FMODB ID: N3M1Q
Calculation Name: 2O2K-A-Xray308
Preferred Name: Methionine synthase
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 2O2K
Chain ID: A
ChEMBL ID: CHEMBL2150844
UniProt ID: Q99707
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 | 340 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -5277363.886122 |
---|---|
FMO2-HF: Nuclear repulsion | 5143199.912989 |
FMO2-HF: Total energy | -134163.973133 |
FMO2-MP2: Total energy | -134559.642431 |
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(A:925:ACE )
Summations of interaction energy for
fragment #1(A:925:ACE )
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. |
1.674 | 2.92 | -0.003 | -0.642 | -0.601 | -0.001 |
Interaction energy analysis for fragmet #1(A:925:ACE )
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 927 | ARG | 1 | 0.919 | 0.970 | 3.699 | 0.724 | 1.970 | -0.003 | -0.642 | -0.601 | -0.001 |
4 | A | 928 | ARG | 1 | 0.861 | 0.920 | 5.820 | 0.539 | 0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 929 | TYR | 0 | 0.013 | 0.001 | 6.879 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 930 | LEU | 0 | 0.029 | 0.032 | 11.364 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 931 | PRO | 0 | 0.034 | 0.016 | 14.986 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 932 | LEU | 0 | 0.039 | 0.014 | 16.563 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 933 | SER | 0 | -0.022 | -0.020 | 19.041 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 934 | GLN | 0 | -0.001 | -0.011 | 19.043 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 935 | ALA | 0 | 0.025 | 0.016 | 18.242 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 936 | ARG | 1 | 0.779 | 0.861 | 20.259 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 937 | LYS | 1 | 0.913 | 0.983 | 23.703 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 938 | SER | 0 | -0.066 | -0.041 | 22.057 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 939 | GLY | 0 | 0.083 | 0.053 | 23.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 940 | PHE | 0 | -0.039 | -0.036 | 25.137 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 941 | GLN | 0 | -0.023 | -0.014 | 27.475 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 942 | MET | 0 | -0.049 | -0.008 | 30.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 943 | ASP | -1 | -0.890 | -0.937 | 34.000 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 944 | TRP | 0 | 0.054 | 0.002 | 33.866 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 945 | LEU | 0 | -0.023 | -0.001 | 38.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 946 | SER | 0 | -0.033 | -0.013 | 40.502 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 947 | GLU | -1 | -0.934 | -0.962 | 38.364 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 948 | PRO | 0 | -0.045 | -0.009 | 41.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 949 | HIS | 0 | 0.012 | -0.012 | 42.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 950 | PRO | 0 | -0.005 | 0.009 | 40.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 951 | VAL | 0 | 0.008 | 0.011 | 43.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 952 | LYS | 1 | 0.918 | 0.972 | 44.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 953 | PRO | 0 | -0.022 | -0.003 | 44.386 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 954 | THR | 0 | -0.046 | -0.037 | 47.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 955 | PHE | 0 | -0.024 | -0.013 | 47.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 956 | ILE | 0 | -0.015 | -0.013 | 45.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 957 | GLY | 0 | -0.009 | 0.009 | 46.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 958 | THR | 0 | -0.006 | -0.022 | 44.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 959 | GLN | 0 | -0.028 | -0.003 | 46.970 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 960 | VAL | 0 | 0.027 | 0.008 | 47.416 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 961 | PHE | 0 | -0.042 | -0.018 | 46.548 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 962 | GLU | -1 | -0.810 | -0.895 | 49.099 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 963 | GLU | -1 | -0.916 | -0.966 | 51.515 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 964 | TYR | 0 | -0.082 | -0.088 | 48.001 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 965 | ASP | -1 | -0.891 | -0.945 | 51.078 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 966 | LEU | 0 | 0.030 | -0.006 | 48.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 967 | GLN | 0 | -0.017 | -0.008 | 50.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 968 | LYS | 1 | 0.973 | 1.001 | 50.238 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 969 | LEU | 0 | -0.024 | -0.009 | 45.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 970 | VAL | 0 | 0.018 | 0.012 | 46.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 971 | ASP | -1 | -0.940 | -0.964 | 47.749 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 972 | TYR | 0 | -0.110 | -0.092 | 44.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 973 | ILE | 0 | -0.060 | -0.007 | 42.820 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 974 | ASP | -1 | -0.909 | -0.953 | 37.366 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 975 | TRP | 0 | 0.070 | -0.003 | 40.302 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 976 | LYS | 1 | 0.918 | 0.971 | 34.991 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 977 | PRO | 0 | 0.053 | 0.027 | 35.386 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 978 | PHE | 0 | 0.019 | 0.013 | 36.986 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 979 | PHE | 0 | -0.024 | -0.033 | 40.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 980 | ASP | -1 | -0.913 | -0.948 | 34.587 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 981 | VAL | 0 | -0.019 | -0.003 | 37.020 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 982 | TRP | 0 | -0.005 | -0.019 | 38.178 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 983 | GLN | 0 | -0.034 | -0.006 | 37.810 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 984 | LEU | 0 | -0.050 | -0.014 | 33.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 985 | ARG | 1 | 0.899 | 0.938 | 37.182 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 986 | GLY | 0 | 0.032 | 0.017 | 40.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 987 | LYS | 1 | 0.927 | 0.978 | 35.882 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 988 | TYR | 0 | -0.081 | -0.048 | 36.635 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 989 | PRO | 0 | 0.012 | 0.029 | 41.794 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 990 | ASN | 0 | 0.047 | 0.022 | 43.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 991 | ARG | 1 | 0.954 | 0.953 | 46.363 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 992 | GLY | 0 | 0.029 | 0.011 | 49.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 993 | PHE | 0 | 0.028 | 0.029 | 44.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 994 | PRO | 0 | 0.007 | 0.011 | 49.810 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 995 | LYS | 1 | 0.935 | 0.970 | 51.646 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 996 | ILE | 0 | -0.026 | -0.012 | 50.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 997 | PHE | 0 | 0.042 | 0.023 | 44.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 998 | ASN | 0 | -0.118 | -0.054 | 48.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 999 | ASP | -1 | -0.851 | -0.916 | 50.491 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 1000 | LYS | 1 | 0.917 | 0.947 | 46.423 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 1001 | THR | 0 | -0.049 | -0.045 | 44.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 1002 | VAL | 0 | 0.116 | 0.067 | 42.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 1003 | GLY | 0 | -0.027 | 0.007 | 46.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 1004 | GLY | 0 | -0.007 | -0.018 | 48.342 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 1005 | GLU | -1 | -0.851 | -0.941 | 44.986 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 1006 | ALA | 0 | 0.022 | 0.017 | 44.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 1007 | ARG | 1 | 0.890 | 0.940 | 46.521 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 1008 | LYS | 1 | 0.869 | 0.941 | 50.059 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 1009 | VAL | 0 | 0.034 | 0.011 | 44.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 1010 | TYR | 0 | -0.017 | -0.002 | 46.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 1011 | ASP | -1 | -0.807 | -0.919 | 48.787 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 1012 | ASP | -1 | -0.798 | -0.875 | 50.550 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 1013 | ALA | 0 | 0.024 | 0.004 | 47.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 1014 | HIS | 0 | -0.022 | -0.008 | 49.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 1015 | ASN | 0 | -0.026 | -0.009 | 52.327 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 1016 | MET | 0 | -0.020 | 0.007 | 49.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 1017 | LEU | 0 | 0.022 | 0.006 | 48.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 1018 | ASN | 0 | 0.021 | 0.012 | 51.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 1019 | THR | 0 | -0.028 | -0.008 | 55.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 1020 | LEU | 0 | -0.014 | -0.016 | 50.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 1021 | ILE | 0 | 0.010 | 0.012 | 50.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 1022 | SER | 0 | -0.058 | -0.027 | 54.528 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 1023 | GLN | 0 | -0.027 | -0.021 | 57.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 1024 | LYS | 1 | 0.916 | 0.966 | 55.269 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 1025 | LYS | 1 | 0.917 | 0.953 | 53.438 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 1026 | LEU | 0 | 0.005 | 0.015 | 47.583 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 1027 | ARG | 1 | 0.907 | 0.965 | 49.258 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 1028 | ALA | 0 | 0.010 | 0.017 | 46.553 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 1029 | ARG | 1 | 0.818 | 0.913 | 46.164 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 1030 | GLY | 0 | 0.031 | -0.001 | 44.189 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 1031 | VAL | 0 | -0.035 | 0.000 | 42.385 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 1032 | VAL | 0 | 0.004 | 0.009 | 42.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 1033 | GLY | 0 | 0.026 | 0.006 | 42.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 1034 | PHE | 0 | -0.006 | 0.008 | 42.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 1035 | TRP | 0 | 0.065 | 0.018 | 40.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 1036 | PRO | 0 | -0.003 | 0.003 | 41.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 1037 | ALA | 0 | -0.001 | -0.005 | 37.308 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 1038 | GLN | 0 | -0.012 | -0.016 | 37.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 1039 | SER | 0 | 0.003 | 0.015 | 32.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 1040 | ILE | 0 | -0.004 | -0.013 | 31.889 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 1041 | GLN | 0 | -0.021 | -0.019 | 26.297 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 1042 | ASP | -1 | -0.731 | -0.844 | 23.764 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 1043 | ASP | -1 | -0.783 | -0.867 | 27.111 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 1044 | ILE | 0 | 0.023 | 0.003 | 29.860 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 1045 | HIS | 1 | 0.864 | 0.940 | 33.078 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 1046 | LEU | 0 | 0.060 | 0.026 | 36.175 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 1047 | TYR | 0 | 0.029 | 0.004 | 39.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 1048 | ALA | 0 | 0.054 | 0.017 | 42.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 1049 | GLU | -1 | -0.896 | -0.956 | 46.267 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 1050 | ALA | 0 | -0.030 | -0.018 | 48.491 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 1051 | ALA | 0 | -0.033 | -0.001 | 46.436 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 1052 | VAL | 0 | 0.003 | -0.003 | 47.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 1053 | PRO | 0 | 0.015 | 0.003 | 42.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 1054 | GLN | 0 | 0.001 | -0.005 | 42.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 1055 | ALA | 0 | -0.055 | -0.019 | 43.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 1056 | ALA | 0 | -0.046 | -0.011 | 44.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 1057 | GLU | -1 | -0.886 | -0.943 | 40.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 1058 | PRO | 0 | -0.075 | -0.034 | 37.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 1059 | ILE | 0 | -0.007 | 0.002 | 40.471 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 1060 | ALA | 0 | -0.013 | -0.023 | 37.122 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 1061 | THR | 0 | -0.021 | -0.001 | 31.799 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 1062 | PHE | 0 | 0.001 | 0.012 | 31.400 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 1063 | TYR | 0 | -0.002 | 0.000 | 26.899 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 1064 | GLY | 0 | 0.027 | 0.022 | 25.996 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 1065 | LEU | 0 | -0.032 | -0.022 | 19.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 1066 | ARG | 1 | 0.715 | 0.818 | 20.618 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 1067 | GLN | 0 | 0.005 | 0.015 | 17.689 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 1068 | GLN | 0 | 0.039 | -0.006 | 14.153 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 1069 | ALA | 0 | -0.055 | -0.017 | 11.744 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 1070 | GLU | -1 | -0.819 | -0.896 | 11.970 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 1071 | ASN | 0 | -0.033 | -0.031 | 12.583 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 1072 | ASP | -1 | -0.936 | -0.940 | 14.711 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 1073 | SER | 0 | 0.005 | -0.061 | 17.804 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 1074 | ALA | 0 | 0.012 | -0.026 | 21.968 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 1075 | SER | 0 | -0.128 | -0.079 | 26.218 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 1076 | THR | 0 | -0.019 | 0.077 | 20.865 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 1077 | GLU | -1 | -0.893 | -0.933 | 20.052 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 1078 | PRO | 0 | -0.050 | -0.021 | 22.210 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 1079 | TYR | 0 | -0.012 | -0.001 | 16.485 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 1080 | TYR | 0 | -0.006 | -0.012 | 21.527 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 1081 | CYS | 0 | -0.003 | 0.014 | 22.347 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 1082 | LEU | 0 | 0.015 | 0.010 | 24.823 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 1083 | SER | 0 | 0.004 | -0.007 | 27.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 1084 | ASP | -1 | -0.755 | -0.860 | 26.549 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 1085 | PHE | 0 | -0.064 | -0.050 | 28.208 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 1086 | ILE | 0 | -0.029 | -0.002 | 32.551 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 1087 | ALA | 0 | 0.011 | 0.001 | 34.493 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 1088 | PRO | 0 | 0.020 | 0.017 | 34.319 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 1089 | LEU | 0 | -0.013 | -0.004 | 36.352 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 1090 | HIS | 0 | -0.066 | -0.055 | 37.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 1091 | SER | 0 | -0.014 | -0.013 | 38.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 1092 | GLY | 0 | -0.006 | 0.005 | 40.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 1093 | ILE | 0 | -0.023 | 0.002 | 40.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 1094 | ARG | 1 | 0.899 | 0.950 | 41.898 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 1095 | ASP | -1 | -0.731 | -0.865 | 38.240 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 1096 | TYR | 0 | -0.038 | -0.033 | 40.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 1097 | LEU | 0 | 0.003 | 0.015 | 34.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 1098 | GLY | 0 | 0.033 | 0.002 | 38.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 1099 | LEU | 0 | -0.053 | -0.012 | 37.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 1100 | PHE | 0 | 0.015 | 0.002 | 36.227 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 1101 | ALA | 0 | 0.020 | 0.006 | 37.971 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 1102 | VAL | 0 | -0.025 | 0.000 | 39.651 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 1103 | ALA | 0 | 0.033 | 0.013 | 40.258 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 1104 | CYS | 0 | -0.016 | 0.001 | 42.394 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 1105 | PHE | 0 | 0.003 | -0.020 | 43.982 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 1106 | GLY | 0 | 0.047 | 0.014 | 46.521 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 1107 | VAL | 0 | 0.008 | 0.006 | 42.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 1108 | GLU | -1 | -0.943 | -0.982 | 40.992 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 1109 | GLU | -1 | -0.877 | -0.944 | 44.753 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 1110 | LEU | 0 | -0.034 | -0.024 | 48.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 1111 | SER | 0 | -0.069 | -0.046 | 44.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 1112 | LYS | 1 | 0.901 | 0.947 | 46.786 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 1113 | ALA | 0 | 0.021 | 0.005 | 47.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 1114 | TYR | 0 | 0.002 | -0.014 | 48.919 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 1115 | GLU | -1 | -0.861 | -0.905 | 44.436 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 1116 | ASP | -1 | -0.917 | -0.936 | 49.130 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 1117 | ASP | -1 | -0.945 | -0.968 | 51.939 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 1118 | GLY | 0 | -0.109 | -0.046 | 51.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 1119 | ASP | -1 | -0.858 | -0.909 | 51.219 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 1120 | ASP | -1 | -0.861 | -0.957 | 45.799 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 1121 | TYR | 0 | -0.107 | -0.075 | 46.274 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 1122 | SER | 0 | -0.013 | -0.046 | 47.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 1123 | SER | 0 | -0.033 | -0.005 | 44.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 1124 | ILE | 0 | -0.034 | -0.024 | 41.519 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 1125 | MET | 0 | -0.042 | 0.003 | 43.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 1126 | VAL | 0 | 0.039 | 0.001 | 45.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 1127 | LYS | 1 | 0.940 | 0.986 | 39.283 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 1128 | ALA | 0 | -0.015 | -0.010 | 40.500 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 1129 | LEU | 0 | -0.010 | -0.018 | 41.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 1130 | GLY | 0 | 0.024 | 0.011 | 43.141 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 1131 | ASP | -1 | -0.867 | -0.919 | 36.985 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 1132 | ARG | 1 | 0.798 | 0.887 | 36.505 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 1133 | LEU | 0 | 0.025 | 0.007 | 41.484 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 1134 | ALA | 0 | 0.007 | 0.011 | 39.719 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 1135 | GLU | -1 | -0.913 | -0.967 | 35.164 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 1136 | ALA | 0 | -0.019 | 0.002 | 39.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 1137 | PHE | 0 | -0.014 | -0.013 | 42.617 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 1138 | ALA | 0 | -0.003 | -0.002 | 38.185 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 1139 | GLU | -1 | -0.863 | -0.924 | 38.643 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 1140 | GLU | -1 | -0.788 | -0.864 | 40.995 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 1141 | LEU | 0 | 0.030 | 0.016 | 42.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 1142 | HIS | 0 | -0.018 | -0.002 | 37.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 1143 | GLU | -1 | -0.847 | -0.914 | 41.629 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 1144 | ARG | 1 | 0.922 | 0.963 | 44.294 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 1145 | VAL | 0 | -0.022 | -0.008 | 41.837 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 1146 | ARG | 1 | 0.851 | 0.903 | 40.294 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 1147 | ARG | 1 | 0.859 | 0.947 | 44.217 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 1148 | GLU | -1 | -0.925 | -0.977 | 47.921 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 1149 | LEU | 0 | -0.036 | -0.008 | 46.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 1150 | TRP | 0 | -0.043 | -0.032 | 39.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 1151 | ALA | 0 | -0.005 | 0.004 | 46.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 1152 | TYR | 0 | -0.037 | -0.046 | 39.662 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 1153 | CYS | 0 | -0.055 | -0.035 | 43.067 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 1154 | GLY | 0 | 0.072 | 0.043 | 46.404 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 1155 | SER | 0 | -0.080 | -0.039 | 49.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 1156 | GLU | -1 | -0.833 | -0.890 | 43.674 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 1157 | GLN | 0 | -0.009 | -0.012 | 47.860 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 1158 | LEU | 0 | -0.018 | -0.005 | 42.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 1159 | ASP | -1 | -0.787 | -0.886 | 45.154 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 1160 | VAL | 0 | 0.089 | 0.024 | 43.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 1161 | ALA | 0 | -0.087 | -0.046 | 42.066 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 1162 | ASP | -1 | -0.771 | -0.857 | 40.656 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 1163 | LEU | 0 | -0.049 | -0.008 | 39.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 1164 | ARG | 1 | 0.991 | 1.002 | 37.645 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 1165 | ARG | 1 | 0.783 | 0.884 | 35.914 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 1166 | LEU | 0 | -0.017 | 0.004 | 31.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 1167 | ARG | 1 | 0.805 | 0.885 | 36.380 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 1168 | TYR | 0 | -0.011 | 0.006 | 36.264 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 1169 | LYS | 1 | 0.928 | 0.964 | 37.737 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 1170 | GLY | 0 | 0.072 | 0.066 | 36.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 1171 | ILE | 0 | -0.081 | -0.034 | 30.390 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 1172 | ARG | 1 | 0.862 | 0.888 | 33.538 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 1173 | PRO | 0 | -0.026 | 0.010 | 28.967 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 1174 | ALA | 0 | 0.087 | 0.037 | 29.946 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 1175 | PRO | 0 | 0.005 | -0.002 | 27.671 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 1176 | GLY | 0 | -0.022 | -0.009 | 24.773 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 1177 | TYR | 0 | -0.026 | -0.010 | 23.993 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 1178 | PRO | 0 | 0.012 | -0.017 | 20.955 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 1179 | SER | 0 | 0.011 | 0.017 | 21.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 1180 | GLN | 0 | -0.031 | -0.033 | 23.264 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 1181 | PRO | 0 | 0.008 | 0.010 | 19.400 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 1182 | ASP | -1 | -0.702 | -0.808 | 22.418 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 1183 | HIS | 0 | 0.110 | 0.052 | 24.213 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 1184 | THR | 0 | -0.040 | -0.041 | 26.748 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 1185 | GLU | -1 | -0.793 | -0.888 | 27.622 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 1186 | LYS | 1 | 0.835 | 0.887 | 29.263 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 1187 | LEU | 0 | 0.024 | 0.019 | 31.531 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 1188 | THR | 0 | -0.032 | -0.009 | 32.807 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 1189 | MET | 0 | -0.041 | -0.008 | 33.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 1190 | TRP | 0 | -0.011 | -0.040 | 35.368 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 1191 | ARG | 1 | 0.908 | 0.966 | 37.742 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 1192 | LEU | 0 | -0.076 | -0.031 | 38.811 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 1193 | ALA | 0 | -0.028 | -0.022 | 40.663 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 1194 | ASP | -1 | -0.899 | -0.937 | 42.561 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 1195 | ILE | 0 | -0.009 | -0.005 | 38.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 1196 | GLU | -1 | -0.942 | -0.963 | 41.955 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 1197 | GLN | 0 | -0.003 | -0.011 | 43.556 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 1198 | SER | 0 | -0.020 | 0.010 | 45.964 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 1199 | THR | 0 | -0.041 | -0.035 | 43.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 1200 | GLY | 0 | -0.003 | -0.003 | 45.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 1201 | ILE | 0 | -0.058 | -0.025 | 39.426 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 1202 | ARG | 1 | 0.993 | 1.004 | 39.578 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 1203 | LEU | 0 | -0.015 | 0.000 | 33.939 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 1204 | THR | 0 | -0.064 | -0.036 | 33.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 1205 | GLU | -1 | -0.863 | -0.941 | 32.567 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 1206 | SER | 0 | -0.078 | -0.032 | 29.245 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 1207 | LEU | 0 | 0.011 | 0.005 | 28.761 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 1208 | ALA | 0 | 0.000 | 0.017 | 31.615 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 1209 | MET | 0 | 0.010 | 0.011 | 32.644 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 1210 | ALA | 0 | -0.023 | 0.005 | 35.922 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 1211 | PRO | 0 | 0.060 | 0.017 | 39.119 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 1212 | ALA | 0 | 0.000 | -0.003 | 36.652 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 1213 | SER | 0 | -0.057 | -0.007 | 36.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 1214 | ALA | 0 | 0.028 | 0.000 | 37.528 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 1215 | VAL | 0 | 0.014 | 0.011 | 34.893 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 1216 | SER | 0 | -0.016 | -0.016 | 34.340 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 1217 | GLY | 0 | 0.027 | 0.004 | 33.369 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 1218 | LEU | 0 | -0.012 | -0.002 | 31.260 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 1219 | TYR | 0 | -0.029 | -0.011 | 34.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 1220 | PHE | 0 | 0.025 | -0.007 | 31.358 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 1221 | SER | 0 | 0.040 | 0.019 | 35.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 1222 | ASN | 0 | 0.069 | 0.040 | 35.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 1223 | LEU | 0 | 0.022 | 0.005 | 36.200 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 1224 | LYS | 1 | 0.877 | 0.947 | 33.429 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 1225 | SER | 0 | -0.075 | -0.033 | 31.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 1226 | LYS | 1 | 0.925 | 0.958 | 27.526 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 1227 | TYR | 0 | 0.059 | 0.028 | 27.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 1228 | PHE | 0 | -0.036 | -0.017 | 21.845 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 1229 | ALA | 0 | 0.012 | 0.003 | 19.158 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 1230 | VAL | 0 | 0.024 | 0.010 | 17.476 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 1231 | GLY | 0 | -0.019 | -0.008 | 15.447 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 1232 | LYS | 1 | 0.937 | 0.960 | 8.459 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 1233 | ILE | 0 | 0.017 | 0.019 | 12.742 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 1234 | SER | 0 | -0.005 | -0.007 | 11.704 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 1235 | LYS | 1 | 0.932 | 0.944 | 12.538 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 1236 | ASP | -1 | -0.762 | -0.880 | 14.447 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 1237 | GLN | 0 | 0.008 | -0.002 | 16.514 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 1238 | VAL | 0 | 0.000 | 0.007 | 15.830 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 1239 | GLU | -1 | -0.880 | -0.940 | 18.306 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 1240 | ASP | -1 | -0.837 | -0.903 | 20.456 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 1241 | TYR | 0 | -0.038 | -0.054 | 21.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 1242 | ALA | 0 | -0.009 | -0.004 | 22.537 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 1243 | LEU | 0 | -0.016 | -0.007 | 24.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 1244 | ARG | 1 | 0.728 | 0.851 | 23.219 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 1245 | LYS | 1 | 0.818 | 0.905 | 26.253 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 1246 | ASN | 0 | -0.057 | -0.010 | 28.694 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 1247 | ILE | 0 | -0.001 | 0.010 | 25.308 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 1248 | SER | 0 | 0.023 | 0.005 | 25.080 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 1249 | VAL | 0 | 0.072 | 0.017 | 18.839 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 1250 | ALA | 0 | 0.027 | 0.017 | 20.399 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 1251 | GLU | -1 | -0.887 | -0.935 | 21.581 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 1252 | VAL | 0 | -0.015 | -0.012 | 19.418 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 1253 | GLU | -1 | -0.868 | -0.922 | 16.129 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 1254 | LYS | 1 | 0.918 | 0.976 | 18.324 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 1255 | TRP | 0 | -0.059 | -0.046 | 20.783 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 1256 | LEU | 0 | -0.021 | -0.008 | 17.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 1257 | GLY | 0 | 0.056 | 0.044 | 16.124 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 1258 | PRO | 0 | -0.034 | -0.030 | 14.474 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 1259 | ILE | 0 | -0.066 | -0.029 | 13.896 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 1260 | LEU | 0 | 0.024 | 0.026 | 12.276 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 1261 | GLY | 0 | -0.061 | -0.037 | 8.901 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 1262 | TYR | 0 | -0.147 | -0.103 | 7.324 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 1263 | ASP | -1 | -0.907 | -0.944 | 7.013 | 1.146 | 1.146 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 1264 | NME | 0 | -0.016 | -0.008 | 9.350 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |