FMODB ID: V27L1
Calculation Name: 3A1J-B-Xray307
Preferred Name:
Target Type:
Ligand Name: sucrose
ligand 3-letter code: SUC
PDB ID: 3A1J
Chain ID: B
UniProt ID: O60921
Base Structure: X-ray
Registration Date: 2021-09-06
Reference: C. Watanabe, S. Koyama, K. Kamisaka, D. Takaya, T. Honma et. al., Interaction energy analysis of Apo structure dataset on FMODB, To be pubulished.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 1.20200116 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 273 |
LigandCharge | |
Software | MIZUHO/ABINIT-MP 3.0 |
Total energy (hartree)
FMO2-HF: Electronic energy | -3681856.822253 |
---|---|
FMO2-HF: Nuclear repulsion | 3572410.649601 |
FMO2-HF: Total energy | -109446.172653 |
FMO2-MP2: Total energy | -109759.502096 |
3D Structure
Ligand structure
Ligand Interaction
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:0:HIS )
Summations of interaction energy for
fragment #1(B:0:HIS )
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. |
-23.066 | -17.184 | 3.699 | -3.747 | -5.834 | 0.012 |
Interaction energy analysis for fragmet #1(B:0:HIS )
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 | 2 | LYS | 1 | 0.773 | 0.890 | 2.587 | -20.649 | -17.046 | 1.854 | -2.220 | -3.236 | 0.027 |
4 | B | 3 | PHE | 0 | 0.064 | 0.031 | 6.284 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 4 | ARG | 1 | 0.904 | 0.944 | 9.952 | -1.183 | -1.183 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 5 | ALA | 0 | 0.029 | 0.032 | 12.320 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 6 | LYS | 1 | 0.914 | 0.946 | 15.951 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 7 | ILE | 0 | 0.049 | 0.041 | 19.310 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 8 | VAL | 0 | -0.029 | -0.020 | 22.958 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 9 | ASP | -1 | -0.763 | -0.871 | 25.738 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 10 | GLY | 0 | 0.043 | 0.020 | 28.582 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 11 | ALA | 0 | 0.039 | 0.033 | 31.064 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 12 | CYS | 0 | 0.013 | 0.012 | 26.694 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 13 | LEU | 0 | -0.053 | -0.020 | 25.882 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 14 | ASN | 0 | -0.085 | -0.064 | 27.681 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 15 | HIS | 0 | 0.057 | 0.029 | 29.166 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 16 | PHE | 0 | 0.058 | 0.023 | 20.967 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 17 | THR | 0 | -0.030 | -0.034 | 26.808 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 18 | ARG | 1 | 0.784 | 0.882 | 28.324 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 19 | ILE | 0 | 0.038 | 0.029 | 26.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 20 | SER | 0 | 0.009 | 0.000 | 25.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 21 | ASN | 0 | -0.013 | -0.026 | 26.773 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 22 | MET | 0 | -0.023 | 0.014 | 29.877 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 23 | ILE | 0 | 0.034 | 0.004 | 24.720 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 24 | ALA | 0 | -0.052 | -0.030 | 28.071 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 25 | LYS | 1 | 0.842 | 0.930 | 28.889 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 26 | LEU | 0 | -0.011 | -0.008 | 29.969 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 27 | ALA | 0 | 0.037 | 0.035 | 27.388 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 28 | LYS | 1 | 0.951 | 0.986 | 27.827 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 29 | THR | 0 | -0.024 | -0.029 | 22.725 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 30 | CYS | 0 | -0.021 | 0.019 | 22.618 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 31 | THR | 0 | 0.036 | 0.007 | 17.548 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 32 | LEU | 0 | -0.008 | 0.004 | 15.974 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 33 | ARG | 1 | 0.863 | 0.931 | 15.781 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 34 | ILE | 0 | -0.016 | -0.015 | 12.130 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 35 | SER | 0 | -0.013 | -0.019 | 13.282 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 36 | PRO | 0 | -0.002 | -0.023 | 12.921 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 37 | ASP | -1 | -0.839 | -0.920 | 14.438 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 38 | LYS | 1 | 0.877 | 0.940 | 17.831 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 39 | LEU | 0 | -0.038 | -0.024 | 16.620 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 40 | ASN | 0 | -0.016 | 0.002 | 19.103 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 41 | PHE | 0 | -0.046 | -0.019 | 20.078 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 42 | ILE | 0 | -0.001 | -0.006 | 19.921 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 43 | LEU | 0 | -0.017 | -0.004 | 23.159 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 44 | CYS | 0 | 0.047 | 0.024 | 24.887 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 45 | ASP | -1 | -0.939 | -0.976 | 26.770 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 46 | LYS | 1 | 0.994 | 1.016 | 28.658 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 47 | LEU | 0 | -0.073 | -0.050 | 31.194 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 48 | ALA | 0 | 0.033 | 0.011 | 34.290 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 49 | ASN | 0 | 0.083 | 0.036 | 37.631 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 50 | GLY | 0 | -0.015 | -0.045 | 36.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 51 | GLY | 0 | -0.041 | -0.015 | 32.989 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 52 | VAL | 0 | -0.001 | -0.001 | 32.627 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 53 | SER | 0 | 0.005 | 0.007 | 29.020 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 54 | MET | 0 | -0.085 | -0.034 | 25.730 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 55 | TRP | 0 | 0.054 | 0.025 | 21.353 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 56 | CYS | 0 | -0.020 | -0.008 | 25.369 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 57 | GLU | -1 | -0.865 | -0.930 | 23.382 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 58 | LEU | 0 | -0.022 | -0.013 | 22.628 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 59 | GLU | -1 | -0.754 | -0.873 | 22.544 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 60 | GLN | 0 | -0.059 | -0.026 | 17.442 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 61 | GLU | -1 | -0.874 | -0.958 | 20.997 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 62 | ASN | 0 | -0.038 | -0.015 | 22.784 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 63 | PHE | 0 | -0.042 | -0.032 | 23.167 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 64 | PHE | 0 | -0.055 | -0.041 | 19.694 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 65 | ASN | 0 | 0.038 | 0.022 | 21.541 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 66 | GLU | -1 | -1.013 | -1.015 | 17.070 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 67 | PHE | 0 | 0.028 | 0.017 | 15.021 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 68 | GLN | 0 | -0.013 | -0.008 | 10.363 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 69 | MET | 0 | -0.020 | -0.004 | 9.261 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 70 | GLU | -1 | -0.894 | -0.935 | 2.892 | -0.083 | 2.159 | 1.847 | -1.506 | -2.584 | -0.015 |
72 | B | 71 | GLY | 0 | 0.045 | 0.001 | 6.334 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 72 | VAL | 0 | -0.059 | -0.030 | 5.029 | 0.441 | 0.355 | -0.001 | -0.015 | 0.102 | 0.000 |
74 | B | 73 | SER | 0 | -0.026 | -0.021 | 4.894 | 0.116 | 0.239 | -0.001 | -0.006 | -0.116 | 0.000 |
75 | B | 74 | ALA | 0 | 0.037 | 0.011 | 6.745 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 75 | GLU | -1 | -0.922 | -0.952 | 9.010 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 76 | ASN | 0 | -0.019 | 0.017 | 10.512 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 77 | ASN | 0 | 0.079 | 0.033 | 8.828 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 78 | GLU | -1 | -0.784 | -0.891 | 10.098 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 79 | ILE | 0 | -0.021 | -0.013 | 8.180 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 80 | TYR | 0 | 0.039 | 0.029 | 11.228 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 81 | LEU | 0 | -0.038 | -0.016 | 11.813 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 82 | GLU | -1 | -0.908 | -0.936 | 14.519 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 83 | LEU | 0 | 0.002 | -0.014 | 17.498 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 84 | THR | 0 | 0.010 | 0.008 | 19.746 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 85 | SER | 0 | 0.064 | 0.023 | 23.317 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 86 | GLU | -1 | -0.756 | -0.870 | 24.952 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 87 | ASN | 0 | -0.078 | -0.030 | 22.580 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 88 | LEU | 0 | 0.042 | 0.023 | 20.943 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 89 | SER | 0 | 0.032 | 0.015 | 23.428 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 90 | ARG | 1 | 0.790 | 0.865 | 26.865 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 91 | ALA | 0 | -0.011 | -0.011 | 23.243 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 92 | LEU | 0 | -0.017 | 0.000 | 23.606 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 93 | LYS | 1 | 0.967 | 1.000 | 26.910 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 94 | THR | 0 | -0.021 | -0.032 | 29.456 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 95 | ALA | 0 | 0.009 | -0.009 | 27.651 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 96 | GLN | 0 | 0.022 | 0.022 | 29.519 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 97 | ASN | 0 | -0.052 | -0.022 | 32.656 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 98 | ALA | 0 | -0.010 | 0.003 | 27.903 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 99 | ARG | 1 | 0.911 | 0.964 | 28.419 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 100 | ALA | 0 | -0.016 | -0.018 | 23.946 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 101 | LEU | 0 | 0.028 | 0.022 | 21.424 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 102 | LYS | 1 | 0.924 | 0.970 | 17.661 | -0.514 | -0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 103 | ILE | 0 | 0.068 | 0.041 | 15.692 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 104 | LYS | 1 | 0.931 | 0.953 | 10.473 | -1.316 | -1.316 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 105 | LEU | 0 | 0.016 | 0.032 | 7.465 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 106 | THR | 0 | -0.117 | -0.074 | 9.718 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 107 | ASN | 0 | 0.020 | -0.019 | 8.201 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 108 | LYS | 1 | 0.892 | 0.961 | 11.048 | -0.822 | -0.822 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 109 | HIS | 0 | 0.047 | 0.026 | 14.282 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 110 | PHE | 0 | 0.039 | 0.004 | 13.533 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 111 | PRO | 0 | -0.047 | -0.005 | 10.499 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 112 | CYS | 0 | 0.004 | 0.000 | 12.180 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 113 | LEU | 0 | 0.027 | 0.026 | 12.849 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 114 | THR | 0 | -0.072 | -0.067 | 14.746 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 115 | VAL | 0 | 0.009 | 0.003 | 16.724 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 116 | SER | 0 | -0.056 | -0.042 | 19.405 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 117 | VAL | 0 | 0.031 | 0.009 | 21.346 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 118 | GLU | -1 | -0.934 | -0.957 | 24.780 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 119 | LEU | 0 | -0.004 | -0.017 | 26.353 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 120 | LEU | 0 | 0.037 | 0.019 | 30.052 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 121 | SER | 0 | -0.065 | -0.036 | 32.685 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 122 | MET | 0 | 0.021 | 0.016 | 34.373 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 123 | SER | 0 | -0.013 | 0.001 | 35.430 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 124 | SER | 0 | 0.014 | -0.005 | 32.194 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 125 | SER | 0 | -0.016 | -0.007 | 30.370 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 126 | SER | 0 | -0.013 | 0.005 | 28.304 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 127 | ARG | 1 | 0.982 | 0.989 | 29.193 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 128 | ILE | 0 | 0.018 | 0.009 | 23.447 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 129 | VAL | 0 | -0.011 | 0.010 | 26.092 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 130 | THR | 0 | -0.031 | -0.021 | 20.190 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 131 | HIS | 0 | 0.014 | 0.022 | 21.538 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 132 | ASP | -1 | -0.837 | -0.900 | 17.872 | 0.757 | 0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 133 | ILE | 0 | 0.001 | -0.001 | 18.018 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 134 | PRO | 0 | 0.047 | 0.031 | 16.724 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 135 | ILE | 0 | -0.048 | 0.004 | 11.539 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 136 | LYS | 1 | 0.968 | 0.983 | 14.503 | -0.539 | -0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 137 | VAL | 0 | -0.007 | -0.005 | 9.021 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 138 | ILE | 0 | 0.020 | 0.006 | 12.203 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 139 | PRO | 0 | -0.031 | -0.016 | 12.146 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 140 | ARG | 1 | 0.983 | 0.965 | 9.689 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 141 | LYS | 1 | 0.899 | 0.951 | 13.739 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 142 | LEU | 0 | -0.005 | -0.027 | 16.578 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 143 | TRP | 0 | 0.001 | 0.013 | 10.735 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 144 | LYS | 1 | 0.937 | 0.971 | 17.765 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 145 | ASP | -1 | -0.928 | -0.942 | 21.038 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 146 | LEU | 0 | -0.065 | -0.049 | 18.324 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 147 | GLN | 0 | 0.019 | 0.014 | 19.510 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 148 | GLU | -1 | -0.917 | -0.967 | 22.963 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 149 | PRO | 0 | -0.048 | -0.031 | 25.914 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 150 | VAL | 0 | 0.010 | 0.019 | 29.194 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 151 | VAL | 0 | 0.005 | -0.012 | 31.311 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 152 | PRO | 0 | -0.074 | -0.015 | 34.335 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 153 | ASP | -1 | -0.873 | -0.954 | 37.452 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 154 | PRO | 0 | -0.083 | -0.030 | 39.529 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 155 | ASP | -1 | -0.826 | -0.913 | 42.030 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 156 | VAL | 0 | -0.006 | -0.001 | 45.081 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 157 | SER | 0 | -0.014 | -0.008 | 41.753 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 158 | ILE | 0 | 0.002 | -0.008 | 44.118 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 159 | TYR | 0 | -0.040 | -0.010 | 43.206 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 160 | LEU | 0 | -0.003 | -0.009 | 40.641 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 161 | PRO | 0 | 0.032 | 0.028 | 44.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 162 | VAL | 0 | -0.029 | -0.029 | 45.441 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 163 | LEU | 0 | 0.081 | 0.034 | 39.941 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 164 | LYS | 1 | 0.951 | 0.974 | 43.880 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 165 | THR | 0 | 0.037 | 0.016 | 45.480 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 166 | MET | 0 | 0.041 | 0.037 | 44.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 167 | LYS | 1 | 0.838 | 0.909 | 41.749 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 168 | SER | 0 | -0.010 | -0.012 | 45.159 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 169 | VAL | 0 | 0.016 | 0.010 | 48.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 170 | VAL | 0 | 0.039 | 0.011 | 44.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 171 | GLU | -1 | -0.902 | -0.937 | 44.939 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 172 | LYS | 1 | 0.926 | 0.961 | 47.188 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 173 | MET | 0 | 0.025 | 0.025 | 49.822 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 174 | LYS | 1 | 0.953 | 0.987 | 42.333 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 175 | ASN | 0 | -0.120 | -0.072 | 48.220 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 176 | ILE | 0 | -0.003 | 0.014 | 50.764 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 177 | SER | 0 | 0.057 | 0.032 | 50.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 178 | ASN | 0 | -0.012 | -0.033 | 45.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 179 | HIS | 0 | -0.020 | -0.003 | 45.701 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 180 | LEU | 0 | -0.015 | -0.017 | 45.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 181 | VAL | 0 | 0.039 | 0.042 | 47.088 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 182 | ILE | 0 | -0.049 | -0.020 | 44.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 183 | GLU | -1 | -0.871 | -0.956 | 47.797 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 184 | ALA | 0 | 0.019 | -0.003 | 47.912 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 185 | ASN | 0 | 0.015 | 0.021 | 49.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 186 | LEU | 0 | -0.004 | -0.018 | 48.582 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 187 | ASP | -1 | -0.897 | -0.932 | 51.621 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 188 | GLY | 0 | -0.048 | -0.007 | 51.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 189 | GLU | -1 | -0.903 | -0.963 | 52.431 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 190 | LEU | 0 | -0.010 | -0.015 | 46.421 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 191 | ASN | 0 | 0.018 | 0.012 | 50.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 192 | LEU | 0 | -0.051 | -0.022 | 46.876 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 193 | LYS | 1 | 0.941 | 0.976 | 50.619 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 194 | ILE | 0 | -0.033 | -0.010 | 50.419 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 195 | GLU | -1 | -0.872 | -0.963 | 52.921 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 196 | THR | 0 | -0.082 | -0.042 | 54.248 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 197 | GLU | -1 | -0.930 | -0.975 | 56.707 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 198 | LEU | 0 | -0.011 | -0.010 | 59.748 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 199 | VAL | 0 | -0.032 | -0.008 | 57.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 200 | CYS | 0 | 0.021 | 0.036 | 57.518 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 201 | VAL | 0 | -0.026 | -0.020 | 55.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 202 | THR | 0 | 0.033 | 0.008 | 55.011 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 203 | THR | 0 | -0.072 | -0.030 | 52.633 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 204 | HIS | 0 | 0.008 | -0.006 | 53.543 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 205 | PHE | 0 | -0.072 | -0.038 | 50.162 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 206 | LYS | 1 | 0.988 | 0.992 | 53.403 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 207 | ASP | -1 | -0.899 | -0.950 | 54.090 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 208 | LEU | 0 | -0.074 | -0.032 | 48.685 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 209 | GLY | 0 | 0.028 | 0.023 | 49.252 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 210 | ASN | 0 | -0.015 | -0.027 | 47.399 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 211 | PRO | 0 | -0.054 | -0.006 | 43.265 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 212 | PRO | 0 | 0.011 | -0.012 | 45.577 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 213 | LEU | 0 | -0.044 | -0.022 | 43.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 214 | NME | 0 | 0.056 | 0.045 | 44.676 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 223 | ACE | 0 | -0.007 | -0.015 | 55.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 224 | VAL | 0 | -0.077 | -0.053 | 55.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 225 | GLU | -1 | -0.770 | -0.890 | 54.766 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 226 | HIS | 0 | -0.061 | -0.015 | 52.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 227 | MET | 0 | -0.023 | -0.012 | 51.962 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 228 | ALA | 0 | -0.008 | 0.023 | 47.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 229 | GLU | -1 | -0.888 | -0.973 | 48.444 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 230 | VAL | 0 | -0.001 | -0.012 | 42.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 231 | HIS | 0 | 0.031 | 0.034 | 46.403 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 232 | ILE | 0 | 0.010 | -0.014 | 41.988 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 233 | ASP | -1 | -0.788 | -0.889 | 40.490 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 234 | ILE | 0 | 0.051 | 0.036 | 41.713 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 235 | ARG | 1 | 0.777 | 0.868 | 40.342 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 236 | LYS | 1 | 0.898 | 1.004 | 36.116 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 237 | LEU | 0 | 0.061 | 0.042 | 37.923 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 238 | LEU | 0 | -0.030 | -0.028 | 40.206 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 239 | GLN | 0 | -0.063 | -0.013 | 34.061 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 240 | PHE | 0 | 0.041 | 0.016 | 34.929 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 241 | LEU | 0 | 0.009 | -0.002 | 36.579 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 242 | ALA | 0 | -0.098 | -0.049 | 37.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 243 | GLY | 0 | -0.035 | -0.016 | 34.643 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 244 | GLN | 0 | -0.009 | -0.004 | 33.690 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 245 | GLN | 0 | -0.042 | -0.007 | 36.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 246 | VAL | 0 | -0.050 | -0.045 | 37.427 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 247 | ASN | 0 | 0.014 | -0.002 | 39.083 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 248 | PRO | 0 | 0.021 | 0.017 | 37.353 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 249 | THR | 0 | -0.004 | 0.002 | 38.176 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 250 | LYS | 1 | 0.946 | 1.000 | 36.115 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 251 | ALA | 0 | 0.000 | -0.015 | 38.086 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 252 | LEU | 0 | 0.004 | 0.005 | 38.967 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 253 | CYS | 0 | -0.064 | -0.009 | 39.382 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 254 | ASN | 0 | 0.022 | 0.010 | 37.737 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 255 | ILE | 0 | 0.016 | 0.000 | 40.632 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 256 | VAL | 0 | 0.031 | 0.037 | 39.993 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 257 | ASN | 0 | 0.081 | 0.039 | 43.063 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 258 | ASN | 0 | -0.107 | -0.075 | 45.694 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 259 | LYS | 1 | 0.861 | 0.919 | 41.011 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 260 | MET | 0 | -0.024 | -0.008 | 35.591 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 261 | VAL | 0 | 0.020 | 0.026 | 39.525 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 262 | HIS | 0 | -0.025 | -0.013 | 33.367 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 263 | PHE | 0 | -0.009 | -0.013 | 36.266 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 264 | ASP | -1 | -0.824 | -0.892 | 34.262 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 265 | LEU | 0 | -0.037 | -0.024 | 34.349 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 266 | LEU | 0 | 0.014 | 0.007 | 32.258 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 267 | HIS | 0 | -0.006 | -0.016 | 33.503 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 268 | GLU | -1 | -0.872 | -0.908 | 32.695 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 269 | ASP | -1 | -0.864 | -0.942 | 29.293 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 270 | VAL | 0 | -0.010 | 0.008 | 27.516 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 271 | SER | 0 | -0.045 | -0.015 | 28.176 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 272 | LEU | 0 | -0.020 | -0.039 | 28.817 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 273 | GLN | 0 | -0.011 | -0.020 | 29.832 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 274 | TYR | 0 | 0.003 | -0.003 | 30.705 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 275 | PHE | 0 | 0.032 | 0.003 | 30.196 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 276 | ILE | 0 | -0.030 | -0.024 | 34.462 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 277 | PRO | 0 | 0.005 | 0.012 | 35.849 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 278 | ALA | 0 | 0.009 | 0.002 | 38.570 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 279 | LEU | 0 | -0.076 | -0.042 | 41.260 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 280 | SER | -1 | -0.953 | -0.955 | 42.322 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |