | 43.494 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | THR | 0 | -0.074 | -0.035 | 44.506 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | GLN | 0 | -0.003 | 0.001 | 43.092 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | TYR | 0 | -0.013 | 0.000 | 41.113 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LYS | 1 | 0.998 | 0.982 | 41.232 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLY | 0 | -0.003 | 0.010 | 40.981 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | HIS | 0 | -0.017 | 0.000 | 39.198 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | VAL | 0 | -0.022 | -0.001 | 34.236 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | THR | 0 | -0.010 | -0.033 | 34.792 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLY | 0 | -0.007 | 0.001 | 30.856 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | GLY | 0 | -0.005 | -0.009 | 28.671 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LYS | 1 | 0.890 | 0.945 | 29.732 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | ALA | 0 | -0.008 | 0.009 | 30.512 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | PHE | 0 | -0.011 | -0.008 | 32.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ASN | 0 | -0.038 | -0.024 | 34.223 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LEU | 0 | 0.034 | 0.032 | 33.537 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | PRO | 0 | -0.009 | 0.001 | 37.339 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | THR | 0 | -0.028 | -0.023 | 40.512 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LYS | 1 | 0.919 | 0.942 | 42.162 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | LEU | 0 | 0.055 | 0.048 | 37.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | PRO | 0 | 0.009 | 0.017 | 41.326 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | GLU | -1 | -0.801 | -0.931 | 39.031 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLY | 0 | -0.031 | -0.012 | 37.727 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | TYR | 0 | -0.084 | -0.083 | 32.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | HIS | 0 | 0.018 | 0.007 | 35.188 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | THR | 0 | 0.011 | 0.004 | 33.744 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | LEU | 0 | -0.019 | 0.002 | 31.512 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | THR | 0 | -0.030 | -0.026 | 32.817 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LEU | 0 | -0.020 | -0.008 | 30.963 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | THR | 0 | -0.028 | -0.020 | 33.420 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | GLN | 0 | -0.031 | -0.014 | 32.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ASP | -1 | -0.925 | -0.954 | 34.331 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ASP | -1 | -0.905 | -0.949 | 34.904 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | GLN | 0 | -0.060 | -0.031 | 30.233 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ARG | 1 | 0.973 | 0.982 | 32.165 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ALA | 0 | -0.011 | 0.006 | 28.127 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | HIS | 0 | 0.007 | -0.010 | 29.005 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | CYS | 0 | -0.016 | 0.011 | 27.593 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | ARG | 1 | 0.823 | 0.905 | 28.846 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | 0.000 | -0.009 | 29.680 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ILE | 0 | 0.008 | 0.013 | 29.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | VAL | 0 | -0.025 | -0.002 | 32.882 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | ALA | 0 | 0.046 | 0.019 | 34.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | PRO | 0 | -0.021 | 0.014 | 35.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | LYS | 1 | 0.887 | 0.942 | 33.536 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ARG | 1 | 0.789 | 0.896 | 36.430 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | CYS | 0 | 0.012 | 0.017 | 36.709 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | TYR | 0 | 0.002 | 0.012 | 39.337 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.832 | -0.926 | 42.885 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | PRO | 0 | 0.049 | 0.028 | 45.611 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLN | 0 | 0.036 | 0.014 | 49.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ALA | 0 | 0.016 | 0.006 | 52.065 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LEU | 0 | 0.022 | 0.006 | 46.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | LEU | 0 | -0.009 | 0.010 | 47.246 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ASN | 0 | -0.077 | -0.036 | 50.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | LYS | 1 | 0.870 | 0.930 | 49.068 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | GLN | 0 | -0.010 | 0.003 | 52.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | LYS | 1 | 0.867 | 0.953 | 50.473 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | LEU | 0 | -0.003 | -0.001 | 50.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | TRP | 0 | -0.056 | -0.047 | 51.658 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | GLY | 0 | 0.100 | 0.051 | 51.018 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | -0.023 | 0.006 | 51.490 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | CYS | 0 | -0.057 | -0.017 | 45.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | VAL | 0 | 0.033 | 0.006 | 48.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | GLN | 0 | 0.069 | 0.048 | 43.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | LEU | 0 | 0.024 | 0.036 | 46.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | TYR | 0 | 0.029 | -0.003 | 44.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | THR | 0 | -0.071 | -0.058 | 48.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | LEU | 0 | -0.011 | 0.001 | 51.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ARG | 1 | 0.908 | 0.975 | 53.804 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | SER | 0 | -0.033 | -0.051 | 57.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | GLU | -1 | -0.933 | -0.979 | 59.957 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LYS | 1 | 0.932 | 0.967 | 60.771 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | ASN | 0 | 0.019 | 0.038 | 55.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | TRP | 0 | 0.003 | -0.018 | 55.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | GLY | 0 | 0.018 | 0.009 | 55.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ILE | 0 | -0.081 | -0.037 | 47.962 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLY | 0 | -0.005 | 0.029 | 52.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ASP | -1 | -0.813 | -0.926 | 50.715 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | PHE | 0 | 0.029 | -0.016 | 46.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLY | 0 | 0.035 | 0.026 | 52.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | ASP | -1 | -0.785 | -0.876 | 54.315 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LEU | 0 | -0.025 | -0.008 | 49.348 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | LYS | 1 | 0.991 | 0.983 | 53.378 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ALA | 0 | -0.035 | -0.014 | 55.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | MET | 0 | 0.004 | 0.008 | 54.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | LEU | 0 | -0.022 | -0.012 | 52.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | VAL | 0 | 0.016 | 0.017 | 55.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASP | -1 | -0.863 | -0.932 | 59.669 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | -0.025 | -0.002 | 54.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ALA | 0 | 0.033 | 0.018 | 57.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LYS | 1 | 0.912 | 0.958 | 58.712 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ARG | 1 | 0.693 | 0.838 | 60.236 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | GLY | 0 | -0.025 | -0.005 | 59.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLY | 0 | -0.006 | 0.003 | 55.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | SER | 0 | -0.005 | -0.040 | 52.240 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | PHE | 0 | -0.022 | -0.020 | 47.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ILE | 0 | 0.035 | 0.017 | 49.202 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLY | 0 | -0.027 | -0.028 | 46.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LEU | 0 | -0.041 | -0.017 | 44.166 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | ASN | 0 | 0.035 | 0.028 | 41.768 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | PRO | 0 | 0.030 | 0.024 | 37.344 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ILE | 0 | -0.025 | -0.011 | 39.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | HIS | 0 | -0.007 | -0.005 | 35.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | 0.031 | 0.017 | 37.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LEU | 0 | -0.014 | -0.009 | 37.276 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | TYR | 0 | 0.048 | 0.002 | 33.824 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | PRO | 0 | -0.003 | -0.003 | 39.920 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ALA | 0 | 0.029 | 0.025 | 41.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ASN | 0 | -0.012 | -0.012 | 37.910 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | PRO | 0 | 0.033 | 0.023 | 41.234 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | GLU | -1 | -0.799 | -0.882 | 42.962 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | SER | 0 | -0.033 | 0.004 | 37.312 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | -0.015 | -0.014 | 39.503 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | SER | 0 | -0.008 | 0.001 | 36.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | PRO | 0 | 0.007 | -0.006 | 37.548 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | TYR | 0 | -0.043 | -0.037 | 33.931 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | SER | 0 | -0.006 | 0.003 | 32.237 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | PRO | 0 | -0.014 | 0.017 | 32.338 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | SER | 0 | 0.056 | 0.033 | 32.643 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | SER | 0 | 0.025 | 0.007 | 32.487 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ARG | 1 | 0.902 | 0.935 | 28.145 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ARG | 1 | 0.899 | 0.958 | 32.418 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | TRP | 0 | 0.024 | 0.029 | 36.121 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | LEU | 0 | 0.004 | -0.005 | 39.026 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASN | 0 | 0.001 | -0.001 | 41.751 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | VAL | 0 | 0.062 | 0.022 | 42.864 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ILE | 0 | 0.011 | 0.025 | 45.574 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | TYR | 0 | -0.018 | -0.020 | 44.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ILE | 0 | -0.007 | 0.016 | 48.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ASP | -1 | -0.847 | -0.936 | 50.930 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | VAL | 0 | 0.031 | -0.005 | 54.351 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | ASN | 0 | -0.021 | 0.001 | 56.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ALA | 0 | -0.051 | -0.005 | 56.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | VAL | 0 | -0.019 | -0.001 | 55.016 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | GLU | -1 | -0.859 | -0.945 | 57.929 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ASP | -1 | -0.754 | -0.893 | 58.364 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | PHE | 0 | -0.039 | -0.022 | 58.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | HIS | 0 | -0.082 | -0.058 | 60.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LEU | 0 | -0.016 | -0.001 | 63.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | SER | 0 | -0.006 | 0.017 | 61.393 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.880 | -0.957 | 63.825 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | GLU | -1 | -0.914 | -0.955 | 60.715 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ALA | 0 | 0.051 | 0.008 | 61.036 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | GLN | 0 | -0.002 | 0.006 | 62.543 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ALA | 0 | -0.012 | -0.005 | 65.758 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | TRP | 0 | 0.008 | -0.001 | 57.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | TRP | 0 | 0.013 | 0.000 | 60.455 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLN | 0 | -0.035 | -0.026 | 63.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LEU | 0 | -0.043 | 0.004 | 63.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | PRO | 0 | 0.021 | 0.008 | 66.185 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | THR | 0 | 0.034 | 0.000 | 63.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | THR | 0 | 0.017 | 0.025 | 60.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | GLN | 0 | 0.001 | -0.011 | 61.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | GLN | 0 | -0.045 | -0.007 | 63.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | THR | 0 | -0.032 | -0.031 | 57.865 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | LEU | 0 | -0.014 | 0.001 | 58.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | GLN | 0 | -0.021 | -0.005 | 59.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | GLN | 0 | 0.048 | 0.023 | 59.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | ALA | 0 | 0.005 | 0.016 | 55.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ARG | 1 | 0.780 | 0.870 | 56.599 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | ASP | -1 | -0.908 | -0.960 | 58.788 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ALA | 0 | -0.026 | 0.001 | 55.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ASP | -1 | -0.879 | -0.956 | 55.705 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | TRP | 0 | -0.069 | -0.052 | 48.710 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | VAL | 0 | -0.012 | -0.011 | 48.888 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ASP | -1 | -0.824 | -0.881 | 49.661 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | TYR | 0 | 0.015 | -0.024 | 45.630 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | SER | 0 | 0.005 | -0.004 | 47.482 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | THR | 0 | -0.022 | -0.032 | 48.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | VAL | 0 | -0.011 | -0.004 | 50.939 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | THR | 0 | -0.026 | -0.019 | 46.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ALA | 0 | 0.005 | 0.001 | 49.765 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | LEU | 0 | -0.031 | -0.007 | 52.017 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | LYS | 1 | 0.860 | 0.911 | 51.060 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | MET | 0 | -0.007 | 0.007 | 47.420 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | THR | 0 | -0.025 | -0.015 | 51.600 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ALA | 0 | 0.008 | 0.003 | 54.831 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | 0.002 | -0.010 | 51.207 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ARG | 1 | 0.854 | 0.937 | 48.928 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | MET | 0 | -0.050 | -0.014 | 54.043 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ALA | 0 | -0.014 | -0.002 | 56.152 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | TRP | 0 | -0.024 | -0.024 | 51.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | LYS | 1 | 0.866 | 0.938 | 55.262 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | GLY | 0 | 0.036 | 0.037 | 57.720 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | PHE | 0 | 0.012 | -0.003 | 53.654 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ALA | 0 | -0.025 | -0.022 | 54.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | GLN | 0 | -0.076 | -0.038 | 56.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ARG | 1 | 0.751 | 0.881 | 58.357 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | ASP | -1 | -0.963 | -0.986 | 58.848 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | ASP | -1 | -0.810 | -0.917 | 59.517 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLU | -1 | -0.913 | -0.971 | 58.665 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLN | 0 | -0.022 | 0.007 | 56.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | MET | 0 | -0.002 | 0.016 | 54.420 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | ALA | 0 | -0.025 | -0.013 | 53.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | ALA | 0 | 0.005 | -0.003 | 52.914 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | PHE | 0 | -0.040 | -0.011 | 47.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ARG | 1 | 0.988 | 0.971 | 48.999 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | GLN | 0 | -0.082 | -0.052 | 48.309 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | PHE | 0 | 0.019 | 0.017 | 44.108 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | VAL | 0 | -0.002 | -0.015 | 43.948 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ALA | 0 | -0.041 | -0.017 | 43.196 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | GLU | -1 | -0.915 | -0.942 | 42.862 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | GLN | 0 | -0.073 | -0.026 | 40.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | GLY | 0 | -0.007 | 0.013 | 38.908 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ASP | -1 | -0.862 | -0.953 | 35.277 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | SER | 0 | -0.049 | -0.017 | 33.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | 0.020 | 0.017 | 35.532 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | PHE | 0 | 0.004 | 0.003 | 37.573 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | TRP | 0 | 0.063 | 0.014 | 34.020 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | GLN | 0 | -0.028 | -0.008 | 36.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | ALA | 0 | -0.009 | -0.009 | 37.502 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | ALA | 0 | 0.011 | -0.005 | 37.896 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | PHE | 0 | -0.023 | -0.004 | 33.489 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ASP | -1 | -0.848 | -0.939 | 37.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | ALA | 0 | -0.036 | -0.013 | 40.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | LEU | 0 | -0.033 | -0.011 | 36.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | HIS | 0 | -0.010 | -0.014 | 38.020 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ALA | 0 | -0.007 | -0.007 | 39.699 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | GLN | 0 | -0.019 | -0.012 | 42.596 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | GLN | 0 | -0.003 | -0.007 | 37.755 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | VAL | 0 | -0.012 | -0.006 | 40.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | LYS | 1 | 0.865 | 0.945 | 42.434 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | GLU | -1 | -0.992 | -0.985 | 41.793 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | ASP | -1 | -0.892 | -0.951 | 39.594 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLU | -1 | -0.923 | -0.950 | 40.777 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | MET | 0 | -0.057 | -0.035 | 37.355 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | ARG | 1 | 0.846 | 0.939 | 36.133 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | TRP | 0 | 0.037 | 0.002 | 29.363 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | GLY | 0 | 0.026 | 0.003 | 33.056 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | TRP | 0 | -0.022 | -0.024 | 25.003 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | PRO | 0 | -0.018 | -0.005 | 27.386 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | ALA | 0 | -0.025 | 0.003 | 29.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | TRP | 0 | -0.044 | -0.004 | 32.205 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | PRO | 0 | 0.046 | 0.020 | 32.104 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | GLU | -1 | -0.891 | -0.955 | 27.780 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | MET | 0 | -0.019 | 0.007 | 30.558 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | TYR | 0 | -0.013 | -0.014 | 32.894 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | GLN | 0 | -0.027 | -0.016 | 27.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | ASN | 0 | -0.001 | 0.002 | 28.618 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | VAL | 0 | 0.043 | 0.027 | 30.010 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | ASP | -1 | -0.888 | -0.937 | 30.218 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | SER | 0 | -0.073 | -0.050 | 32.241 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | PRO | 0 | -0.008 | -0.021 | 33.516 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | GLU | -1 | -0.845 | -0.930 | 35.770 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | VAL | 0 | 0.001 | 0.014 | 34.228 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | ARG | 1 | 0.911 | 0.964 | 35.240 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | GLN | 0 | -0.019 | -0.018 | 38.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | PHE | 0 | -0.022 | -0.019 | 40.260 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | CYS | 0 | -0.056 | -0.030 | 39.159 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | GLU | -1 | -0.944 | -0.972 | 42.239 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | GLU | -1 | -0.952 | -0.950 | 44.942 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | HIS | 1 | 0.860 | 0.928 | 44.717 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ARG | 1 | 0.979 | 1.004 | 44.849 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | ASP | -1 | -0.790 | -0.901 | 46.763 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | ASP | -1 | -0.845 | -0.915 | 46.024 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | VAL | 0 | -0.035 | -0.022 | 42.404 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ASP | -1 | -0.871 | -0.954 | 44.642 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | PHE | 0 | -0.021 | -0.001 | 47.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | TYR | 0 | 0.019 | -0.012 | 43.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | LEU | 0 | -0.035 | -0.012 | 42.347 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | TRP | 0 | 0.008 | 0.007 | 45.245 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | LEU | 0 | -0.008 | -0.006 | 46.293 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | GLN | 0 | 0.020 | -0.002 | 41.862 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | TRP | 0 | 0.026 | 0.028 | 45.254 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | LEU | 0 | 0.010 | 0.019 | 47.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | ALA | 0 | -0.021 | -0.015 | 45.963 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | TYR | 0 | -0.013 | -0.008 | 44.686 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | SER | 0 | 0.012 | -0.002 | 47.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | GLN | 0 | 0.014 | 0.014 | 50.772 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | PHE | 0 | -0.035 | -0.013 | 45.586 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | ALA | 0 | 0.033 | 0.015 | 49.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | ALA | 0 | 0.039 | 0.020 | 50.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | CYS | 0 | -0.109 | -0.039 | 51.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | TRP | 0 | 0.022 | 0.008 | 49.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | GLU | -1 | -0.908 | -0.951 | 51.426 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | ILE | 0 | -0.024 | -0.011 | 54.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | SER | 0 | -0.082 | -0.051 | 52.554 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | GLN | 0 | -0.024 | -0.020 | 52.264 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | GLY | 0 | 0.024 | 0.028 | 55.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | TYR | 0 | -0.098 | -0.054 | 58.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | GLU | -1 | -0.973 | -0.980 | 56.997 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | MET | 0 | -0.067 | -0.004 | 53.566 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 368 | PRO | 0 | -0.060 | -0.035 | 52.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 369 | ILE | 0 | -0.054 | -0.017 | 46.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | GLY | 0 | 0.087 | 0.033 | 49.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | LEU | 0 | -0.019 | -0.009 | 47.132 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | TYR | 0 | -0.014 | -0.013 | 41.368 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 373 | ARG | 1 | 0.981 | 1.000 | 40.618 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | ASP | -1 | -0.809 | -0.916 | 37.522 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | LEU | 0 | -0.055 | -0.009 | 32.393 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | ALA | 0 | 0.053 | 0.027 | 33.333 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 377 | VAL | 0 | 0.016 | 0.009 | 27.294 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | GLY | 0 | -0.031 | -0.025 | 27.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | VAL | 0 | -0.002 | 0.006 | 27.661 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | ALA | 0 | 0.052 | 0.020 | 28.014 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | GLU | -1 | -0.864 | -0.929 | 24.818 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | GLY | 0 | -0.001 | 0.014 | 27.069 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | GLY | 0 | 0.016 | 0.022 | 29.951 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | ALA | 0 | 0.039 | 0.002 | 31.056 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | GLU | -1 | -0.848 | -0.895 | 28.420 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | THR | 0 | -0.037 | -0.038 | 25.775 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | TRP | 0 | -0.052 | -0.010 | 26.698 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | CYS | 0 | -0.003 | -0.002 | 28.872 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | ASP | -1 | -0.717 | -0.825 | 25.828 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | ARG | 1 | 0.824 | 0.889 | 22.293 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | GLU | -1 | -0.968 | -0.986 | 19.809 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | LEU | 0 | -0.035 | -0.007 | 20.087 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | TYR | 0 | -0.064 | -0.062 | 21.403 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | CYS | 0 | -0.068 | -0.022 | 16.091 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | LEU | 0 | 0.050 | 0.007 | 18.519 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | LYS | 1 | 0.886 | 0.957 | 13.525 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | ALA | 0 | -0.014 | -0.010 | 16.331 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | SER | 0 | -0.005 | 0.005 | 18.243 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | VAL | 0 | -0.018 | -0.011 | 21.000 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | GLY | 0 | 0.029 | 0.009 | 23.077 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | ALA | 0 | -0.047 | -0.015 | 24.786 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | PRO | 0 | -0.014 | -0.004 | 22.402 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | PRO | 0 | -0.020 | -0.008 | 22.973 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | ASP | -1 | -0.862 | -0.929 | 26.000 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | ILE | 0 | -0.040 | -0.049 | 28.752 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 406 | LEU | 0 | -0.040 | 0.001 | 31.985 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 407 | GLY | 0 | 0.036 | 0.014 | 31.581 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 408 | PRO | 0 | -0.013 | -0.010 | 28.888 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 409 | LEU | 0 | -0.008 | -0.011 | 27.123 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 410 | GLY | 0 | 0.009 | 0.020 | 25.855 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 411 | GLN | 0 | -0.016 | -0.002 | 26.492 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 412 | ASN | 0 | 0.046 | 0.006 | 23.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 413 | TRP | 0 | -0.016 | -0.037 | 26.002 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 414 | GLY | 0 | 0.026 | 0.029 | 25.703 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 415 | LEU | 0 | -0.037 | -0.011 | 25.585 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 416 | PRO | 0 | 0.013 | 0.029 | 22.190 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 417 | PRO | 0 | -0.007 | 0.009 | 18.968 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 418 | MET | 0 | 0.025 | 0.018 | 20.874 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 419 | ASP | -1 | -0.696 | -0.857 | 16.199 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 420 | PRO | 0 | 0.014 | 0.006 | 15.884 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 421 | HIS | 0 | -0.004 | -0.030 | 12.229 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 422 | ILE | 0 | 0.000 | 0.015 | 16.906 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 423 | ILE | 0 | 0.001 | 0.006 | 19.922 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 424 | THR | 0 | -0.007 | -0.003 | 19.021 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 425 | ALA | 0 | -0.014 | 0.009 | 19.296 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 426 | ARG | 1 | 0.775 | 0.857 | 21.266 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 427 | ALA | 0 | -0.026 | -0.008 | 24.210 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 428 | TYR | 0 | -0.043 | -0.085 | 23.662 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 429 | GLU | -1 | -0.832 | -0.893 | 26.514 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 430 | PRO | 0 | 0.048 | 0.022 | 25.058 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 431 | PHE | 0 | -0.033 | -0.027 | 26.951 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 432 | ILE | 0 | 0.006 | 0.003 | 28.828 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 433 | GLU | -1 | -0.868 | -0.937 | 31.654 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 434 | LEU | 0 | -0.029 | 0.003 | 29.552 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 435 | LEU | 0 | -0.011 | -0.010 | 32.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 436 | ARG | 1 | 0.878 | 0.923 | 34.835 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 437 | ALA | 0 | -0.018 | 0.015 | 36.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 438 | ASN | 0 | -0.093 | -0.069 | 35.379 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 439 | MET | 0 | -0.020 | -0.003 | 36.495 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 440 | GLN | 0 | 0.027 | 0.025 | 40.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 441 | ASN | 0 | -0.004 | -0.017 | 43.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 442 | CYS | 0 | -0.050 | -0.028 | 43.228 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 443 | GLY | 0 | 0.085 | 0.063 | 44.956 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 444 | ALA | 0 | -0.072 | -0.057 | 42.960 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 445 | LEU | 0 | 0.000 | 0.002 | 35.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 446 | ARG | 1 | 0.828 | 0.927 | 36.761 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 447 | ILE | 0 | -0.011 | -0.012 | 31.624 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 448 | ASP | -1 | -0.759 | -0.894 | 32.586 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 449 | HIS | 0 | 0.011 | 0.001 | 26.038 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 450 | VAL | 0 | 0.024 | 0.020 | 29.089 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 451 | MET | 0 | -0.031 | -0.031 | 25.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 452 | SER | 0 | -0.017 | -0.009 | 24.943 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 453 | MET | 0 | -0.011 | 0.005 | 24.113 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 454 | LEU | 0 | -0.065 | -0.019 | 22.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 455 | ARG | 1 | 0.907 | 0.950 | 19.886 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 456 | LEU | 0 | 0.038 | 0.032 | 20.019 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 457 | TRP | 0 | -0.072 | -0.012 | 19.363 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 458 | TRP | 0 | 0.017 | -0.004 | 14.681 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 459 | ILE | 0 | 0.010 | 0.003 | 17.580 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 460 | PRO | 0 | -0.023 | -0.012 | 13.859 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 461 | TYR | 0 | -0.062 | -0.062 | 16.024 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 462 | GLY | 0 | -0.008 | 0.000 | 18.318 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 463 | GLU | -1 | -0.847 | -0.914 | 16.499 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 464 | THR | 0 | -0.015 | -0.041 | 19.952 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 465 | ALA | 0 | 0.042 | 0.012 | 20.310 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 466 | ASP | -1 | -0.833 | -0.890 | 20.750 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 467 | GLN | 0 | -0.099 | -0.041 | 16.051 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 468 | GLY | 0 | 0.017 | 0.021 | 15.736 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 469 | ALA | 0 | -0.014 | -0.032 | 14.553 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 470 | TYR | 0 | -0.022 | -0.001 | 16.519 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 471 | VAL | 0 | 0.015 | 0.015 | 14.003 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 472 | HIS | 0 | -0.048 | -0.044 | 15.891 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 473 | TYR | 0 | 0.005 | -0.006 | 17.399 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 474 | PRO | 0 | 0.023 | 0.016 | 20.107 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 475 | VAL | 0 | 0.017 | -0.003 | 21.898 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 476 | ASP | -1 | -0.850 | -0.914 | 24.815 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 477 | ASP | -1 | -0.799 | -0.883 | 24.975 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 478 | LEU | 0 | 0.009 | 0.008 | 23.823 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 479 | LEU | 0 | -0.008 | -0.007 | 27.758 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 480 | SER | 0 | -0.069 | -0.021 | 30.032 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 481 | ILE | 0 | -0.003 | -0.002 | 28.245 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 482 | LEU | 0 | 0.005 | 0.007 | 31.634 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 483 | ALA | 0 | 0.004 | -0.011 | 33.413 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 484 | LEU | 0 | -0.029 | -0.028 | 34.777 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 485 | GLU | -1 | -0.728 | -0.852 | 34.725 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 486 | SER | 0 | 0.008 | -0.017 | 37.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 487 | LYS | 1 | 0.842 | 0.900 | 39.250 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 488 | ARG | 1 | 0.772 | 0.874 | 38.559 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 489 | HIS | 0 | 0.007 | 0.011 | 38.798 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 490 | ARG | 1 | 0.863 | 0.947 | 43.036 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 491 | CYS | 0 | 0.032 | 0.039 | 41.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 492 | MET | 0 | -0.037 | 0.030 | 41.081 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 493 | VAL | 0 | 0.043 | 0.014 | 35.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 494 | ILE | 0 | -0.039 | -0.026 | 38.785 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 495 | GLY | 0 | 0.008 | -0.014 | 34.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 496 | GLU | -1 | -0.896 | -0.942 | 33.722 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 497 | ASP | -1 | -0.788 | -0.881 | 32.993 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 498 | LEU | 0 | -0.017 | 0.005 | 34.040 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 499 | GLY | 0 | 0.024 | 0.020 | 32.204 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 500 | THR | 0 | -0.037 | -0.030 | 28.758 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 501 | VAL | 0 | 0.050 | 0.021 | 29.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 502 | PRO | 0 | -0.018 | -0.006 | 25.790 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 503 | VAL | 0 | 0.057 | 0.011 | 28.871 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 504 | GLU | -1 | -0.945 | -0.975 | 26.194 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 505 | ILE | 0 | 0.035 | 0.004 | 25.806 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 506 | VAL | 0 | 0.029 | 0.028 | 29.764 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 507 | GLY | 0 | -0.032 | -0.016 | 33.120 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 508 | LYS | 1 | 0.860 | 0.914 | 26.353 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 509 | LEU | 0 | 0.075 | 0.046 | 31.049 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 510 | ARG | 1 | 0.979 | 1.002 | 33.832 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 511 | SER | 0 | -0.059 | -0.041 | 35.073 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 512 | SER | 0 | 0.026 | -0.002 | 33.380 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 513 | GLY | 0 | -0.023 | 0.001 | 35.944 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 514 | VAL | 0 | 0.031 | 0.034 | 34.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 515 | TYR | 0 | -0.075 | -0.040 | 37.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 516 | SER | 0 | -0.061 | -0.054 | 37.603 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 517 | TYR | 0 | 0.031 | 0.008 | 38.369 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 518 | LYS | 1 | 0.896 | 0.950 | 39.110 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 519 | VAL | 0 | 0.069 | 0.039 | 41.078 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 520 | LEU | 0 | -0.005 | -0.001 | 43.509 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 521 | TYR | 0 | -0.050 | -0.053 | 44.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 522 | PHE | 0 | 0.037 | 0.010 | 39.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 523 | GLU | -1 | -0.876 | -0.910 | 41.574 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 524 | ASN | 0 | -0.076 | -0.043 | 43.793 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 525 | ASP | -1 | -0.824 | -0.899 | 43.021 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 526 | HIS | 0 | -0.015 | -0.022 | 41.227 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 527 | GLU | -1 | -0.962 | -0.981 | 43.510 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 528 | LYS | 1 | 0.828 | 0.899 | 44.499 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 529 | THR | 0 | -0.030 | -0.003 | 47.976 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 530 | PHE | 0 | -0.014 | -0.018 | 47.814 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 531 | ARG | 1 | 0.812 | 0.913 | 41.978 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 532 | ALA | 0 | 0.000 | 0.001 | 48.359 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 533 | PRO | 0 | 0.074 | 0.035 | 50.136 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 534 | LYS | 1 | 0.957 | 0.960 | 50.784 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 535 | ALA | 0 | -0.026 | 0.005 | 47.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 536 | TYR | 0 | -0.007 | 0.009 | 46.042 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 537 | PRO | 0 | -0.001 | -0.002 | 42.186 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 538 | GLU | -1 | -0.833 | -0.904 | 45.193 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 539 | GLN | 0 | -0.092 | -0.045 | 39.598 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 540 | SER | 0 | -0.054 | -0.048 | 41.717 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 541 | MET | 0 | 0.011 | 0.028 | 42.611 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 542 | ALA | 0 | -0.017 | 0.001 | 43.678 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 543 | VAL | 0 | 0.020 | 0.011 | 43.884 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 544 | ALA | 0 | 0.014 | -0.001 | 46.444 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 545 | ALA | 0 | -0.015 | -0.009 | 45.218 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 546 | THR | 0 | 0.046 | 0.015 | 40.416 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 547 | HIS | 0 | 0.080 | 0.034 | 38.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 548 | ASP | -1 | -0.897 | -0.939 | 37.977 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 549 | LEU | 0 | -0.076 | -0.032 | 40.818 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 550 | PRO | 0 | 0.010 | 0.005 | 43.623 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 551 | THR | 0 | 0.050 | 0.010 | 47.291 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 552 | LEU | 0 | -0.010 | -0.005 | 50.131 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 553 | ARG | 1 | 0.764 | 0.858 | 52.345 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 554 | GLY | 0 | 0.084 | 0.046 | 50.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 555 | TYR | 0 | 0.002 | -0.007 | 46.881 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 556 | TRP | 0 | -0.052 | -0.035 | 50.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 557 | GLU | -1 | -0.902 | -0.964 | 53.687 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 558 | CYS | 0 | -0.043 | -0.011 | 50.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 559 | GLY | 0 | 0.049 | 0.034 | 50.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 560 | ASP | -1 | -0.749 | -0.864 | 45.317 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 561 | LEU | 0 | -0.014 | -0.001 | 45.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 562 | THR | 0 | 0.001 | -0.009 | 47.142 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 563 | LEU | 0 | 0.011 | 0.007 | 47.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 564 | GLY | 0 | 0.058 | 0.017 | 44.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 565 | LYS | 1 | 0.865 | 0.944 | 44.880 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 566 | THR | 0 | -0.056 | -0.027 | 46.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 567 | LEU | 0 | -0.045 | -0.019 | 44.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 568 | GLY | 0 | -0.017 | -0.002 | 43.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 569 | LEU | 0 | -0.007 | -0.001 | 40.020 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 570 | TYR | 0 | -0.023 | -0.008 | 40.231 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 571 | PRO | 0 | -0.007 | -0.005 | 39.690 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 572 | ASP | -1 | -0.853 | -0.934 | 40.069 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 573 | GLU | -1 | -0.888 | -0.969 | 42.358 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 574 | VAL | 0 | -0.037 | -0.014 | 43.052 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 575 | VAL | 0 | 0.029 | 0.012 | 39.168 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 576 | LEU | 0 | 0.003 | 0.008 | 42.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 577 | ARG | 1 | 0.933 | 0.960 | 45.059 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 578 | GLY | 0 | 0.016 | 0.020 | 44.490 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 579 | LEU | 0 | 0.034 | 0.016 | 41.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 580 | TYR | 0 | 0.016 | 0.008 | 45.137 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 581 | GLN | 0 | -0.048 | -0.028 | 48.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 582 | ASP | -1 | -0.833 | -0.888 | 44.146 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 583 | ARG | 1 | 0.799 | 0.885 | 45.492 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 584 | GLU | -1 | -0.887 | -0.965 | 48.815 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 585 | LEU | 0 | -0.023 | -0.012 | 49.099 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 586 | ALA | 0 | 0.031 | 0.026 | 47.684 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 587 | LYS | 1 | 0.837 | 0.919 | 49.586 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 588 | GLN | 0 | -0.048 | -0.018 | 52.783 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 589 | GLY | 0 | 0.100 | 0.063 | 51.963 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 590 | LEU | 0 | -0.024 | -0.003 | 50.609 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 591 | LEU | 0 | -0.044 | -0.029 | 52.997 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 592 | ASP | -1 | -0.899 | -0.956 | 55.549 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 593 | ALA | 0 | -0.001 | -0.003 | 53.495 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 594 | LEU | 0 | -0.007 | -0.009 | 54.887 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 595 | HIS | 0 | -0.051 | -0.042 | 57.457 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 596 | LYS | 1 | 0.907 | 0.979 | 55.840 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 597 | TYR | 0 | -0.041 | -0.035 | 53.593 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 598 | GLY | 0 | 0.013 | 0.031 | 58.544 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 599 | CYS | 0 | -0.011 | 0.000 | 57.858 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 600 | LEU | 0 | -0.025 | -0.019 | 59.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 601 | PRO | 0 | -0.059 | -0.036 | 63.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 602 | LYS | 1 | 1.016 | 0.997 | 66.211 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 603 | ARG | 1 | 0.957 | 0.975 | 67.541 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 604 | ALA | 0 | -0.024 | 0.009 | 64.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 605 | GLY | 0 | 0.066 | 0.036 | 65.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 606 | HIS | 1 | 0.950 | 0.964 | 62.336 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 607 | LYS | 1 | 0.985 | 1.011 | 59.115 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 608 | ALA | 0 | 0.052 | 0.009 | 56.887 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 609 | SER | 0 | 0.038 | 0.017 | 58.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 610 | LEU | 0 | -0.071 | -0.032 | 59.012 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 611 | MET | 0 | -0.044 | -0.006 | 60.517 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 612 | SER | 0 | 0.060 | 0.044 | 59.875 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 613 | MET | 0 | 0.025 | 0.030 | 55.869 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 614 | THR | 0 | 0.005 | -0.009 | 59.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 615 | PRO | 0 | 0.119 | 0.042 | 61.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 616 | THR | 0 | -0.087 | -0.049 | 62.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 617 | LEU | 0 | 0.009 | 0.006 | 57.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 618 | ASN | 0 | 0.066 | 0.030 | 56.972 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 619 | ARG | 1 | 0.962 | 0.988 | 57.317 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 620 | GLY | 0 | -0.036 | -0.019 | 58.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 621 | LEU | 0 | 0.048 | 0.015 | 53.111 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 622 | GLN | 0 | 0.031 | 0.012 | 53.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 623 | ARG | 1 | 0.739 | 0.837 | 54.753 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 624 | TYR | 0 | 0.022 | 0.006 | 50.809 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 625 | ILE | 0 | 0.021 | 0.016 | 48.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 626 | ALA | 0 | -0.025 | 0.011 | 51.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 627 | ASP | -1 | -0.839 | -0.910 | 54.260 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 628 | SER | 0 | -0.108 | -0.070 | 49.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 629 | ASN | 0 | 0.002 | -0.015 | 48.896 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 630 | SER | 0 | -0.001 | -0.011 | 45.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 631 | ALA | 0 | 0.025 | 0.032 | 47.118 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 632 | LEU | 0 | -0.004 | 0.002 | 44.764 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 633 | LEU | 0 | 0.009 | 0.005 | 47.777 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 634 | GLY | 0 | 0.036 | -0.016 | 47.513 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 635 | LEU | 0 | -0.074 | -0.039 | 48.546 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 636 | GLN | 0 | 0.029 | 0.018 | 46.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 637 | PRO | 0 | 0.061 | 0.016 | 50.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 638 | GLU | -1 | -0.848 | -0.937 | 49.624 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 639 | ASP | -1 | -0.833 | -0.923 | 51.379 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 640 | TRP | 0 | -0.047 | -0.035 | 54.414 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 641 | LEU | 0 | -0.010 | -0.007 | 56.366 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 642 | ASP | -1 | -0.893 | -0.913 | 57.348 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 643 | MET | 0 | 0.007 | 0.040 | 53.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 644 | ALA | 0 | 0.010 | 0.012 | 54.124 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 645 | GLU | -1 | -0.909 | -0.941 | 51.379 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 646 | PRO | 0 | 0.026 | 0.028 | 45.954 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 647 | VAL | 0 | 0.004 | 0.008 | 44.445 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 648 | ASN | 0 | -0.009 | -0.020 | 38.529 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 649 | ILE | 0 | 0.001 | 0.022 | 40.797 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 650 | PRO | 0 | 0.026 | 0.024 | 36.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 651 | GLY | 0 | -0.005 | 0.001 | 34.912 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 652 | THR | 0 | -0.077 | -0.038 | 35.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 653 | SER | 0 | -0.010 | -0.005 | 35.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 654 | TYR | 0 | 0.027 | 0.000 | 37.696 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 655 | GLN | 0 | 0.017 | 0.012 | 38.736 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 656 | TYR | 0 | 0.019 | -0.012 | 42.865 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 657 | LYS | 1 | 0.911 | 0.976 | 43.544 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 658 | ASN | 0 | 0.058 | 0.020 | 40.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 659 | TRP | 0 | 0.026 | 0.006 | 38.225 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 660 | ARG | 1 | 0.828 | 0.900 | 42.739 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 661 | ARG | 1 | 0.853 | 0.938 | 47.807 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 662 | LYS | 1 | 0.842 | 0.939 | 50.245 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 663 | LEU | 0 | -0.023 | -0.020 | 52.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 664 | SER | 0 | -0.003 | -0.030 | 54.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 665 | ALA | 0 | -0.002 | 0.006 | 58.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 666 | THR | 0 | 0.024 | 0.011 | 58.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 667 | LEU | 0 | 0.019 | -0.008 | 56.164 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 668 | GLU | -1 | -0.819 | -0.921 | 60.095 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 669 | SER | 0 | -0.025 | -0.012 | 63.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 670 | MET | 0 | 0.028 | 0.023 | 56.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 671 | PHE | 0 | -0.010 | -0.023 | 57.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 672 | ALA | 0 | -0.006 | 0.010 | 63.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 673 | ASP | -1 | -0.828 | -0.896 | 64.523 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 674 | ASP | -1 | -0.914 | -0.964 | 66.153 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 675 | GLY | 0 | -0.051 | -0.027 | 65.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 676 | VAL | 0 | 0.051 | 0.028 | 60.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 677 | ASN | 0 | 0.012 | 0.006 | 62.293 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 678 | LYS | 1 | 0.858 | 0.917 | 64.538 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 679 | LEU | 0 | -0.035 | -0.006 | 58.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 680 | LEU | 0 | 0.058 | 0.025 | 57.564 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 681 | LYS | 1 | 0.984 | 1.004 | 60.626 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 682 | ASP | -1 | -0.905 | -0.927 | 61.728 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 683 | LEU | 0 | 0.049 | 0.007 | 56.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 684 | ASP | -1 | -0.757 | -0.855 | 58.325 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 685 | ARG | 1 | 0.905 | 0.951 | 59.555 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 686 | ARG | 1 | 0.805 | 0.879 | 58.405 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 687 | ARG | 1 | 0.804 | 0.908 | 50.815 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 688 | ARG | 1 | 0.856 | 0.929 | 57.148 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 689 | SER | 0 | -0.066 | -0.035 | 59.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 690 | ALA | 0 | -0.039 | 0.003 | 55.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 691 | HIS | 0 | -0.052 | -0.016 | 55.700 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |