![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 7M2GK
Calculation Name: 4JHP-C-Xray372
Preferred Name: Phosphodiesterase 6D
Target Type: SINGLE PROTEIN
Ligand Name:
ligand 3-letter code:
PDB ID: 4JHP
Chain ID: C
ChEMBL ID: CHEMBL3860
UniProt ID: O43924
Base Structure: X-ray
Registration Date: 2023-09-26
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 | 362 |
LigandCharge | CYM=-1 |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5826950.134306 |
---|---|
FMO2-HF: Nuclear repulsion | 5688745.152554 |
FMO2-HF: Total energy | -138204.981752 |
FMO2-MP2: Total energy | -138605.098415 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F039921/ligand_interaction/ligand_F039921.png)
Ligand Interaction
![ligand interaction](./Kdata/F039921/ligand_interaction/ligand_interaction_F039921.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(C:7:LEU)
Summations of interaction energy for
fragment #1(C:7:LEU)
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. |
-3.17 | -0.203 | 0.042 | -1.381 | -1.627 | 0.002 |
Interaction energy analysis for fragmet #1(C:7:LEU)
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 | C | 9 | PRO | 0 | -0.029 | -0.014 | 3.413 | -3.108 | -0.642 | 0.025 | -1.253 | -1.237 | 0.002 |
4 | C | 10 | ASP | -1 | -0.829 | -0.900 | 6.169 | -0.996 | -0.996 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | C | 11 | SER | 0 | -0.018 | -0.028 | 8.067 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | C | 12 | GLY | 0 | -0.005 | -0.010 | 8.608 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | C | 13 | ALA | 0 | -0.097 | -0.052 | 7.270 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | C | 14 | VAL | 0 | 0.017 | 0.015 | 9.348 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | C | 15 | PHE | 0 | -0.012 | -0.016 | 8.612 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | C | 16 | THR | 0 | -0.047 | -0.031 | 12.923 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | C | 17 | PHE | 0 | 0.033 | 0.029 | 14.328 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | C | 18 | GLY | 0 | 0.086 | 0.046 | 18.542 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | C | 19 | LYS | 1 | 0.902 | 0.945 | 20.815 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | C | 20 | SER | 0 | 0.007 | -0.001 | 17.891 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | C | 21 | LYS | 1 | 0.773 | 0.869 | 21.006 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | C | 22 | PHE | 0 | -0.018 | -0.007 | 15.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | C | 23 | ALA | 0 | 0.036 | 0.023 | 18.978 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | C | 24 | GLU | -1 | -0.932 | -0.953 | 17.797 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | C | 25 | ASN | 0 | -0.009 | -0.012 | 14.582 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | C | 26 | ASN | 0 | -0.089 | -0.050 | 12.701 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | C | 27 | PRO | 0 | 0.014 | -0.009 | 9.475 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | C | 28 | GLY | 0 | 0.033 | 0.042 | 12.429 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | C | 29 | LYS | 1 | 0.817 | 0.899 | 5.039 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | C | 30 | PHE | 0 | -0.030 | -0.006 | 9.133 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | C | 31 | TRP | 0 | 0.052 | 0.017 | 3.456 | -0.510 | -0.009 | 0.017 | -0.128 | -0.390 | 0.000 |
26 | C | 32 | PHE | 0 | 0.018 | 0.010 | 9.831 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | C | 33 | LYS | 1 | 0.939 | 0.961 | 7.584 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | C | 34 | ASN | 0 | -0.004 | -0.009 | 9.931 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | C | 35 | ASP | -1 | -0.700 | -0.820 | 11.735 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | C | 36 | VAL | 0 | 0.030 | 0.026 | 12.204 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | C | 37 | PRO | 0 | 0.002 | -0.005 | 13.616 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | C | 38 | VAL | 0 | -0.045 | -0.016 | 16.842 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | C | 39 | HIS | 0 | 0.039 | 0.017 | 20.323 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | C | 40 | LEU | 0 | -0.032 | -0.014 | 17.508 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | C | 41 | SER | 0 | 0.036 | 0.002 | 21.667 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | C | 42 | CYS | 0 | -0.027 | 0.011 | 22.616 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | C | 43 | GLY | 0 | 0.101 | 0.076 | 25.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | C | 44 | ASP | -1 | -0.753 | -0.844 | 27.839 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | C | 45 | GLU | -1 | -0.797 | -0.884 | 28.321 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | C | 46 | HIS | 0 | -0.024 | 0.002 | 25.276 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | C | 47 | SER | 0 | 0.023 | -0.015 | 21.372 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | C | 48 | ALA | 0 | 0.005 | 0.002 | 22.636 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | C | 49 | VAL | 0 | -0.022 | -0.014 | 17.070 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | C | 50 | VAL | 0 | 0.037 | 0.033 | 20.465 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | C | 51 | THR | 0 | -0.009 | -0.040 | 16.349 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | C | 52 | GLY | 0 | 0.052 | 0.030 | 17.933 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | C | 53 | ASN | 0 | -0.129 | -0.084 | 16.326 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | C | 54 | ASN | 0 | -0.025 | 0.000 | 19.932 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | C | 55 | LYS | 1 | 0.838 | 0.933 | 16.577 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | C | 56 | LEU | 0 | 0.055 | 0.026 | 21.852 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | C | 57 | TYR | 0 | -0.078 | -0.040 | 16.210 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | C | 58 | MET | 0 | 0.014 | 0.018 | 20.553 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | C | 59 | PHE | 0 | -0.031 | -0.031 | 18.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | C | 60 | GLY | 0 | 0.084 | 0.049 | 22.060 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | C | 61 | SER | 0 | -0.078 | -0.074 | 23.995 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | C | 62 | ASN | 0 | -0.010 | -0.035 | 27.740 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | C | 63 | ASN | 0 | 0.008 | 0.015 | 29.932 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | C | 64 | TRP | 0 | -0.004 | -0.011 | 33.089 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | C | 65 | GLY | 0 | 0.063 | 0.040 | 32.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | C | 66 | GLN | 0 | 0.016 | -0.002 | 29.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | C | 67 | LEU | 0 | -0.025 | -0.005 | 24.939 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | C | 68 | GLY | 0 | 0.023 | 0.016 | 27.433 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | C | 69 | LEU | 0 | -0.077 | -0.049 | 24.242 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | C | 70 | GLY | 0 | 0.023 | 0.014 | 28.247 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | C | 71 | SER | 0 | -0.079 | -0.039 | 29.731 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | C | 72 | LYS | 1 | 0.897 | 0.926 | 31.706 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | C | 73 | SER | 0 | -0.021 | 0.001 | 29.309 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | C | 74 | ALA | 0 | 0.030 | 0.013 | 27.128 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | C | 75 | ILE | 0 | -0.029 | -0.010 | 22.187 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | C | 76 | SER | 0 | 0.017 | 0.019 | 21.271 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | C | 77 | LYS | 1 | 0.930 | 0.956 | 16.752 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | C | 78 | PRO | 0 | 0.029 | 0.021 | 14.542 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | C | 79 | THR | 0 | -0.049 | -0.024 | 17.597 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | C | 80 | CYM | -1 | -0.772 | -0.827 | 19.128 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | C | 81 | VAL | 0 | 0.076 | 0.038 | 20.784 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | C | 82 | LYS | 1 | 0.907 | 0.925 | 21.534 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | C | 83 | ALA | 0 | 0.023 | 0.013 | 25.585 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | C | 84 | LEU | 0 | 0.035 | 0.021 | 26.597 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | C | 85 | LYS | 1 | 0.762 | 0.848 | 20.945 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | C | 86 | PRO | 0 | -0.042 | -0.020 | 26.256 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | C | 87 | GLU | -1 | -0.769 | -0.851 | 28.414 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | C | 88 | LYS | 1 | 0.888 | 0.948 | 25.839 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | C | 89 | VAL | 0 | 0.015 | 0.013 | 25.217 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | C | 90 | LYS | 1 | 0.800 | 0.892 | 25.517 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | C | 91 | LEU | 0 | 0.003 | 0.015 | 25.985 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | C | 92 | ALA | 0 | 0.010 | -0.015 | 26.031 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | C | 93 | ALA | 0 | 0.017 | 0.025 | 27.719 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | C | 94 | CYS | 0 | -0.071 | -0.019 | 27.342 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | C | 95 | GLY | 0 | 0.122 | 0.072 | 29.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | C | 96 | ARG | 1 | 0.789 | 0.869 | 31.448 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | C | 97 | ASN | 0 | -0.042 | -0.021 | 33.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | C | 98 | HIS | 0 | -0.003 | 0.003 | 33.258 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | C | 99 | THR | 0 | -0.010 | -0.024 | 27.983 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | C | 100 | LEU | 0 | -0.007 | 0.018 | 31.085 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | C | 101 | VAL | 0 | 0.002 | -0.013 | 28.100 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | C | 102 | SER | 0 | 0.033 | 0.030 | 30.039 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | C | 103 | THR | 0 | -0.008 | -0.029 | 29.729 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | C | 104 | GLU | -1 | -0.854 | -0.938 | 28.538 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | C | 105 | GLY | 0 | -0.029 | -0.007 | 31.559 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | C | 106 | GLY | 0 | 0.009 | -0.003 | 34.402 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | C | 107 | ASN | 0 | -0.054 | -0.013 | 34.609 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | C | 108 | VAL | 0 | 0.022 | 0.008 | 34.246 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | C | 109 | TYR | 0 | -0.093 | -0.061 | 32.388 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | C | 110 | ALA | 0 | 0.020 | 0.011 | 33.611 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | C | 111 | THR | 0 | -0.036 | -0.009 | 30.565 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | C | 112 | GLY | 0 | 0.017 | -0.002 | 33.490 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | C | 113 | GLY | 0 | 0.046 | 0.015 | 34.803 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | C | 114 | ASN | 0 | -0.039 | -0.026 | 37.927 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | C | 115 | ASN | 0 | 0.009 | 0.023 | 40.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | C | 116 | GLU | -1 | -0.843 | -0.925 | 43.015 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | C | 117 | GLY | 0 | 0.023 | 0.007 | 43.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | C | 118 | GLN | 0 | 0.027 | 0.004 | 37.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | C | 119 | LEU | 0 | -0.042 | -0.009 | 36.258 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | C | 120 | GLY | 0 | -0.041 | -0.016 | 39.065 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | C | 121 | LEU | 0 | 0.001 | -0.022 | 38.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | C | 122 | GLY | 0 | 0.001 | 0.005 | 42.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | C | 123 | ASP | -1 | -0.798 | -0.863 | 43.997 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | C | 124 | THR | 0 | 0.036 | -0.002 | 44.402 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | C | 125 | GLU | -1 | -0.957 | -0.960 | 43.454 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | C | 126 | GLU | -1 | -0.861 | -0.917 | 37.746 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | C | 127 | ARG | 1 | 0.767 | 0.844 | 36.668 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | C | 128 | ASN | 0 | 0.017 | 0.006 | 33.465 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | C | 129 | THR | 0 | -0.052 | -0.025 | 32.259 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | C | 130 | PHE | 0 | 0.045 | 0.012 | 27.700 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | C | 131 | HIS | 0 | -0.001 | 0.017 | 33.072 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | C | 132 | VAL | 0 | 0.010 | -0.003 | 36.407 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | C | 133 | ILE | 0 | 0.002 | 0.002 | 37.342 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | C | 134 | SER | 0 | -0.027 | -0.023 | 39.838 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | C | 135 | PHE | 0 | 0.005 | 0.015 | 42.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | C | 136 | PHE | 0 | -0.030 | -0.013 | 38.830 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | C | 137 | THR | 0 | 0.047 | 0.019 | 40.118 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | C | 138 | SER | 0 | 0.026 | 0.018 | 38.448 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | C | 139 | GLU | -1 | -0.849 | -0.887 | 39.483 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | C | 140 | HIS | 0 | 0.038 | 0.019 | 39.458 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | C | 141 | LYS | 1 | 0.869 | 0.927 | 36.239 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | C | 142 | ILE | 0 | -0.026 | -0.009 | 33.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | C | 143 | LYS | 1 | 0.902 | 0.973 | 32.992 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | C | 144 | GLN | 0 | 0.017 | 0.003 | 30.658 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | C | 145 | LEU | 0 | -0.016 | -0.007 | 30.432 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | C | 146 | SER | 0 | 0.018 | 0.001 | 31.683 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | C | 147 | ALA | 0 | -0.001 | -0.006 | 32.506 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | C | 148 | GLY | 0 | 0.098 | 0.062 | 33.596 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | C | 149 | SER | 0 | -0.033 | -0.029 | 35.481 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | C | 150 | ASN | 0 | 0.011 | 0.015 | 37.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | C | 151 | THR | 0 | 0.045 | 0.041 | 38.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | C | 152 | SER | 0 | -0.004 | -0.030 | 36.720 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | C | 153 | ALA | 0 | 0.016 | 0.021 | 36.424 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | C | 154 | ALA | 0 | -0.009 | -0.008 | 35.769 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | C | 155 | LEU | 0 | -0.003 | 0.020 | 35.712 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | C | 156 | THR | 0 | -0.086 | -0.054 | 36.298 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | C | 157 | GLU | -1 | -0.840 | -0.950 | 33.819 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | C | 158 | ASP | -1 | -0.882 | -0.902 | 38.030 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | C | 159 | GLY | 0 | 0.032 | 0.019 | 40.598 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | C | 160 | ARG | 1 | 0.709 | 0.805 | 41.632 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | C | 161 | LEU | 0 | 0.037 | 0.021 | 39.481 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | C | 162 | PHE | 0 | -0.003 | -0.018 | 40.773 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | C | 163 | MET | 0 | -0.006 | 0.000 | 39.537 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | C | 164 | TRP | 0 | -0.020 | -0.019 | 37.514 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | C | 165 | GLY | 0 | 0.030 | 0.017 | 41.294 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | C | 166 | ASP | -1 | -0.774 | -0.893 | 42.622 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | C | 167 | ASN | 0 | -0.034 | -0.029 | 44.009 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | C | 168 | SER | 0 | -0.014 | -0.020 | 46.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | C | 169 | GLU | -1 | -0.797 | -0.900 | 46.270 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | C | 170 | GLY | 0 | -0.024 | -0.014 | 47.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | C | 171 | GLN | 0 | 0.044 | 0.031 | 42.130 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | C | 172 | ILE | 0 | -0.049 | -0.017 | 41.429 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | C | 173 | GLY | 0 | 0.036 | 0.017 | 43.852 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | C | 174 | LEU | 0 | -0.047 | -0.023 | 46.627 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | C | 175 | LYS | 1 | 0.908 | 0.943 | 49.392 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | C | 176 | ASN | 0 | 0.011 | 0.001 | 52.147 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | C | 177 | VAL | 0 | -0.047 | -0.003 | 50.808 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | C | 178 | SER | 0 | 0.045 | 0.019 | 50.746 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | C | 179 | ASN | 0 | -0.019 | -0.013 | 46.540 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | C | 180 | VAL | 0 | -0.024 | -0.004 | 45.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | C | 181 | CYS | 0 | 0.003 | 0.022 | 45.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | C | 182 | VAL | 0 | -0.010 | 0.002 | 44.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | C | 183 | PRO | 0 | -0.036 | -0.014 | 41.472 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | C | 184 | GLN | 0 | 0.007 | 0.023 | 44.036 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | C | 185 | GLN | 0 | -0.023 | -0.021 | 45.130 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | C | 186 | VAL | 0 | -0.007 | 0.002 | 44.324 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | C | 187 | THR | 0 | -0.030 | -0.032 | 45.461 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | C | 188 | ILE | 0 | 0.017 | 0.008 | 45.962 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | C | 189 | GLY | 0 | -0.018 | 0.005 | 49.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | C | 190 | LYS | 1 | 0.772 | 0.864 | 46.572 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | C | 191 | PRO | 0 | 0.001 | 0.005 | 43.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | C | 192 | VAL | 0 | 0.003 | 0.008 | 39.083 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | C | 193 | SER | 0 | -0.051 | -0.046 | 37.543 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | C | 194 | TRP | 0 | 0.029 | 0.007 | 28.906 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | C | 195 | ILE | 0 | -0.022 | -0.025 | 34.787 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | C | 196 | SER | 0 | -0.029 | 0.001 | 33.429 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | C | 197 | CYS | 0 | 0.002 | -0.005 | 34.953 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | C | 198 | GLY | 0 | 0.062 | 0.030 | 34.349 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | C | 199 | TYR | 0 | -0.156 | -0.111 | 31.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | C | 200 | TYR | 0 | 0.052 | 0.006 | 37.052 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | C | 201 | HIS | 0 | -0.015 | -0.007 | 37.873 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | C | 202 | SER | 0 | 0.005 | -0.009 | 38.746 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | C | 203 | ALA | 0 | 0.012 | 0.012 | 38.182 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | C | 204 | PHE | 0 | -0.024 | -0.019 | 38.228 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | C | 205 | VAL | 0 | 0.028 | 0.026 | 37.088 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | C | 206 | THR | 0 | 0.019 | -0.005 | 39.919 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | C | 207 | THR | 0 | 0.002 | -0.011 | 40.472 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | C | 208 | ASP | -1 | -0.860 | -0.881 | 41.876 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | C | 209 | GLY | 0 | 0.049 | 0.030 | 41.020 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | C | 210 | GLU | -1 | -0.795 | -0.860 | 42.080 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | C | 211 | LEU | 0 | 0.028 | 0.016 | 39.173 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | C | 212 | TYR | 0 | -0.058 | -0.055 | 42.265 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | C | 213 | VAL | 0 | 0.002 | -0.001 | 41.409 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | C | 214 | PHE | 0 | -0.028 | -0.016 | 41.930 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | C | 215 | GLY | 0 | 0.031 | 0.011 | 43.309 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | C | 216 | GLU | -1 | -0.822 | -0.886 | 44.136 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | C | 217 | PRO | 0 | -0.040 | -0.026 | 45.061 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | C | 218 | GLU | -1 | -0.869 | -0.941 | 45.712 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | C | 219 | ASN | 0 | -0.079 | -0.062 | 42.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | C | 220 | GLY | 0 | 0.063 | 0.034 | 43.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | C | 221 | LYS | 1 | 0.751 | 0.865 | 40.124 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | C | 222 | LEU | 0 | -0.031 | -0.004 | 40.980 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | C | 223 | GLY | 0 | 0.030 | 0.015 | 43.594 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | C | 224 | LEU | 0 | -0.022 | -0.013 | 44.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | C | 225 | PRO | 0 | 0.027 | 0.019 | 48.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | C | 226 | ASN | 0 | 0.061 | 0.000 | 51.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | C | 227 | GLN | 0 | 0.004 | 0.004 | 53.281 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | C | 228 | LEU | 0 | 0.004 | 0.001 | 51.354 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | C | 229 | LEU | 0 | 0.020 | 0.032 | 48.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | C | 230 | GLY | 0 | 0.000 | 0.000 | 51.776 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | C | 231 | ASN | 0 | -0.083 | -0.054 | 53.432 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | C | 232 | HIS | 0 | -0.017 | -0.010 | 48.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | C | 233 | ARG | 1 | 0.798 | 0.893 | 48.197 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | C | 234 | THR | 0 | -0.052 | -0.035 | 49.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | C | 235 | PRO | 0 | -0.026 | -0.005 | 45.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | C | 236 | GLN | 0 | -0.025 | -0.013 | 47.030 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | C | 237 | LEU | 0 | 0.016 | 0.012 | 46.460 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | C | 238 | VAL | 0 | 0.009 | -0.005 | 43.170 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | C | 239 | SER | 0 | -0.045 | -0.050 | 45.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | C | 240 | GLU | -1 | -0.936 | -0.944 | 46.496 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | C | 241 | ILE | 0 | -0.027 | -0.001 | 40.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | C | 242 | PRO | 0 | -0.028 | -0.006 | 44.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | C | 243 | GLU | -1 | -0.822 | -0.862 | 40.252 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | C | 244 | LYS | 1 | 0.840 | 0.902 | 41.139 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | C | 245 | VAL | 0 | 0.013 | -0.002 | 37.466 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | C | 246 | ILE | 0 | -0.065 | -0.033 | 33.521 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | C | 247 | GLN | 0 | -0.049 | -0.034 | 28.948 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | C | 248 | VAL | 0 | 0.023 | 0.000 | 33.890 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | C | 249 | ALA | 0 | -0.021 | -0.008 | 30.842 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | C | 250 | CYS | 0 | -0.010 | 0.009 | 32.798 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | C | 251 | GLY | 0 | 0.054 | 0.004 | 32.967 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | C | 252 | GLY | 0 | -0.045 | -0.029 | 33.916 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | C | 253 | GLU | -1 | -0.809 | -0.886 | 35.775 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | C | 254 | HIS | 0 | -0.015 | -0.004 | 32.053 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | C | 255 | THR | 0 | -0.009 | -0.005 | 35.838 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | C | 256 | VAL | 0 | 0.005 | 0.006 | 31.161 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | C | 257 | VAL | 0 | 0.012 | -0.002 | 34.396 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | C | 258 | LEU | 0 | -0.008 | 0.010 | 30.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | C | 259 | THR | 0 | 0.032 | -0.020 | 34.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | C | 260 | GLU | -1 | -0.844 | -0.920 | 35.417 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | C | 261 | ASN | 0 | -0.092 | -0.055 | 37.255 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | C | 262 | ALA | 0 | -0.020 | 0.002 | 35.986 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | C | 263 | VAL | 0 | 0.017 | 0.016 | 31.152 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | C | 264 | TYR | 0 | -0.039 | -0.058 | 34.591 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | C | 265 | THR | 0 | -0.058 | -0.042 | 34.247 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | C | 266 | PHE | 0 | -0.005 | -0.004 | 37.291 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | C | 267 | GLY | 0 | 0.049 | 0.033 | 38.975 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | C | 268 | LEU | 0 | 0.013 | -0.004 | 39.121 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | C | 269 | GLY | 0 | 0.016 | -0.007 | 36.787 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | C | 270 | GLN | 0 | 0.040 | 0.027 | 37.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | C | 271 | PHE | 0 | -0.076 | -0.045 | 32.896 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | C | 272 | GLY | 0 | 0.032 | 0.011 | 32.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | C | 273 | GLN | 0 | 0.049 | 0.003 | 31.665 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | C | 274 | LEU | 0 | 0.021 | 0.030 | 32.724 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | C | 275 | GLY | 0 | -0.019 | -0.002 | 32.695 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | C | 276 | LEU | 0 | 0.033 | 0.007 | 33.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | C | 277 | GLY | 0 | 0.041 | 0.017 | 36.061 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | C | 278 | THR | 0 | -0.053 | -0.050 | 35.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | C | 279 | PHE | 0 | -0.016 | -0.010 | 37.596 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | C | 280 | LEU | 0 | -0.036 | 0.006 | 39.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | C | 281 | PHE | 0 | -0.024 | -0.021 | 39.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | C | 282 | GLU | -1 | -0.930 | -0.966 | 40.946 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | C | 283 | THR | 0 | 0.008 | 0.008 | 41.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | C | 284 | SER | 0 | 0.020 | 0.000 | 43.319 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | C | 285 | GLU | -1 | -0.847 | -0.875 | 45.573 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | C | 286 | PRO | 0 | 0.002 | -0.008 | 41.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | C | 287 | LYS | 1 | 0.792 | 0.891 | 40.391 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | C | 288 | VAL | 0 | 0.044 | 0.030 | 37.642 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | C | 289 | ILE | 0 | -0.016 | -0.010 | 32.405 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | C | 290 | GLU | -1 | -0.850 | -0.926 | 35.158 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | C | 291 | ASN | 0 | -0.078 | -0.048 | 32.236 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | C | 292 | ILE | 0 | 0.020 | 0.009 | 29.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | C | 293 | ARG | 1 | 0.877 | 0.933 | 32.567 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | C | 294 | ASP | -1 | -0.909 | -0.948 | 31.324 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | C | 295 | GLN | 0 | -0.039 | -0.009 | 26.563 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | C | 296 | THR | 0 | 0.013 | -0.016 | 29.390 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | C | 297 | ILE | 0 | -0.045 | -0.022 | 26.956 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | C | 298 | SER | 0 | -0.055 | -0.036 | 24.472 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | C | 299 | TYR | 0 | -0.062 | -0.038 | 23.488 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | C | 300 | ILE | 0 | 0.015 | 0.026 | 26.319 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | C | 301 | SER | 0 | -0.038 | -0.019 | 24.968 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | C | 302 | CYS | 0 | 0.022 | 0.024 | 26.955 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | C | 303 | GLY | 0 | 0.015 | 0.022 | 28.347 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | C | 304 | GLU | -1 | -0.938 | -0.979 | 29.058 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | C | 305 | ASN | 0 | 0.074 | 0.046 | 30.932 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | C | 306 | HIS | 0 | -0.026 | -0.023 | 23.974 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | C | 307 | THR | 0 | 0.014 | 0.019 | 28.039 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | C | 308 | ALA | 0 | -0.010 | -0.015 | 23.208 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | C | 309 | LEU | 0 | 0.004 | 0.016 | 24.786 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | C | 310 | ILE | 0 | -0.027 | -0.011 | 20.281 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | C | 311 | THR | 0 | 0.054 | 0.023 | 23.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | C | 312 | ASP | -1 | -0.762 | -0.859 | 24.027 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | C | 313 | ILE | 0 | -0.092 | -0.043 | 21.568 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | C | 314 | GLY | 0 | 0.001 | 0.001 | 19.585 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | C | 315 | LEU | 0 | -0.001 | 0.011 | 18.222 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | C | 316 | MET | 0 | -0.021 | -0.011 | 18.492 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | C | 317 | TYR | 0 | 0.001 | -0.009 | 21.079 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | C | 318 | THR | 0 | -0.039 | -0.038 | 22.154 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | C | 319 | PHE | 0 | 0.013 | 0.010 | 25.015 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | C | 320 | GLY | 0 | 0.044 | 0.016 | 28.297 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | C | 321 | ASP | -1 | -0.786 | -0.893 | 29.438 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | C | 322 | GLY | 0 | 0.063 | 0.023 | 26.225 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | C | 323 | ARG | 1 | 0.841 | 0.908 | 25.453 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | C | 324 | HIS | 0 | -0.023 | -0.026 | 23.574 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | C | 325 | GLY | 0 | 0.100 | 0.055 | 21.268 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | C | 326 | LYS | 1 | 0.725 | 0.847 | 20.928 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | C | 327 | LEU | 0 | 0.034 | 0.033 | 22.182 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | C | 328 | GLY | 0 | -0.004 | 0.002 | 18.448 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | C | 329 | LEU | 0 | -0.021 | 0.001 | 18.270 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | C | 330 | GLY | 0 | -0.012 | -0.021 | 18.276 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | C | 331 | LEU | 0 | -0.054 | -0.025 | 16.137 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | C | 332 | GLU | -1 | -0.940 | -0.963 | 18.988 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | C | 333 | ASN | 0 | 0.003 | 0.013 | 22.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | C | 334 | PHE | 0 | -0.012 | -0.009 | 21.982 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | C | 335 | THR | 0 | -0.064 | -0.038 | 26.277 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | C | 336 | ASN | 0 | 0.036 | 0.017 | 28.066 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | C | 337 | HIS | 0 | -0.003 | 0.005 | 26.495 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | C | 338 | PHE | 0 | 0.028 | 0.006 | 29.791 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | C | 339 | ILE | 0 | -0.027 | 0.012 | 30.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | C | 340 | PRO | 0 | 0.004 | 0.005 | 28.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | C | 341 | THR | 0 | -0.026 | 0.007 | 24.227 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | C | 342 | LEU | 0 | 0.015 | 0.014 | 21.193 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | C | 343 | CYS | 0 | 0.004 | 0.002 | 17.954 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | C | 344 | SER | 0 | 0.019 | 0.005 | 18.016 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | C | 345 | ASN | 0 | -0.032 | -0.027 | 14.118 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | C | 346 | PHE | 0 | -0.019 | -0.024 | 11.795 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | C | 347 | LEU | 0 | 0.043 | 0.024 | 14.798 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | C | 348 | ARG | 1 | 0.889 | 0.952 | 8.849 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | C | 349 | PHE | 0 | -0.027 | -0.017 | 7.931 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | C | 350 | ILE | 0 | 0.028 | 0.036 | 13.172 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | C | 351 | VAL | 0 | -0.005 | -0.021 | 14.882 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | C | 352 | LYS | 1 | 0.836 | 0.926 | 13.720 | 0.481 | 0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | C | 353 | LEU | 0 | 0.014 | 0.019 | 17.790 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | C | 354 | VAL | 0 | 0.024 | -0.001 | 18.284 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | C | 355 | ALA | 0 | -0.005 | 0.015 | 20.609 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | C | 356 | CYS | 0 | 0.015 | 0.012 | 22.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | C | 357 | GLY | 0 | 0.062 | 0.031 | 24.699 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | C | 358 | GLY | 0 | 0.028 | 0.023 | 26.711 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | C | 359 | CYS | 0 | -0.123 | -0.056 | 26.976 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | C | 360 | HIS | 0 | -0.032 | -0.027 | 21.949 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | C | 361 | MET | 0 | 0.010 | 0.026 | 19.212 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | C | 362 | VAL | 0 | -0.030 | -0.021 | 16.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | C | 363 | VAL | 0 | 0.047 | 0.029 | 15.244 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | C | 364 | PHE | 0 | 0.000 | -0.003 | 12.207 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | C | 365 | ALA | 0 | 0.050 | 0.023 | 12.147 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | C | 366 | ALA | 0 | 0.002 | -0.005 | 9.834 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | C | 367 | PRO | 0 | -0.035 | -0.001 | 6.706 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | C | 368 | HIS | 0 | -0.009 | -0.004 | 9.845 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |