![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: JQ789
Calculation Name: 4F88-1-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4F88
Chain ID: 1
UniProt ID: Q7Y3F3
Base Structure: X-ray
Registration Date: 2023-09-23
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 442 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7496107.695987 |
---|---|
FMO2-HF: Nuclear repulsion | 7325754.877012 |
FMO2-HF: Total energy | -170352.818975 |
FMO2-MP2: Total energy | -170846.380652 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F036579/ligand_interaction/ligand_F036579.png)
Ligand Interaction
![ligand interaction](./Kdata/F036579/ligand_interaction/ligand_interaction_F036579.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(1:2:SER)
Summations of interaction energy for
fragment #1(1:2:SER)
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. |
-31.36 | -31.019 | 29.603 | -15.252 | -14.691 | -0.068 |
Interaction energy analysis for fragmet #1(1:2:SER)
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 | 1 | 4 | LYS | 1 | 0.724 | 0.865 | 2.836 | 0.866 | 5.104 | 0.186 | -2.171 | -2.253 | 0.004 |
4 | 1 | 5 | TYR | 0 | -0.058 | -0.037 | 4.872 | 1.166 | 1.298 | -0.001 | -0.009 | -0.122 | 0.000 |
5 | 1 | 6 | THR | 0 | -0.003 | -0.032 | 7.868 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | 1 | 7 | GLN | 0 | 0.020 | -0.006 | 10.544 | -0.381 | -0.381 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | 1 | 8 | GLN | 0 | 0.033 | 0.013 | 11.961 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | 1 | 9 | GLN | 0 | 0.012 | 0.039 | 10.895 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | 1 | 10 | TYR | 0 | 0.012 | -0.023 | 4.433 | 0.063 | 0.104 | -0.001 | -0.011 | -0.029 | 0.000 |
10 | 1 | 11 | GLU | -1 | -0.839 | -0.900 | 10.897 | -0.750 | -0.750 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | 1 | 12 | LYS | 1 | 0.861 | 0.922 | 14.538 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | 1 | 13 | TYR | 0 | 0.014 | 0.010 | 10.703 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | 1 | 14 | LEU | 0 | -0.030 | -0.006 | 11.913 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | 1 | 15 | ALA | 0 | 0.031 | 0.012 | 15.322 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | 1 | 16 | GLN | 0 | -0.034 | -0.002 | 17.852 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | 1 | 17 | PRO | 0 | 0.005 | 0.009 | 19.638 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | 1 | 18 | ALA | 0 | 0.000 | -0.016 | 20.581 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | 1 | 19 | ASN | 0 | 0.042 | 0.005 | 22.700 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | 1 | 20 | ASN | 0 | -0.004 | 0.010 | 21.077 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | 1 | 21 | THR | 0 | 0.007 | 0.026 | 21.999 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | 1 | 22 | PHE | 0 | 0.018 | 0.000 | 17.754 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | 1 | 23 | GLY | 0 | -0.006 | 0.012 | 22.851 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | 1 | 24 | LEU | 0 | -0.035 | -0.020 | 21.094 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | 1 | 25 | SER | 0 | -0.021 | -0.007 | 24.866 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | 1 | 26 | PRO | 0 | -0.005 | 0.006 | 27.211 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | 1 | 27 | GLN | 0 | 0.057 | 0.012 | 27.726 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | 1 | 28 | GLN | 0 | 0.061 | 0.030 | 25.093 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | 1 | 29 | VAL | 0 | 0.046 | 0.037 | 21.639 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | 1 | 30 | ALA | 0 | 0.006 | 0.008 | 23.249 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | 1 | 31 | ASP | -1 | -0.867 | -0.962 | 25.650 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | 1 | 32 | TRP | 0 | -0.040 | -0.013 | 20.254 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | 1 | 33 | PHE | 0 | -0.001 | 0.007 | 21.197 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | 1 | 34 | MET | 0 | -0.032 | 0.000 | 22.341 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | 1 | 35 | GLY | 0 | -0.021 | -0.003 | 22.891 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | 1 | 36 | GLN | 0 | -0.018 | -0.015 | 16.691 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | 1 | 37 | ALA | 0 | -0.051 | -0.016 | 17.947 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | 1 | 38 | GLY | 0 | 0.046 | 0.028 | 17.270 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | 1 | 39 | ALA | 0 | 0.093 | 0.028 | 18.111 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | 1 | 40 | ARG | 1 | 0.852 | 0.943 | 21.072 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | 1 | 41 | PRO | 0 | 0.020 | 0.004 | 21.759 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | 1 | 42 | VAL | 0 | 0.027 | 0.012 | 22.387 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | 1 | 43 | ILE | 0 | -0.055 | -0.012 | 24.499 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | 1 | 44 | ASN | 0 | -0.080 | -0.052 | 27.209 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | 1 | 45 | SER | 0 | 0.011 | 0.017 | 28.170 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | 1 | 46 | TYR | 0 | 0.035 | 0.010 | 26.942 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | 1 | 47 | GLY | 0 | 0.007 | 0.018 | 31.484 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | 1 | 48 | VAL | 0 | 0.033 | 0.007 | 28.612 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | 1 | 49 | ASN | 0 | -0.027 | -0.011 | 31.920 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | 1 | 50 | ALA | 0 | 0.035 | 0.003 | 30.483 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | 1 | 51 | SER | 0 | 0.049 | 0.015 | 29.211 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | 1 | 52 | ASN | 0 | -0.043 | -0.011 | 30.666 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | 1 | 53 | LEU | 0 | 0.013 | 0.011 | 33.180 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | 1 | 54 | VAL | 0 | 0.050 | 0.026 | 26.866 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | 1 | 55 | SER | 0 | -0.029 | -0.024 | 30.110 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | 1 | 56 | THR | 0 | -0.083 | -0.036 | 32.193 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | 1 | 57 | TYR | 0 | -0.008 | -0.021 | 29.084 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | 1 | 58 | ILE | 0 | 0.036 | 0.018 | 26.901 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | 1 | 59 | PRO | 0 | -0.037 | -0.023 | 29.533 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | 1 | 60 | LYS | 1 | 0.819 | 0.901 | 31.064 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | 1 | 61 | MET | 0 | 0.024 | 0.015 | 25.065 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | 1 | 62 | GLN | 0 | -0.067 | -0.035 | 28.617 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | 1 | 63 | GLU | -1 | -0.902 | -0.925 | 30.524 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | 1 | 64 | TYR | 0 | -0.021 | -0.023 | 29.337 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | 1 | 65 | GLY | 0 | -0.015 | -0.002 | 29.338 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | 1 | 66 | VAL | 0 | 0.002 | 0.008 | 23.447 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | 1 | 67 | SER | 0 | -0.062 | -0.056 | 21.558 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | 1 | 68 | TYR | 0 | 0.108 | 0.019 | 22.386 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | 1 | 69 | THR | 0 | -0.056 | -0.039 | 19.136 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | 1 | 70 | LEU | 0 | 0.003 | 0.007 | 16.199 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | 1 | 71 | PHE | 0 | 0.070 | 0.039 | 17.882 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | 1 | 72 | LEU | 0 | -0.021 | -0.005 | 19.746 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | 1 | 73 | MET | 0 | -0.031 | -0.007 | 13.710 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | 1 | 74 | TYR | 0 | -0.040 | -0.048 | 14.054 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | 1 | 75 | THR | 0 | -0.021 | -0.028 | 16.134 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | 1 | 76 | VAL | 0 | -0.083 | -0.036 | 14.789 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | 1 | 77 | PHE | 0 | -0.072 | -0.024 | 9.672 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | 1 | 78 | GLU | -1 | -0.847 | -0.900 | 13.809 | 0.434 | 0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | 1 | 79 | GLY | 0 | 0.080 | 0.025 | 16.251 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | 1 | 80 | GLY | 0 | -0.033 | -0.035 | 19.618 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | 1 | 81 | GLY | 0 | -0.015 | 0.003 | 21.413 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | 1 | 82 | ALA | 0 | -0.083 | -0.051 | 22.905 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | 1 | 83 | GLY | 0 | -0.015 | 0.009 | 25.337 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | 1 | 84 | ASN | 0 | -0.001 | 0.010 | 24.646 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | 1 | 85 | TRP | 0 | -0.090 | -0.053 | 23.661 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | 1 | 86 | ILE | 0 | -0.017 | 0.030 | 18.381 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | 1 | 87 | ASN | 0 | -0.006 | -0.020 | 17.939 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | 1 | 88 | HIS | 0 | 0.000 | 0.005 | 21.257 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | 1 | 89 | TYR | 0 | -0.021 | -0.029 | 24.075 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | 1 | 90 | MET | 0 | -0.060 | -0.010 | 26.816 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | 1 | 91 | TYR | 0 | -0.016 | -0.028 | 29.276 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | 1 | 92 | ASP | -1 | -0.775 | -0.879 | 30.673 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | 1 | 93 | THR | 0 | 0.013 | -0.022 | 33.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | 1 | 94 | GLY | 0 | -0.023 | -0.014 | 33.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | 1 | 95 | SER | 0 | -0.038 | -0.043 | 34.198 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | 1 | 96 | ASN | 0 | -0.003 | 0.004 | 34.659 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | 1 | 97 | GLY | 0 | 0.051 | 0.021 | 30.871 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | 1 | 98 | LEU | 0 | -0.030 | -0.016 | 30.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | 1 | 99 | GLU | -1 | -0.822 | -0.874 | 32.564 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | 1 | 100 | CYS | 0 | -0.013 | -0.013 | 29.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | 1 | 101 | LEU | 0 | -0.067 | -0.019 | 26.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | 1 | 102 | GLU | -1 | -0.775 | -0.857 | 28.741 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | 1 | 103 | HIS | 0 | 0.031 | 0.011 | 29.717 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | 1 | 104 | ASP | -1 | -0.801 | -0.916 | 23.954 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | 1 | 105 | LEU | 0 | -0.068 | -0.032 | 25.596 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | 1 | 106 | GLN | 0 | -0.013 | -0.017 | 27.454 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | 1 | 107 | TYR | 0 | 0.003 | 0.011 | 20.475 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | 1 | 108 | ILE | 0 | -0.011 | -0.012 | 22.361 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | 1 | 109 | HIS | 0 | -0.074 | -0.047 | 25.019 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | 1 | 110 | GLY | 0 | 0.008 | 0.022 | 27.895 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | 1 | 111 | VAL | 0 | -0.028 | -0.011 | 21.357 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | 1 | 112 | TRP | 0 | -0.014 | -0.018 | 23.847 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | 1 | 113 | GLU | -1 | -0.827 | -0.896 | 24.810 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | 1 | 114 | THR | 0 | -0.036 | -0.012 | 25.862 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | 1 | 115 | TYR | 0 | -0.049 | -0.038 | 22.721 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | 1 | 116 | PHE | 0 | 0.019 | -0.003 | 21.388 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | 1 | 117 | PRO | 0 | -0.008 | -0.002 | 21.437 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | 1 | 118 | PRO | 0 | 0.003 | -0.011 | 16.645 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | 1 | 119 | ALA | 0 | 0.012 | 0.012 | 13.655 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | 1 | 120 | LEU | 0 | -0.006 | 0.000 | 12.314 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | 1 | 121 | SER | 0 | -0.066 | -0.046 | 11.633 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | 1 | 122 | ALA | 0 | 0.057 | 0.012 | 13.748 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | 1 | 123 | PRO | 0 | -0.002 | -0.005 | 15.629 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | 1 | 124 | GLU | -1 | -0.946 | -0.976 | 15.807 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | 1 | 125 | CYS | 0 | -0.048 | -0.018 | 16.330 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | 1 | 126 | TYR | 0 | -0.022 | -0.003 | 14.750 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | 1 | 127 | PRO | 0 | 0.053 | 0.038 | 14.126 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | 1 | 128 | ALA | 0 | 0.011 | 0.012 | 10.773 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | 1 | 129 | THR | 0 | -0.055 | -0.028 | 12.695 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | 1 | 130 | GLU | -1 | -0.803 | -0.924 | 12.905 | -0.731 | -0.731 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | 1 | 131 | ASP | -1 | -0.883 | -0.954 | 10.978 | -1.424 | -1.424 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | 1 | 132 | ASN | 0 | -0.114 | -0.061 | 14.126 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | 1 | 133 | ALA | 0 | 0.053 | 0.018 | 17.719 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | 1 | 134 | GLY | 0 | -0.008 | 0.013 | 18.496 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | 1 | 135 | ALA | 0 | 0.002 | -0.002 | 16.435 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | 1 | 136 | LEU | 0 | 0.027 | 0.024 | 13.293 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | 1 | 137 | ASP | -1 | -0.734 | -0.840 | 16.192 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | 1 | 138 | ARG | 1 | 0.754 | 0.864 | 19.693 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | 1 | 139 | PHE | 0 | 0.003 | -0.002 | 15.872 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | 1 | 140 | TYR | 0 | 0.027 | 0.010 | 18.241 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | 1 | 141 | GLN | 0 | -0.015 | -0.021 | 19.835 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | 1 | 142 | SER | 0 | -0.066 | -0.024 | 22.013 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | 1 | 143 | LEU | 0 | -0.059 | -0.005 | 18.033 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | 1 | 144 | PRO | 0 | -0.034 | -0.013 | 22.569 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | 1 | 145 | GLY | 0 | 0.059 | 0.023 | 24.294 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | 1 | 146 | ARG | 1 | 0.828 | 0.919 | 24.130 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | 1 | 147 | THR | 0 | -0.120 | -0.100 | 20.561 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | 1 | 148 | TRP | 0 | 0.029 | -0.008 | 13.833 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | 1 | 149 | GLY | 0 | 0.056 | 0.003 | 16.039 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | 1 | 150 | ASP | -1 | -0.822 | -0.883 | 17.051 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | 1 | 151 | VAL | 0 | -0.005 | 0.011 | 18.921 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | 1 | 152 | MET | 0 | -0.015 | 0.003 | 12.672 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | 1 | 153 | ILE | 0 | -0.032 | -0.006 | 14.410 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | 1 | 154 | PRO | 0 | -0.008 | 0.001 | 15.380 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | 1 | 155 | SER | 0 | 0.020 | 0.017 | 16.051 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | 1 | 156 | THR | 0 | -0.026 | -0.028 | 10.301 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | 1 | 157 | MET | 0 | 0.001 | 0.014 | 11.270 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | 1 | 158 | ALA | 0 | -0.007 | 0.001 | 6.996 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | 1 | 159 | GLY | 0 | 0.022 | 0.007 | 6.474 | -0.428 | -0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | 1 | 160 | ASN | 0 | 0.017 | -0.003 | 7.532 | -0.683 | -0.683 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | 1 | 161 | ALA | 0 | 0.027 | 0.020 | 8.122 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | 1 | 162 | TRP | 0 | -0.009 | -0.023 | 2.447 | -6.444 | -4.818 | 5.508 | -2.374 | -4.760 | -0.019 |
162 | 1 | 163 | VAL | 0 | -0.058 | -0.017 | 5.301 | -0.873 | -0.878 | -0.001 | -0.006 | 0.012 | 0.000 |
163 | 1 | 164 | TRP | 0 | 0.016 | 0.003 | 8.107 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | 1 | 165 | ALA | 0 | 0.048 | 0.043 | 9.184 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | 1 | 166 | TYR | 0 | 0.004 | 0.018 | 3.905 | 0.192 | 0.377 | 0.001 | -0.030 | -0.156 | 0.000 |
166 | 1 | 167 | ASN | 0 | -0.005 | -0.017 | 7.498 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | 1 | 168 | TYR | 0 | -0.013 | -0.007 | 9.456 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | 1 | 169 | CYS | 0 | -0.019 | 0.003 | 5.094 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | 1 | 170 | VAL | 0 | -0.030 | -0.025 | 5.317 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | 1 | 171 | ASN | 0 | -0.096 | -0.048 | 7.378 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | 1 | 172 | ASN | 0 | -0.059 | -0.036 | 9.540 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | 1 | 173 | GLN | 0 | -0.083 | -0.022 | 5.601 | 0.852 | 0.852 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | 1 | 174 | GLY | 0 | 0.039 | 0.005 | 9.182 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | 1 | 175 | ALA | 0 | -0.072 | -0.037 | 11.448 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | 1 | 176 | ALA | 0 | 0.031 | 0.008 | 13.555 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | 1 | 177 | PRO | 0 | 0.015 | 0.012 | 15.319 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | 1 | 178 | LEU | 0 | -0.008 | 0.006 | 12.239 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | 1 | 179 | VAL | 0 | 0.042 | 0.023 | 6.304 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | 1 | 180 | TYR | 0 | 0.007 | 0.009 | 8.610 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | 1 | 181 | PHE | 0 | 0.011 | 0.018 | 6.142 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | 1 | 182 | GLY | 0 | 0.065 | 0.032 | 3.495 | 0.093 | 0.454 | 0.020 | -0.122 | -0.257 | 0.001 |
182 | 1 | 183 | ASN | 0 | -0.016 | -0.029 | 2.153 | -4.053 | -1.598 | 3.101 | -2.479 | -3.078 | 0.013 |
183 | 1 | 184 | PRO | 0 | 0.042 | 0.025 | 3.456 | 1.144 | 1.298 | 0.012 | 0.050 | -0.215 | 0.000 |
184 | 1 | 185 | TYR | 0 | 0.022 | -0.012 | 6.753 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | 1 | 186 | ASP | -1 | -0.724 | -0.825 | 1.635 | -24.402 | -33.422 | 20.779 | -8.080 | -3.680 | -0.067 |
186 | 1 | 187 | SER | 0 | 0.008 | 0.022 | 4.438 | 0.387 | 0.561 | -0.001 | -0.020 | -0.153 | 0.000 |
187 | 1 | 188 | GLN | 0 | 0.057 | 0.030 | 6.852 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | 1 | 189 | ILE | 0 | -0.024 | -0.003 | 7.562 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | 1 | 190 | ASP | -1 | -0.795 | -0.872 | 6.680 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | 1 | 191 | SER | 0 | -0.001 | -0.008 | 9.362 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | 1 | 192 | LEU | 0 | -0.022 | -0.009 | 12.150 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | 1 | 193 | LEU | 0 | -0.020 | -0.012 | 10.569 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | 1 | 194 | ALA | 0 | -0.052 | -0.020 | 13.456 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | 1 | 195 | MET | 0 | -0.045 | -0.024 | 15.243 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | 1 | 196 | GLY | 0 | -0.032 | -0.003 | 17.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | 1 | 197 | ALA | 0 | -0.029 | -0.020 | 17.201 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | 1 | 198 | ASP | -1 | -0.782 | -0.862 | 15.922 | -0.494 | -0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | 1 | 199 | PRO | 0 | 0.004 | -0.009 | 12.954 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | 1 | 200 | PHE | 0 | 0.009 | -0.003 | 10.578 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | 1 | 201 | THR | 0 | -0.053 | -0.069 | 15.964 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | 1 | 202 | GLY | 0 | 0.006 | 0.005 | 19.161 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | 1 | 203 | GLY | 0 | 0.031 | 0.024 | 19.201 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | 1 | 204 | SER | 0 | -0.072 | -0.052 | 19.792 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | 1 | 205 | ILE | 0 | -0.041 | -0.013 | 21.566 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | 1 | 206 | THR | 0 | -0.038 | -0.017 | 24.325 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | 1 | 207 | GLY | 0 | 0.010 | 0.030 | 24.927 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | 1 | 208 | ASP | -1 | -0.794 | -0.901 | 23.460 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | 1 | 209 | GLY | 0 | -0.057 | -0.048 | 25.546 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | 1 | 210 | LYS | 1 | 0.781 | 0.881 | 26.715 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | 1 | 211 | ASN | 0 | 0.003 | -0.019 | 29.653 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | 1 | 212 | PRO | 0 | -0.011 | 0.046 | 28.142 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | 1 | 213 | SER | 0 | 0.013 | 0.020 | 29.627 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | 1 | 214 | VAL | 0 | -0.027 | -0.015 | 28.432 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | 1 | 215 | GLY | 0 | 0.048 | 0.029 | 28.497 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | 1 | 216 | THR | 0 | -0.091 | -0.062 | 29.671 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | 1 | 217 | GLY | 0 | 0.065 | 0.034 | 30.769 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | 1 | 218 | ASN | 0 | -0.075 | -0.060 | 30.949 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | 1 | 219 | ALA | 0 | 0.030 | 0.036 | 31.340 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | 1 | 220 | THR | 0 | -0.031 | -0.023 | 33.333 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | 1 | 221 | VAL | 0 | -0.036 | -0.028 | 35.252 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | 1 | 222 | SER | 0 | 0.008 | -0.012 | 34.912 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | 1 | 223 | ALA | 0 | -0.015 | 0.014 | 35.788 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | 1 | 224 | SER | 0 | -0.038 | 0.008 | 33.632 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | 1 | 225 | SER | 0 | -0.010 | -0.075 | 32.598 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | 1 | 226 | GLU | -1 | -0.965 | -0.951 | 34.303 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | 1 | 227 | ALA | 0 | 0.004 | -0.006 | 35.817 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | 1 | 228 | ASN | 0 | 0.024 | -0.011 | 31.606 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | 1 | 229 | ARG | 1 | 0.920 | 0.952 | 33.233 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | 1 | 230 | GLU | -1 | -0.863 | -0.911 | 37.752 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | 1 | 231 | LYS | 1 | 0.876 | 0.948 | 34.686 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | 1 | 232 | LEU | 0 | 0.034 | 0.018 | 35.342 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | 1 | 233 | LYS | 1 | 0.866 | 0.919 | 38.902 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | 1 | 234 | LYS | 1 | 0.875 | 0.963 | 42.284 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | 1 | 235 | ALA | 0 | 0.108 | 0.062 | 40.437 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | 1 | 236 | LEU | 0 | 0.000 | -0.005 | 39.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | 1 | 237 | THR | 0 | -0.058 | -0.047 | 43.485 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | 1 | 238 | ASP | -1 | -0.888 | -0.953 | 45.969 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | 1 | 239 | LEU | 0 | 0.025 | 0.035 | 42.977 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | 1 | 240 | PHE | 0 | -0.040 | -0.034 | 45.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | 1 | 241 | ASN | 0 | -0.072 | -0.039 | 49.120 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | 1 | 242 | ASN | 0 | -0.006 | -0.023 | 48.949 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | 1 | 243 | ASN | 0 | -0.035 | -0.007 | 49.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | 1 | 244 | LEU | 0 | 0.007 | 0.007 | 51.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | 1 | 245 | GLU | -1 | -0.865 | -0.929 | 53.668 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | 1 | 246 | HIS | 0 | -0.034 | -0.010 | 52.959 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | 1 | 247 | LEU | 0 | -0.072 | -0.018 | 51.337 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | 1 | 248 | SER | 0 | -0.015 | -0.020 | 55.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | 1 | 249 | GLY | 0 | 0.011 | 0.009 | 59.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | 1 | 250 | GLU | -1 | -0.823 | -0.903 | 56.572 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | 1 | 251 | PHE | 0 | -0.010 | 0.001 | 57.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | 1 | 252 | TYR | 0 | -0.019 | -0.010 | 53.567 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | 1 | 253 | GLY | 0 | 0.049 | 0.015 | 53.357 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | 1 | 254 | ASN | 0 | -0.022 | -0.018 | 53.583 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | 1 | 255 | GLN | 0 | -0.045 | -0.049 | 53.178 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | 1 | 256 | VAL | 0 | -0.022 | -0.006 | 48.205 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | 1 | 257 | LEU | 0 | 0.005 | 0.012 | 49.857 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | 1 | 258 | ASN | 0 | -0.045 | -0.017 | 51.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | 1 | 259 | ALA | 0 | -0.005 | 0.002 | 47.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | 1 | 260 | MET | 0 | -0.026 | 0.012 | 43.523 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | 1 | 261 | LYS | 1 | 0.810 | 0.887 | 48.659 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | 1 | 262 | TYR | 0 | 0.021 | 0.032 | 48.365 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | 1 | 263 | GLY | 0 | 0.021 | 0.008 | 45.074 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | 1 | 264 | THR | 0 | -0.012 | -0.031 | 41.257 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | 1 | 265 | ILE | 0 | 0.037 | 0.018 | 37.443 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | 1 | 266 | LEU | 0 | -0.012 | 0.000 | 35.928 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | 1 | 267 | LYS | 1 | 0.869 | 0.917 | 30.207 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | 1 | 268 | CYS | 0 | -0.040 | -0.035 | 30.154 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | 1 | 269 | ASP | -1 | -0.771 | -0.863 | 26.848 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | 1 | 270 | LEU | 0 | -0.037 | 0.002 | 27.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | 1 | 271 | THR | 0 | 0.026 | -0.012 | 24.787 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | 1 | 272 | ASP | -1 | -0.770 | -0.860 | 28.165 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | 1 | 273 | ASP | -1 | -0.795 | -0.865 | 24.370 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | 1 | 274 | GLY | 0 | 0.014 | 0.007 | 27.335 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | 1 | 275 | LEU | 0 | -0.070 | -0.052 | 28.358 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | 1 | 276 | ASN | 0 | 0.007 | -0.001 | 30.761 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | 1 | 277 | ALA | 0 | 0.045 | 0.033 | 28.922 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | 1 | 278 | ILE | 0 | -0.042 | -0.018 | 31.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | 1 | 279 | LEU | 0 | -0.019 | -0.032 | 33.960 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | 1 | 280 | GLN | 0 | -0.049 | -0.021 | 30.775 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | 1 | 281 | LEU | 0 | 0.031 | 0.028 | 33.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | 1 | 282 | ILE | 0 | -0.052 | -0.032 | 36.617 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | 1 | 283 | ALA | 0 | 0.004 | 0.000 | 39.105 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | 1 | 284 | ASP | -1 | -0.908 | -0.947 | 37.556 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | 1 | 285 | VAL | 0 | 0.031 | 0.013 | 40.225 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | 1 | 286 | ASN | 0 | -0.084 | -0.056 | 42.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | 1 | 287 | LEU | 0 | -0.072 | -0.013 | 43.843 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | 1 | 288 | GLN | 0 | -0.060 | -0.020 | 42.128 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | 1 | 310 | SER | 0 | 0.057 | 0.027 | 58.118 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | 1 | 311 | ASP | -1 | -0.889 | -0.930 | 58.926 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | 1 | 312 | ARG | 1 | 0.849 | 0.921 | 56.613 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | 1 | 313 | VAL | 0 | 0.038 | 0.030 | 54.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | 1 | 314 | ALA | 0 | 0.001 | -0.008 | 57.054 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | 1 | 315 | ALA | 0 | -0.028 | -0.015 | 59.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | 1 | 316 | ASN | 0 | -0.011 | -0.005 | 56.182 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | 1 | 317 | LEU | 0 | -0.002 | 0.007 | 55.377 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | 1 | 318 | ALA | 0 | 0.040 | 0.016 | 56.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | 1 | 319 | ASN | 0 | -0.024 | -0.018 | 56.781 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | 1 | 320 | ALA | 0 | 0.058 | 0.020 | 52.521 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | 1 | 321 | GLN | 0 | -0.051 | -0.049 | 53.103 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | 1 | 322 | ALA | 0 | -0.024 | 0.001 | 54.632 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | 1 | 323 | GLN | 0 | -0.009 | -0.001 | 51.456 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | 1 | 324 | VAL | 0 | -0.012 | 0.000 | 49.471 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | 1 | 325 | GLY | 0 | -0.020 | -0.003 | 49.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | 1 | 326 | LYS | 1 | 0.779 | 0.888 | 49.182 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | 1 | 327 | TYR | 0 | 0.012 | -0.011 | 41.602 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | 1 | 328 | ILE | 0 | -0.014 | -0.007 | 46.316 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | 1 | 329 | GLY | 0 | -0.004 | 0.002 | 43.517 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | 1 | 330 | ASP | -1 | -0.826 | -0.879 | 40.658 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | 1 | 331 | GLY | 0 | -0.023 | -0.006 | 39.951 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | 1 | 332 | GLN | 0 | 0.114 | 0.072 | 36.591 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | 1 | 333 | CYS | 0 | -0.019 | 0.009 | 36.875 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | 1 | 334 | TYR | 0 | 0.069 | -0.003 | 34.066 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | 1 | 335 | ALA | 0 | -0.010 | 0.003 | 40.831 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | 1 | 336 | TRP | 0 | -0.045 | -0.026 | 43.525 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | 1 | 337 | VAL | 0 | 0.012 | 0.006 | 42.733 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | 1 | 338 | GLY | 0 | 0.013 | 0.010 | 44.762 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | 1 | 339 | TRP | 0 | 0.018 | 0.005 | 46.297 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | 1 | 340 | TRP | 0 | -0.003 | -0.013 | 48.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | 1 | 341 | SER | 0 | 0.002 | -0.024 | 48.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | 1 | 342 | ALA | 0 | -0.011 | 0.011 | 50.262 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | 1 | 343 | ARG | 1 | 0.726 | 0.837 | 51.558 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | 1 | 344 | VAL | 0 | -0.029 | 0.002 | 53.339 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | 1 | 345 | CYS | 0 | -0.102 | -0.057 | 51.438 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | 1 | 346 | GLY | 0 | 0.032 | 0.018 | 53.649 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | 1 | 347 | TYR | 0 | -0.040 | -0.023 | 49.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | 1 | 348 | SER | 0 | 0.016 | 0.008 | 46.789 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | 1 | 349 | ILE | 0 | 0.012 | 0.014 | 41.077 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | 1 | 350 | SER | 0 | -0.008 | -0.029 | 41.166 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | 1 | 351 | TYR | 0 | 0.070 | 0.009 | 40.140 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | 1 | 352 | SER | 0 | -0.053 | -0.046 | 41.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | 1 | 353 | THR | 0 | -0.067 | -0.028 | 44.522 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | 1 | 354 | GLY | 0 | -0.006 | 0.007 | 47.385 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | 1 | 355 | ASP | -1 | -0.786 | -0.859 | 49.106 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | 1 | 356 | PRO | 0 | -0.038 | -0.003 | 49.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | 1 | 357 | MET | 0 | -0.020 | -0.003 | 45.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | 1 | 358 | LEU | 0 | 0.026 | 0.020 | 45.811 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | 1 | 359 | PRO | 0 | -0.025 | -0.007 | 45.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | 1 | 360 | LEU | 0 | -0.006 | 0.008 | 37.906 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | 1 | 361 | ILE | 0 | -0.051 | -0.018 | 41.357 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | 1 | 362 | GLY | 0 | 0.002 | -0.022 | 37.968 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | 1 | 363 | ASP | -1 | -0.823 | -0.882 | 33.291 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | 1 | 364 | GLY | 0 | 0.039 | 0.006 | 36.089 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | 1 | 365 | MET | 0 | -0.037 | -0.018 | 30.067 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | 1 | 366 | ASN | 0 | -0.027 | -0.037 | 30.115 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | 1 | 367 | ALA | 0 | 0.016 | 0.011 | 33.448 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | 1 | 368 | HIS | 0 | 0.001 | 0.021 | 29.843 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | 1 | 369 | SER | 0 | 0.030 | -0.001 | 34.264 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | 1 | 370 | ILE | 0 | 0.004 | 0.003 | 37.508 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | 1 | 371 | HIS | 0 | 0.040 | 0.016 | 40.162 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | 1 | 372 | LEU | 0 | -0.028 | 0.002 | 36.197 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | 1 | 373 | GLY | 0 | 0.074 | 0.023 | 39.701 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | 1 | 374 | TRP | 0 | -0.039 | -0.034 | 39.070 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | 1 | 375 | ASP | -1 | -0.793 | -0.880 | 43.781 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | 1 | 376 | TRP | 0 | 0.035 | -0.021 | 44.258 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | 1 | 377 | SER | 0 | -0.026 | -0.032 | 48.796 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | 1 | 378 | ILE | 0 | -0.095 | -0.034 | 50.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | 1 | 379 | ALA | 0 | -0.066 | -0.028 | 52.708 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | 1 | 380 | ASN | 0 | -0.024 | -0.008 | 52.724 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | 1 | 381 | THR | 0 | 0.044 | 0.015 | 48.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | 1 | 382 | GLY | 0 | -0.030 | 0.017 | 49.036 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | 1 | 383 | ILE | 0 | -0.001 | -0.020 | 46.533 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | 1 | 384 | VAL | 0 | -0.062 | -0.024 | 44.793 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | 1 | 385 | ASN | 0 | 0.035 | 0.024 | 39.276 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | 1 | 386 | TYR | 0 | -0.083 | -0.044 | 39.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | 1 | 387 | PRO | 0 | 0.039 | 0.024 | 36.467 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | 1 | 388 | VAL | 0 | 0.011 | -0.003 | 31.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | 1 | 389 | GLY | 0 | 0.025 | 0.030 | 34.158 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | 1 | 390 | THR | 0 | 0.007 | 0.005 | 36.170 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | 1 | 391 | VAL | 0 | -0.023 | -0.017 | 38.596 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | 1 | 392 | GLY | 0 | 0.106 | 0.052 | 41.701 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | 1 | 393 | ARG | 1 | 0.771 | 0.852 | 42.805 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | 1 | 394 | LYS | 1 | 0.954 | 0.945 | 46.570 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | 1 | 395 | GLU | -1 | -0.846 | -0.905 | 48.744 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | 1 | 396 | ASP | -1 | -0.847 | -0.889 | 48.488 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | 1 | 397 | LEU | 0 | 0.006 | 0.023 | 46.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | 1 | 398 | ARG | 1 | 0.847 | 0.893 | 49.868 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | 1 | 399 | VAL | 0 | 0.021 | 0.038 | 52.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | 1 | 400 | GLY | 0 | -0.025 | -0.018 | 52.142 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | 1 | 401 | ALA | 0 | 0.005 | -0.010 | 48.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | 1 | 402 | ILE | 0 | 0.009 | 0.009 | 43.805 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | 1 | 403 | TRP | 0 | 0.008 | 0.002 | 39.192 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | 1 | 404 | CYS | 0 | -0.041 | 0.014 | 38.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | 1 | 405 | ALA | 0 | 0.043 | 0.024 | 36.497 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | 1 | 406 | THR | 0 | 0.083 | 0.028 | 32.123 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | 1 | 407 | ALA | 0 | 0.019 | 0.026 | 28.251 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | 1 | 408 | PHE | 0 | 0.010 | -0.003 | 23.759 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | 1 | 409 | SER | 0 | -0.084 | -0.040 | 28.966 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | 1 | 410 | GLY | 0 | 0.080 | 0.039 | 31.039 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | 1 | 411 | ALA | 0 | 0.017 | -0.018 | 31.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | 1 | 412 | PRO | 0 | -0.028 | 0.001 | 34.863 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | 1 | 413 | PHE | 0 | -0.021 | -0.023 | 35.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | 1 | 414 | TYR | 0 | -0.024 | -0.021 | 30.138 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | 1 | 415 | THR | 0 | -0.023 | 0.008 | 30.325 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | 1 | 416 | GLY | 0 | 0.081 | 0.026 | 26.999 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | 1 | 417 | GLN | 0 | -0.057 | 0.011 | 24.224 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | 1 | 418 | TYR | 0 | -0.022 | -0.030 | 26.529 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | 1 | 419 | GLY | 0 | 0.026 | 0.020 | 30.206 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | 1 | 420 | HIS | 0 | -0.031 | -0.018 | 33.114 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | 1 | 421 | THR | 0 | -0.045 | -0.046 | 36.258 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | 1 | 422 | GLY | 0 | 0.027 | -0.002 | 39.926 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | 1 | 423 | ILE | 0 | -0.039 | 0.003 | 43.460 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | 1 | 424 | ILE | 0 | -0.011 | 0.007 | 46.804 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | 1 | 425 | GLU | -1 | -0.758 | -0.848 | 48.951 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | 1 | 426 | SER | 0 | -0.033 | -0.029 | 51.585 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | 1 | 427 | TRP | 0 | 0.006 | -0.002 | 50.774 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | 1 | 428 | SER | 0 | -0.014 | 0.010 | 51.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | 1 | 429 | ASP | -1 | -0.903 | -0.966 | 51.785 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | 1 | 430 | THR | 0 | -0.005 | 0.001 | 50.134 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | 1 | 431 | THR | 0 | -0.026 | -0.007 | 48.216 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | 1 | 432 | VAL | 0 | -0.008 | -0.009 | 45.722 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | 1 | 433 | THR | 0 | -0.018 | -0.004 | 47.527 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | 1 | 434 | VAL | 0 | -0.011 | -0.004 | 44.071 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | 1 | 435 | LEU | 0 | 0.009 | 0.010 | 47.014 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | 1 | 436 | GLU | -1 | -0.714 | -0.835 | 41.237 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | 1 | 437 | GLN | 0 | -0.018 | -0.032 | 41.920 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | 1 | 438 | ASN | 0 | -0.018 | -0.014 | 34.575 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | 1 | 439 | ILE | 0 | 0.034 | 0.026 | 36.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | 1 | 440 | LEU | 0 | 0.025 | -0.015 | 32.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | 1 | 441 | GLY | 0 | 0.002 | 0.024 | 35.753 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | 1 | 442 | SER | 0 | -0.068 | 0.002 | 37.974 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | 1 | 443 | PRO | 0 | -0.056 | -0.027 | 41.188 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | 1 | 444 | VAL | 0 | 0.013 | -0.005 | 43.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | 1 | 445 | ILE | 0 | -0.016 | -0.004 | 42.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | 1 | 446 | ARG | 1 | 0.804 | 0.870 | 46.192 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | 1 | 447 | SER | 0 | -0.026 | -0.022 | 43.476 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | 1 | 448 | THR | 0 | -0.043 | -0.026 | 45.992 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | 1 | 449 | TYR | 0 | -0.010 | -0.012 | 40.737 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | 1 | 450 | ASP | -1 | -0.736 | -0.848 | 43.255 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | 1 | 451 | LEU | 0 | -0.024 | -0.008 | 43.989 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | 1 | 452 | ASN | 0 | -0.070 | -0.053 | 43.674 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | 1 | 453 | THR | 0 | 0.019 | -0.021 | 38.340 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | 1 | 454 | PHE | 0 | -0.007 | 0.006 | 39.391 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | 1 | 455 | LEU | 0 | -0.027 | -0.011 | 40.484 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | 1 | 456 | SER | 0 | -0.028 | -0.018 | 37.206 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | 1 | 457 | THR | 0 | -0.006 | 0.009 | 35.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | 1 | 458 | LEU | 0 | -0.070 | -0.034 | 36.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | 1 | 459 | THR | 0 | 0.011 | -0.014 | 34.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | 1 | 460 | GLY | 0 | 0.037 | 0.025 | 38.105 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | 1 | 461 | LEU | 0 | -0.067 | -0.028 | 41.712 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | 1 | 462 | ILE | 0 | -0.001 | -0.005 | 43.263 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | 1 | 463 | THR | 0 | 0.016 | 0.003 | 47.394 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | 1 | 464 | PHE | 0 | -0.046 | -0.050 | 49.426 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |