![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: R9Q58
Calculation Name: 5BQ9-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5BQ9
Chain ID: B
UniProt ID: Q5ZVE4
Base Structure: X-ray
Registration Date: 2023-06-22
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 | 437 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7695148.79718 |
---|---|
FMO2-HF: Nuclear repulsion | 7522930.100129 |
FMO2-HF: Total energy | -172218.69705 |
FMO2-MP2: Total energy | -172721.177563 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026435/ligand_interaction/ligand_F026435.png)
Ligand Interaction
![ligand interaction](./Kdata/F026435/ligand_interaction/ligand_interaction_F026435.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(B:-5:ASN)
Summations of interaction energy for
fragment #1(B:-5:ASN)
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. |
-5.902 | -0.018999999999999 | 1.964 | -3.162 | -4.685 | -0.013 |
Interaction energy analysis for fragmet #1(B:-5:ASN)
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 | B | -3 | TYR | 0 | 0.018 | 0.000 | 2.659 | -7.749 | -1.901 | 1.965 | -3.162 | -4.652 | -0.013 |
4 | B | -2 | PHE | 0 | -0.002 | -0.014 | 5.377 | 0.599 | 0.634 | -0.001 | 0.000 | -0.033 | 0.000 |
5 | B | -1 | GLN | 0 | -0.002 | -0.002 | 9.048 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 0 | GLY | 0 | 0.006 | 0.025 | 12.094 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 1 | MET | 0 | -0.004 | -0.010 | 14.454 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 2 | VAL | 0 | -0.011 | 0.003 | 16.871 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 3 | THR | 0 | 0.036 | 0.014 | 14.091 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 4 | LYS | 1 | 0.808 | 0.889 | 15.441 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 5 | ILE | 0 | -0.025 | 0.004 | 18.557 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 6 | ILE | 0 | 0.022 | 0.000 | 21.688 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 7 | TRP | 0 | -0.039 | 0.004 | 24.831 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 8 | VAL | 0 | -0.002 | 0.002 | 27.580 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 9 | SER | 0 | -0.006 | -0.016 | 30.286 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 10 | ASN | 0 | 0.036 | 0.020 | 31.606 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 11 | ASN | 0 | -0.020 | -0.025 | 35.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 12 | GLY | 0 | 0.047 | 0.035 | 38.117 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 13 | LYS | 1 | 0.817 | 0.915 | 37.816 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 14 | PRO | 0 | -0.030 | -0.003 | 34.316 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 15 | ASN | 0 | 0.011 | -0.029 | 31.203 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 16 | LEU | 0 | 0.035 | 0.018 | 25.830 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 17 | LYS | 1 | 0.847 | 0.920 | 23.019 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 18 | ILE | 0 | 0.007 | -0.006 | 21.980 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 19 | GLU | -1 | -0.830 | -0.905 | 18.982 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 20 | PHE | 0 | 0.005 | -0.012 | 17.770 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 21 | VAL | 0 | 0.010 | -0.002 | 12.434 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 22 | SER | 0 | -0.002 | -0.023 | 14.946 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 23 | GLU | -1 | -0.787 | -0.873 | 17.514 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 24 | GLU | -1 | -0.844 | -0.887 | 19.101 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 25 | GLU | -1 | -0.803 | -0.923 | 16.393 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 26 | LYS | 1 | 0.800 | 0.893 | 20.269 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 27 | SER | 0 | -0.036 | -0.040 | 22.537 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 28 | ASN | 0 | -0.057 | -0.031 | 22.277 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 29 | PHE | 0 | 0.069 | 0.029 | 22.991 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 30 | PHE | 0 | -0.015 | -0.017 | 25.069 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 31 | LYS | 1 | 0.869 | 0.936 | 27.962 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 32 | GLU | -1 | -0.816 | -0.899 | 25.751 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 33 | VAL | 0 | 0.005 | 0.003 | 27.571 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 34 | LYS | 1 | 0.829 | 0.914 | 30.369 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 35 | LYS | 1 | 0.911 | 0.972 | 32.961 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 36 | LYS | 1 | 0.891 | 0.937 | 32.431 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 37 | ALA | 0 | 0.027 | 0.003 | 34.328 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 38 | SER | 0 | -0.020 | -0.025 | 36.143 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 39 | GLU | -1 | -0.871 | -0.923 | 36.567 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 40 | LEU | 0 | -0.039 | -0.002 | 35.936 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 41 | GLY | 0 | 0.012 | 0.024 | 39.900 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 42 | LEU | 0 | -0.036 | -0.020 | 37.924 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 43 | ASN | 0 | 0.019 | 0.011 | 38.833 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 44 | PHE | 0 | 0.073 | 0.031 | 31.012 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 45 | PRO | 0 | 0.001 | 0.022 | 35.361 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 46 | LEU | 0 | -0.016 | -0.005 | 28.053 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 47 | VAL | 0 | -0.007 | -0.010 | 31.037 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 48 | GLN | 0 | -0.017 | -0.021 | 28.542 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 49 | GLY | 0 | 0.019 | -0.001 | 27.420 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 50 | SER | 0 | 0.015 | 0.003 | 25.824 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 51 | GLY | 0 | 0.047 | 0.029 | 23.082 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 52 | ASN | 0 | 0.040 | 0.048 | 17.232 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 53 | SER | 0 | -0.020 | -0.023 | 21.063 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 54 | LEU | 0 | -0.060 | -0.018 | 23.619 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 55 | LEU | 0 | 0.013 | -0.004 | 26.213 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 56 | ILE | 0 | -0.028 | 0.002 | 28.665 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 57 | GLU | -1 | -0.790 | -0.872 | 31.136 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 58 | ALA | 0 | 0.005 | -0.005 | 34.344 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 59 | SER | 0 | -0.039 | -0.036 | 36.732 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 60 | ASN | 0 | -0.035 | -0.015 | 39.504 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 61 | TYR | 0 | 0.027 | 0.038 | 43.072 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 62 | PRO | 0 | 0.017 | -0.005 | 45.232 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 63 | ILE | 0 | -0.012 | -0.004 | 46.588 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 64 | ASN | 0 | 0.003 | -0.022 | 40.188 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 65 | PRO | 0 | 0.023 | 0.019 | 41.982 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 66 | CYS | 0 | -0.052 | -0.003 | 37.723 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 67 | GLY | 0 | 0.022 | 0.000 | 35.328 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 68 | CYS | 0 | -0.074 | -0.015 | 32.242 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 69 | TYR | 0 | 0.024 | 0.002 | 34.870 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 70 | ILE | 0 | 0.028 | 0.017 | 35.989 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 71 | SER | 0 | -0.011 | -0.003 | 36.315 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 72 | PRO | 0 | 0.055 | 0.002 | 38.782 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 73 | GLY | 0 | 0.033 | 0.018 | 38.988 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 74 | GLY | 0 | -0.037 | -0.019 | 37.408 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 75 | LYS | 1 | 0.870 | 0.936 | 33.654 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 76 | LEU | 0 | 0.032 | 0.038 | 29.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 77 | ALA | 0 | -0.004 | -0.002 | 32.539 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 78 | ILE | 0 | 0.005 | -0.005 | 29.764 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 79 | ASN | 0 | -0.002 | 0.016 | 33.958 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 80 | PHE | 0 | 0.045 | -0.011 | 30.167 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 81 | GLY | 0 | 0.058 | 0.032 | 35.777 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 82 | LYS | 1 | 0.830 | 0.898 | 37.995 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 83 | VAL | 0 | 0.071 | 0.046 | 35.936 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 84 | GLU | -1 | -0.808 | -0.917 | 34.675 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 85 | LEU | 0 | -0.027 | -0.009 | 32.561 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 86 | SER | 0 | -0.035 | -0.018 | 31.343 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 87 | HIS | 0 | -0.015 | -0.020 | 29.683 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 88 | PHE | 0 | -0.017 | -0.003 | 28.857 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 89 | ILE | 0 | -0.016 | -0.004 | 26.841 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 90 | LEU | 0 | 0.001 | -0.004 | 25.177 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 91 | PRO | 0 | -0.002 | -0.004 | 23.101 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 92 | LYS | 1 | 0.812 | 0.907 | 21.333 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 93 | VAL | 0 | -0.017 | -0.021 | 20.522 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 94 | GLY | 0 | 0.021 | 0.024 | 19.498 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 95 | VAL | 0 | -0.037 | -0.010 | 20.451 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 96 | LYS | 1 | 0.971 | 0.964 | 19.695 | 0.504 | 0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 97 | THR | 0 | 0.051 | 0.008 | 25.038 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 98 | GLU | -1 | -0.813 | -0.881 | 22.154 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 99 | HIS | 0 | 0.038 | 0.021 | 20.500 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 100 | ALA | 0 | 0.018 | -0.002 | 25.515 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 101 | GLU | -1 | -0.826 | -0.894 | 29.045 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 102 | ILE | 0 | -0.059 | -0.023 | 27.478 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 103 | PHE | 0 | 0.045 | 0.018 | 32.118 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 104 | LYS | 1 | 0.859 | 0.919 | 31.251 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 105 | ASP | -1 | -0.872 | -0.924 | 36.328 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 106 | HIS | 0 | 0.018 | 0.009 | 37.800 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 107 | ASN | 0 | -0.016 | -0.002 | 37.255 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 108 | THR | 0 | -0.047 | -0.035 | 36.265 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 109 | ILE | 0 | -0.012 | 0.009 | 30.488 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 110 | PHE | 0 | 0.014 | -0.005 | 33.208 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 111 | PHE | 0 | 0.018 | 0.004 | 25.733 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 112 | HIS | 0 | 0.003 | 0.001 | 27.633 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 113 | LYS | 1 | 0.942 | 0.955 | 29.055 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 114 | HIS | 0 | -0.046 | -0.015 | 27.703 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 115 | LYS | 1 | 0.798 | 0.893 | 22.875 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 116 | LEU | 0 | -0.013 | 0.004 | 25.166 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 117 | PRO | 0 | 0.007 | 0.003 | 27.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 118 | GLY | 0 | 0.014 | 0.000 | 29.943 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 119 | VAL | 0 | -0.015 | -0.001 | 30.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 120 | ASN | 0 | -0.001 | -0.002 | 28.844 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 121 | SER | 0 | -0.028 | -0.004 | 26.099 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 122 | GLU | -1 | -0.805 | -0.906 | 19.477 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 123 | LEU | 0 | -0.014 | 0.005 | 19.593 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 124 | THR | 0 | -0.010 | -0.014 | 14.900 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 125 | PHE | 0 | -0.023 | -0.013 | 15.234 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 126 | ILE | 0 | 0.018 | 0.022 | 9.454 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 127 | PRO | 0 | 0.005 | -0.018 | 8.218 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 128 | THR | 0 | -0.067 | -0.030 | 10.627 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 129 | GLY | 0 | 0.059 | 0.042 | 8.922 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 130 | THR | 0 | -0.046 | -0.042 | 7.168 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 131 | PRO | 0 | -0.019 | -0.001 | 7.390 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 132 | VAL | 0 | 0.009 | 0.013 | 5.793 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 133 | ILE | 0 | 0.001 | 0.001 | 8.368 | -0.425 | -0.425 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 134 | VAL | 0 | 0.000 | 0.012 | 7.375 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 225 | CYM | -1 | -0.728 | -0.738 | 60.400 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 226 | TYR | 0 | 0.004 | -0.021 | 55.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 227 | ILE | 0 | -0.019 | -0.011 | 55.161 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 228 | SER | 0 | -0.018 | -0.009 | 54.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 298 | ASP | -1 | -0.716 | -0.841 | 41.765 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 299 | TYR | 0 | -0.006 | -0.021 | 36.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 300 | LEU | 0 | 0.016 | 0.018 | 38.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 301 | LEU | 0 | 0.000 | 0.010 | 36.960 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 302 | SER | 0 | -0.048 | -0.023 | 34.753 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 303 | ALA | 0 | 0.019 | 0.002 | 29.640 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 304 | ASN | 0 | -0.031 | -0.033 | 31.655 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 305 | GLY | 0 | -0.002 | 0.011 | 33.603 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 306 | SER | 0 | 0.014 | -0.002 | 32.209 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 307 | LYS | 1 | 0.863 | 0.917 | 27.279 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 308 | ALA | 0 | -0.020 | 0.011 | 32.273 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 309 | ILE | 0 | 0.018 | 0.003 | 35.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 310 | ASP | -1 | -0.851 | -0.924 | 32.537 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 311 | PHE | 0 | -0.017 | -0.005 | 33.507 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 312 | VAL | 0 | -0.008 | -0.006 | 34.900 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 313 | TRP | 0 | 0.033 | 0.020 | 36.237 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 314 | SER | 0 | -0.015 | -0.021 | 34.283 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 315 | ASN | 0 | -0.025 | -0.019 | 33.707 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 316 | PHE | 0 | -0.022 | -0.008 | 37.414 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 317 | LEU | 0 | -0.005 | -0.009 | 41.196 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 318 | LYS | 1 | 0.891 | 0.972 | 34.739 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 319 | HIS | 0 | -0.019 | 0.000 | 37.943 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 320 | PRO | 0 | 0.006 | -0.012 | 43.044 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 321 | TYR | 0 | -0.019 | -0.010 | 46.471 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 322 | ASN | 0 | 0.006 | -0.004 | 48.544 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 323 | PRO | 0 | 0.012 | -0.013 | 48.921 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 324 | LYS | 1 | 0.913 | 0.952 | 50.953 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 325 | LEU | 0 | 0.018 | 0.008 | 51.364 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 326 | LYS | 1 | 0.892 | 0.969 | 54.261 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 327 | GLN | 0 | 0.014 | 0.008 | 56.021 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 328 | PRO | 0 | 0.049 | 0.027 | 58.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 329 | ASP | -1 | -0.815 | -0.880 | 59.897 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 330 | ALA | 0 | 0.050 | 0.004 | 61.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 331 | ASN | 0 | -0.004 | 0.007 | 63.410 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 332 | VAL | 0 | 0.012 | 0.000 | 61.874 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 333 | LYS | 1 | 0.767 | 0.891 | 62.658 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 334 | ALA | 0 | 0.066 | 0.037 | 66.408 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 335 | ALA | 0 | -0.075 | -0.033 | 67.640 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 336 | TRP | 0 | -0.017 | -0.039 | 62.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 337 | GLU | -1 | -0.851 | -0.922 | 68.726 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 338 | LYS | 1 | 0.878 | 0.963 | 71.501 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 339 | HIS | 1 | 0.769 | 0.884 | 71.124 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 340 | ALA | 0 | 0.039 | 0.018 | 73.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 341 | ASP | -1 | -0.863 | -0.925 | 73.908 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 342 | TRP | 0 | -0.078 | -0.050 | 67.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 343 | GLU | -1 | -0.841 | -0.900 | 67.014 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 344 | HIS | 0 | 0.018 | 0.000 | 67.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 345 | TRP | 0 | 0.036 | -0.004 | 62.991 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 346 | SER | 0 | 0.035 | 0.009 | 62.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 347 | ASN | 0 | -0.060 | -0.040 | 61.762 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 348 | MET | 0 | -0.101 | -0.040 | 57.057 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 349 | GLY | 0 | 0.024 | 0.004 | 57.111 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 350 | GLN | 0 | -0.042 | -0.015 | 57.788 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 351 | ASP | -1 | -0.799 | -0.883 | 55.448 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 352 | TRP | 0 | 0.013 | 0.009 | 51.221 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 353 | SER | 0 | -0.024 | -0.031 | 50.940 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 354 | LEU | 0 | -0.016 | 0.007 | 51.321 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 355 | ASN | 0 | -0.002 | 0.000 | 51.119 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 356 | THR | 0 | -0.006 | -0.009 | 49.008 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 357 | PRO | 0 | -0.001 | -0.014 | 49.819 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 358 | SER | 0 | -0.018 | 0.005 | 44.933 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 359 | GLY | 0 | 0.034 | 0.024 | 44.934 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 360 | LEU | 0 | -0.043 | -0.011 | 46.947 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 361 | VAL | 0 | 0.021 | 0.023 | 46.925 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 362 | PRO | 0 | 0.005 | 0.006 | 44.622 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 363 | ARG | 1 | 0.859 | 0.917 | 45.852 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 364 | PRO | 0 | 0.013 | 0.021 | 49.901 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 365 | ASN | 0 | 0.015 | -0.003 | 51.132 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 366 | HIS | 1 | 0.742 | 0.851 | 50.337 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 367 | GLY | 0 | 0.113 | 0.077 | 46.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 368 | ILE | 0 | -0.002 | 0.005 | 41.032 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 369 | ALA | 0 | 0.063 | 0.036 | 44.716 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 370 | HIS | 0 | -0.032 | -0.023 | 47.391 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 371 | THR | 0 | -0.025 | -0.022 | 43.960 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 372 | LEU | 0 | 0.006 | -0.012 | 41.117 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 373 | ARG | 1 | 0.739 | 0.834 | 45.214 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 374 | VAL | 0 | -0.006 | -0.001 | 47.970 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 375 | ALA | 0 | 0.020 | 0.007 | 44.390 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 376 | GLN | 0 | -0.022 | -0.023 | 45.150 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 377 | LEU | 0 | 0.030 | 0.016 | 47.298 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 378 | VAL | 0 | -0.019 | -0.002 | 47.846 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 379 | PRO | 0 | -0.019 | -0.024 | 46.503 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 380 | VAL | 0 | 0.007 | 0.018 | 49.206 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 381 | ILE | 0 | 0.010 | 0.009 | 52.397 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 382 | ALA | 0 | 0.001 | -0.003 | 51.533 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 383 | GLU | -1 | -0.760 | -0.877 | 51.788 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 384 | PHE | 0 | 0.023 | 0.007 | 54.613 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 385 | LEU | 0 | -0.003 | 0.001 | 56.000 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 386 | LYS | 1 | 0.729 | 0.884 | 51.010 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 387 | ALA | 0 | -0.006 | 0.000 | 57.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 388 | TYR | 0 | -0.027 | -0.032 | 60.328 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 389 | SER | 0 | -0.017 | -0.022 | 60.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 390 | GLY | 0 | 0.002 | 0.010 | 63.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 391 | ASP | -1 | -0.791 | -0.873 | 62.036 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 392 | PRO | 0 | 0.033 | -0.005 | 60.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 393 | LYS | 1 | 0.797 | 0.879 | 57.509 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 394 | PHE | 0 | 0.006 | -0.004 | 55.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 395 | GLN | 0 | -0.020 | -0.006 | 55.558 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 396 | LYS | 1 | 0.893 | 0.949 | 54.791 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 397 | LEU | 0 | -0.012 | 0.022 | 50.822 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 398 | THR | 0 | -0.010 | -0.045 | 47.562 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 399 | GLN | 0 | 0.008 | -0.014 | 42.314 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 400 | LYS | 1 | 0.907 | 0.953 | 38.492 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 401 | GLU | -1 | -0.819 | -0.881 | 44.003 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 402 | ILE | 0 | 0.022 | 0.021 | 46.706 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 403 | GLN | 0 | -0.024 | -0.009 | 39.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 404 | LYS | 1 | 0.806 | 0.891 | 41.968 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 405 | ALA | 0 | 0.041 | 0.019 | 43.546 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 406 | GLN | 0 | -0.043 | -0.039 | 42.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 407 | TYR | 0 | -0.028 | -0.023 | 36.043 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 408 | MET | 0 | -0.007 | -0.006 | 41.648 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 409 | MET | 0 | -0.013 | 0.010 | 43.747 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 410 | LEU | 0 | -0.009 | 0.018 | 39.199 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 411 | PHE | 0 | 0.015 | -0.013 | 37.542 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 412 | SER | 0 | -0.039 | -0.016 | 43.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 413 | VAL | 0 | 0.033 | 0.005 | 46.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 414 | ILE | 0 | -0.038 | -0.003 | 41.147 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 415 | GLY | 0 | 0.022 | 0.013 | 44.746 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 416 | ARG | 1 | 0.766 | 0.882 | 46.420 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 417 | GLU | -1 | -0.829 | -0.909 | 47.717 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 418 | ASN | 0 | 0.000 | -0.043 | 49.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 419 | ASP | -1 | -0.738 | -0.817 | 53.192 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 420 | MET | 0 | -0.003 | 0.070 | 55.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 421 | SER | 0 | 0.049 | 0.008 | 57.669 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 422 | TRP | 0 | 0.048 | 0.017 | 57.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 423 | THR | 0 | 0.011 | -0.008 | 60.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 424 | ASP | -1 | -0.769 | -0.856 | 61.134 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 425 | ALA | 0 | -0.009 | 0.001 | 58.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 426 | ASN | 0 | 0.021 | 0.014 | 60.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 427 | HIS | 1 | 0.862 | 0.952 | 63.325 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 428 | TYR | 0 | 0.071 | 0.025 | 58.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 429 | GLN | 0 | -0.039 | -0.025 | 59.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 430 | GLN | 0 | -0.057 | -0.038 | 62.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 431 | ALA | 0 | 0.027 | 0.005 | 64.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 432 | PHE | 0 | 0.004 | -0.009 | 58.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 433 | LYS | 1 | 0.882 | 0.951 | 63.834 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 434 | GLU | -1 | -0.819 | -0.888 | 66.137 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 435 | ALA | 0 | -0.019 | -0.006 | 65.577 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 436 | TYR | 0 | -0.065 | -0.051 | 61.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 437 | ASN | 0 | -0.019 | -0.013 | 65.621 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 438 | GLY | 0 | 0.018 | 0.009 | 67.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 439 | GLN | 0 | -0.047 | -0.010 | 59.402 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 440 | TYR | 0 | 0.023 | 0.002 | 56.938 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 441 | SER | 0 | 0.002 | 0.002 | 57.778 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 442 | LYS | 1 | 0.898 | 0.943 | 49.729 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 443 | HIS | 0 | 0.033 | 0.016 | 56.150 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 444 | ILE | 0 | 0.064 | 0.024 | 53.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 445 | TYR | 0 | 0.022 | -0.010 | 53.196 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 446 | ALA | 0 | 0.007 | 0.016 | 52.764 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 447 | THR | 0 | -0.018 | -0.015 | 49.137 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 448 | PHE | 0 | 0.019 | 0.010 | 48.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 449 | LYS | 1 | 0.868 | 0.929 | 48.131 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 450 | GLU | -1 | -0.814 | -0.885 | 45.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 451 | ASN | 0 | -0.084 | -0.048 | 44.428 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 452 | ALA | 0 | 0.027 | 0.005 | 43.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 453 | GLN | 0 | -0.045 | -0.031 | 42.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 454 | LYS | 1 | 0.869 | 0.925 | 40.726 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 455 | GLY | 0 | 0.020 | 0.010 | 38.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 456 | PHE | 0 | 0.003 | -0.009 | 37.882 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 457 | LEU | 0 | 0.020 | 0.006 | 37.801 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 458 | ASN | 0 | 0.000 | 0.009 | 33.348 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 459 | HIS | 0 | -0.041 | -0.015 | 33.151 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 460 | VAL | 0 | 0.045 | 0.016 | 33.064 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 461 | VAL | 0 | -0.051 | -0.038 | 32.465 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 462 | THR | 0 | -0.041 | -0.015 | 28.228 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 463 | ASN | 0 | -0.012 | -0.014 | 28.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 464 | LYS | 1 | 0.897 | 0.939 | 30.515 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 465 | SER | 0 | -0.022 | -0.010 | 26.721 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 466 | SER | 0 | 0.075 | 0.050 | 28.199 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 467 | LEU | 0 | 0.002 | 0.040 | 30.418 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 468 | ILE | 0 | 0.021 | 0.055 | 33.453 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 469 | PRO | 0 | -0.024 | -0.022 | 33.166 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 470 | SER | 0 | -0.083 | -0.065 | 33.618 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 471 | LEU | 0 | -0.034 | -0.002 | 35.768 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 472 | PHE | 0 | 0.019 | -0.004 | 37.872 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 473 | SER | 0 | -0.025 | -0.038 | 38.634 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 474 | ASP | -1 | -0.795 | -0.871 | 38.631 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 475 | GLU | -1 | -0.775 | -0.899 | 35.743 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 476 | SER | 0 | 0.008 | -0.006 | 39.634 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 477 | GLU | -1 | -0.785 | -0.862 | 42.401 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 478 | LEU | 0 | -0.030 | -0.018 | 36.790 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 479 | GLN | 0 | -0.034 | -0.026 | 41.449 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 480 | TYR | 0 | 0.020 | 0.013 | 43.747 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 481 | TRP | 0 | -0.014 | -0.042 | 43.593 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 482 | ALA | 0 | -0.004 | 0.002 | 42.527 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 483 | GLU | -1 | -0.891 | -0.920 | 44.489 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 484 | ALA | 0 | -0.009 | -0.001 | 48.051 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 485 | LEU | 0 | -0.029 | -0.006 | 43.800 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 486 | ASP | -1 | -0.807 | -0.888 | 47.835 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 487 | THR | 0 | -0.043 | -0.025 | 50.061 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 488 | GLY | 0 | -0.027 | -0.017 | 50.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 489 | LYS | 1 | 0.803 | 0.881 | 51.965 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 490 | PRO | 0 | 0.021 | 0.014 | 49.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 491 | GLY | 0 | 0.003 | 0.007 | 51.701 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 492 | ILE | 0 | -0.037 | -0.019 | 50.737 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 493 | SER | 0 | 0.000 | -0.001 | 54.913 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 494 | SER | 0 | 0.017 | 0.015 | 52.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 495 | ALA | 0 | 0.032 | 0.017 | 54.549 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 496 | SER | 0 | 0.061 | 0.017 | 50.109 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 497 | GLY | 0 | 0.029 | 0.011 | 51.863 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 498 | ILE | 0 | 0.002 | -0.007 | 53.420 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 499 | LEU | 0 | -0.014 | 0.012 | 50.684 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 500 | MET | 0 | -0.033 | -0.015 | 47.529 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 501 | ALA | 0 | -0.009 | -0.001 | 51.963 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 502 | LEU | 0 | 0.043 | 0.008 | 55.100 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 503 | ALA | 0 | -0.025 | -0.011 | 51.476 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 504 | HIS | 0 | 0.001 | 0.003 | 52.215 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 505 | ASP | -1 | -0.791 | -0.888 | 54.005 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 506 | LEU | 0 | 0.037 | 0.012 | 56.078 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 507 | ASP | -1 | -0.683 | -0.817 | 53.056 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 508 | LEU | 0 | -0.026 | -0.004 | 55.539 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 509 | MET | 0 | -0.049 | 0.018 | 58.259 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 510 | ARG | 1 | 0.881 | 0.927 | 53.795 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 511 | CYS | 0 | -0.056 | -0.019 | 58.286 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 512 | TYR | 0 | -0.100 | -0.139 | 60.230 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 513 | ASP | -1 | -0.748 | -0.867 | 63.305 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 514 | LYS | 1 | 0.910 | 0.941 | 66.361 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 515 | GLY | 0 | 0.005 | 0.023 | 67.792 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 516 | LYS | 1 | 0.849 | 0.904 | 63.863 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 517 | PHE | 0 | 0.007 | 0.000 | 60.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 518 | ASN | 0 | 0.016 | 0.006 | 65.484 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 519 | SER | 0 | -0.063 | -0.061 | 68.159 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 520 | LEU | 0 | 0.008 | -0.006 | 65.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 521 | LYS | 1 | 0.814 | 0.927 | 60.646 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 522 | MET | 0 | -0.014 | 0.004 | 63.880 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 523 | LYS | 1 | 0.961 | 0.974 | 65.493 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 524 | ASP | -1 | -0.846 | -0.891 | 63.063 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 525 | LEU | 0 | 0.029 | 0.004 | 59.760 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 526 | VAL | 0 | 0.028 | 0.009 | 63.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 527 | ALA | 0 | -0.022 | 0.004 | 66.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 528 | ARG | 1 | 0.821 | 0.884 | 60.761 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 529 | LEU | 0 | -0.045 | -0.017 | 60.075 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 530 | GLY | 0 | 0.056 | 0.029 | 64.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 531 | GLY | 0 | -0.017 | -0.006 | 67.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 532 | ASN | 0 | -0.026 | -0.010 | 65.766 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 533 | GLU | -1 | -0.894 | -0.962 | 66.267 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 534 | ASP | -1 | -0.893 | -0.939 | 66.721 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 535 | ALA | 0 | -0.056 | -0.016 | 62.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 536 | ALA | 0 | 0.041 | 0.001 | 61.954 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 537 | LYS | 1 | 0.842 | 0.904 | 62.398 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 538 | LYS | 1 | 0.873 | 0.939 | 59.695 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 539 | LEU | 0 | -0.019 | -0.007 | 55.843 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 540 | ALA | 0 | 0.023 | 0.002 | 57.777 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 541 | ASP | -1 | -0.802 | -0.873 | 59.417 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 542 | TYR | 0 | 0.035 | 0.019 | 50.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 543 | ALA | 0 | 0.008 | 0.006 | 54.688 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 544 | HIS | 1 | 0.836 | 0.875 | 55.351 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 545 | ASP | -1 | -0.862 | -0.913 | 55.514 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 546 | LEU | 0 | -0.010 | -0.001 | 49.530 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 547 | ILE | 0 | -0.005 | -0.015 | 51.746 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 548 | VAL | 0 | -0.008 | 0.001 | 53.515 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 549 | ALA | 0 | -0.017 | 0.006 | 50.402 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 550 | THR | 0 | -0.017 | -0.034 | 47.969 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 551 | GLY | 0 | -0.005 | -0.016 | 50.160 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 552 | ASP | -1 | -0.786 | -0.889 | 52.448 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 553 | ARG | 1 | 0.767 | 0.880 | 54.141 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 554 | CYS | 0 | -0.058 | -0.031 | 57.544 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 555 | MET | 0 | -0.002 | 0.001 | 60.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 556 | GLY | 0 | 0.004 | 0.001 | 62.370 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 557 | TYR | 0 | -0.052 | -0.083 | 61.605 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 558 | GLY | 0 | 0.043 | 0.030 | 63.076 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 559 | VAL | 0 | -0.013 | -0.009 | 62.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 560 | THR | 0 | -0.019 | 0.010 | 62.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 561 | GLN | 0 | -0.050 | -0.028 | 56.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 562 | ASP | -1 | -0.750 | -0.854 | 60.121 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 563 | TYR | 0 | -0.034 | -0.035 | 53.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 564 | ASN | 0 | 0.010 | 0.021 | 54.207 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 565 | TYR | 0 | 0.007 | -0.039 | 53.192 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 566 | SER | 0 | 0.002 | -0.013 | 51.058 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 567 | LEU | 0 | -0.054 | -0.010 | 48.715 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 568 | PHE | 0 | 0.067 | 0.034 | 48.595 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 569 | GLY | 0 | 0.016 | 0.005 | 48.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 570 | LYS | 1 | 0.928 | 0.967 | 44.712 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 571 | CYS | 0 | -0.027 | -0.003 | 43.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 572 | SER | 0 | -0.035 | -0.036 | 44.298 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 573 | LEU | 0 | -0.046 | -0.029 | 42.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 574 | ASP | -1 | -0.800 | -0.891 | 38.147 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 575 | PRO | 0 | 0.025 | 0.011 | 37.894 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 576 | ASN | 0 | -0.017 | -0.005 | 35.948 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 577 | GLU | -1 | -0.851 | -0.915 | 38.606 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 578 | CYS | 0 | -0.014 | 0.001 | 41.730 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 579 | LEU | 0 | -0.039 | -0.012 | 38.963 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 580 | LYS | 1 | 0.877 | 0.934 | 38.880 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 581 | GLN | 0 | -0.030 | -0.022 | 43.015 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 582 | LEU | 0 | -0.043 | -0.011 | 45.008 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 583 | GLN | 0 | -0.028 | -0.032 | 40.507 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 584 | SER | 0 | -0.077 | -0.033 | 45.764 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 585 | ILE | 0 | 0.003 | 0.013 | 48.293 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 586 | PRO | 0 | 0.002 | -0.014 | 50.604 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 587 | LYS | 1 | 0.866 | 0.925 | 46.093 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 588 | PRO | 0 | -0.023 | 0.003 | 52.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 589 | GLU | -1 | -0.824 | -0.887 | 55.454 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 590 | THR | 0 | -0.079 | -0.046 | 56.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |