FMODB ID: N3YLQ
Calculation Name: 5RL6-B-Xray89
Preferred Name:
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Target Type:
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Ligand Name: n-[3-(carbamoylamino)phenyl]acetamide
ligand 3-letter code: LJA
PDB ID: 5RL6
Chain ID: B
ChEMBL ID:
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UniProt ID:
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Base Structure: X-ray
Registration Date: 2021-02-01
Reference: K. Fukuzawa, K. Kato, C. Watanabe et. Al., Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins. J. Chem. Inf. Model. 2021, 61, 9, 4594-4612.
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHLSideSolv |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | Waters within average of the temperature factors of receptor. |
Procedure | Auto-FMO protocol ver. 1.20200406 |
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 709 |
LigandCharge | CYM=-1 |
Software | MIZUHO/ABINIT-MP 4.0(SMP) |
FMO2-HF: Electronic energy | -13193854.056318 |
---|---|
FMO2-HF: Nuclear repulsion | 12951610.639827 |
FMO2-HF: Total energy | -242243.416491 |
FMO2-MP2: Total energy | -242933.659276 |
LJA
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. |
-29.398 | -33.192 | 19.426 | -8.862 | -6.773 | -0.007 |
Interactive mode: IFIE and PIEDA for fragment #701(B:1033:HOH )
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. |
-29.398 | -33.192 | 19.426 | -8.862 | -6.773 | 0.007 |
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]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | B | 2 | VAL | 0 | -0.027 | -0.044 | 48.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
2 | B | 3 | GLY | 0 | 0.008 | 0.014 | 46.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
3 | B | 4 | ALA | 0 | 0.005 | 0.002 | 43.996 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
4 | B | 5 | CYM | -1 | -0.873 | -0.821 | 41.989 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 6 | VAL | 0 | 0.004 | -0.003 | 36.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 7 | LEU | 0 | 0.035 | -0.008 | 35.517 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 8 | CYS | 0 | -0.049 | -0.017 | 38.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 9 | ASN | 0 | -0.046 | -0.022 | 42.061 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 10 | SER | 0 | -0.004 | 0.002 | 43.574 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 11 | GLN | 0 | 0.046 | 0.013 | 46.230 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 12 | THR | 0 | -0.049 | 0.006 | 45.978 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 13 | SER | 0 | 0.018 | 0.015 | 48.359 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 14 | LEU | 0 | -0.023 | 0.000 | 45.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 15 | ARG | 1 | 0.946 | 0.978 | 42.357 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 16 | CYS | 0 | -0.027 | 0.021 | 38.068 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 17 | GLY | 0 | 0.004 | -0.022 | 40.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 18 | ALA | 0 | -0.012 | -0.011 | 37.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 19 | CYS | 0 | -0.033 | 0.002 | 34.871 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 20 | ILE | 0 | 0.019 | 0.008 | 30.687 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 21 | ARG | 1 | 0.764 | 0.862 | 32.949 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 22 | ARG | 1 | 0.867 | 0.945 | 35.869 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 23 | PRO | 0 | 0.018 | 0.026 | 36.335 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 24 | PHE | 0 | 0.008 | -0.015 | 38.978 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 25 | LEU | 0 | 0.002 | 0.000 | 38.361 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 26 | CYS | 0 | -0.022 | -0.055 | 42.436 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 27 | CYS | 0 | -0.012 | -0.017 | 45.163 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 28 | LYS | 1 | 0.939 | 0.944 | 45.113 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 29 | CYS | 0 | 0.049 | 0.011 | 40.635 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 30 | CYS | 0 | -0.056 | -0.007 | 40.973 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 31 | TYR | 0 | 0.024 | 0.020 | 42.182 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 32 | ASP | -1 | -0.845 | -0.932 | 39.949 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 33 | HIS | 0 | 0.025 | 0.022 | 34.847 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 34 | VAL | 0 | -0.009 | -0.001 | 38.288 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 35 | ILE | 0 | -0.024 | -0.007 | 40.441 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 36 | SER | 0 | -0.055 | -0.027 | 36.471 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 37 | THR | 0 | -0.001 | 0.010 | 33.908 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 38 | SER | 0 | -0.001 | -0.019 | 34.419 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 39 | HIS | 0 | -0.070 | -0.045 | 33.636 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 40 | LYS | 1 | 0.906 | 0.949 | 38.135 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 41 | LEU | 0 | -0.024 | 0.018 | 41.390 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 42 | VAL | 0 | 0.016 | 0.001 | 42.337 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 43 | LEU | 0 | -0.038 | -0.023 | 43.153 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 44 | SER | 0 | 0.010 | -0.010 | 46.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 45 | VAL | 0 | -0.032 | -0.021 | 49.617 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 46 | ASN | 0 | 0.023 | 0.022 | 51.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 47 | PRO | 0 | -0.022 | -0.015 | 47.775 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 48 | TYR | 0 | -0.076 | -0.052 | 48.362 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 49 | VAL | 0 | 0.043 | 0.011 | 48.686 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 50 | CYM | -1 | -0.799 | -0.810 | 50.909 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 51 | ASN | 0 | -0.016 | -0.011 | 53.966 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 52 | ALA | 0 | 0.016 | 0.003 | 56.832 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 53 | PRO | 0 | 0.021 | -0.010 | 57.101 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 54 | GLY | 0 | -0.010 | 0.000 | 55.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 55 | CYS | 0 | -0.133 | -0.058 | 54.228 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 56 | ASP | -1 | -0.845 | -0.918 | 48.975 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 57 | VAL | 0 | 0.009 | -0.018 | 48.647 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 58 | THR | 0 | 0.040 | 0.004 | 45.776 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 59 | ASP | -1 | -0.818 | -0.871 | 44.381 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 60 | VAL | 0 | 0.066 | 0.014 | 44.886 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 61 | THR | 0 | -0.044 | -0.044 | 44.796 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 62 | GLN | 0 | -0.067 | -0.023 | 47.423 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 63 | LEU | 0 | -0.027 | -0.007 | 49.229 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 64 | TYR | 0 | 0.005 | -0.009 | 52.194 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 65 | LEU | 0 | 0.006 | 0.016 | 55.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 66 | GLY | 0 | -0.004 | -0.014 | 57.475 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 67 | GLY | 0 | 0.003 | 0.002 | 60.857 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 68 | MET | 0 | -0.016 | -0.023 | 60.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 69 | SER | 0 | -0.001 | 0.022 | 58.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 70 | TYR | 0 | 0.003 | -0.009 | 53.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 71 | TYR | 0 | 0.046 | 0.005 | 56.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 72 | CYS | 0 | -0.003 | -0.007 | 53.259 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 73 | LYS | 1 | 0.999 | 0.984 | 54.410 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 74 | SER | 0 | -0.021 | -0.026 | 56.007 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 75 | HIS | 1 | 0.861 | 0.911 | 56.527 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 76 | LYS | 1 | 0.897 | 0.988 | 57.794 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 77 | PRO | 0 | 0.044 | 0.039 | 60.235 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 78 | PRO | 0 | 0.006 | -0.005 | 63.038 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 79 | ILE | 0 | 0.007 | 0.010 | 64.588 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 80 | SER | 0 | -0.006 | -0.028 | 59.569 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 81 | PHE | 0 | -0.031 | 0.004 | 55.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 82 | PRO | 0 | -0.008 | 0.003 | 53.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 83 | LEU | 0 | -0.027 | -0.012 | 51.033 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 84 | CYS | 0 | -0.015 | 0.003 | 46.992 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 85 | ALA | 0 | 0.027 | 0.012 | 49.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 86 | ASN | 0 | -0.021 | -0.016 | 51.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 87 | GLY | 0 | 0.037 | 0.023 | 47.181 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 88 | GLN | 0 | -0.041 | -0.024 | 47.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 89 | VAL | 0 | 0.053 | 0.033 | 45.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 90 | PHE | 0 | -0.027 | -0.024 | 48.743 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 91 | GLY | 0 | 0.073 | 0.040 | 50.987 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 92 | LEU | 0 | 0.011 | -0.001 | 52.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 93 | TYR | 0 | 0.028 | 0.022 | 51.129 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 94 | LYS | 1 | 0.939 | 0.966 | 52.105 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 95 | ASN | 0 | -0.008 | -0.002 | 52.931 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 96 | THR | 0 | -0.029 | 0.002 | 51.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 97 | CYS | 0 | -0.036 | -0.008 | 47.799 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 98 | VAL | 0 | 0.039 | 0.030 | 44.930 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 99 | GLY | 0 | 0.032 | -0.002 | 43.912 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 100 | SER | 0 | -0.009 | -0.036 | 38.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 101 | ASP | -1 | -0.898 | -0.932 | 37.464 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 102 | ASN | 0 | 0.012 | -0.005 | 31.190 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 103 | VAL | 0 | 0.004 | -0.002 | 34.652 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 104 | THR | 0 | 0.008 | 0.002 | 30.685 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 105 | ASP | -1 | -0.838 | -0.909 | 29.262 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 106 | PHE | 0 | -0.016 | -0.019 | 29.774 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 107 | ASN | 0 | 0.046 | 0.010 | 31.854 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 108 | ALA | 0 | 0.030 | 0.037 | 26.641 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 109 | ILE | 0 | 0.000 | 0.007 | 27.214 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 110 | ALA | 0 | -0.018 | -0.013 | 28.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 111 | THR | 0 | -0.024 | -0.022 | 29.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 112 | CYS | 0 | -0.042 | 0.030 | 23.963 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 113 | ASP | -1 | -0.811 | -0.882 | 21.895 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 114 | TRP | 0 | -0.032 | -0.026 | 21.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 115 | THR | 0 | 0.019 | 0.001 | 18.424 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 116 | ASN | 0 | -0.013 | -0.012 | 16.206 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 117 | ALA | 0 | 0.052 | 0.018 | 13.627 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 118 | GLY | 0 | 0.008 | -0.004 | 15.764 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 119 | ASP | -1 | -0.758 | -0.848 | 18.488 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 120 | TYR | 0 | 0.017 | -0.011 | 18.069 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 121 | ILE | 0 | 0.001 | 0.019 | 16.011 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 122 | LEU | 0 | 0.022 | 0.040 | 20.181 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 123 | ALA | 0 | 0.008 | -0.003 | 23.319 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 124 | ASN | 0 | -0.012 | -0.023 | 21.750 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 125 | THR | 0 | -0.053 | -0.029 | 22.939 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 126 | CYS | 0 | 0.006 | 0.041 | 25.621 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 127 | THR | 0 | 0.047 | 0.016 | 28.805 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 128 | GLU | -1 | -0.698 | -0.835 | 31.528 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 129 | ARG | 1 | 0.908 | 0.943 | 32.829 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 130 | LEU | 0 | 0.040 | 0.010 | 30.906 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 131 | LYS | 1 | 0.848 | 0.946 | 27.226 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 132 | LEU | 0 | 0.003 | 0.009 | 29.311 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 133 | PHE | 0 | -0.005 | 0.000 | 31.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 134 | ALA | 0 | 0.044 | 0.015 | 26.665 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 135 | ALA | 0 | 0.019 | 0.015 | 27.229 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 136 | GLU | -1 | -0.738 | -0.837 | 28.293 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 137 | THR | 0 | -0.019 | -0.014 | 28.743 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 138 | LEU | 0 | -0.037 | 0.029 | 22.602 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 139 | LYS | 1 | 0.930 | 0.977 | 26.450 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 140 | ALA | 0 | -0.018 | -0.008 | 28.069 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 141 | THR | 0 | 0.012 | 0.009 | 25.979 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 142 | GLU | -1 | -0.737 | -0.825 | 22.708 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 143 | GLU | -1 | -0.766 | -0.858 | 26.029 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 144 | THR | 0 | -0.016 | -0.016 | 29.352 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 145 | PHE | 0 | 0.012 | 0.006 | 21.922 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 146 | LYS | 1 | 0.814 | 0.916 | 26.326 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 147 | LEU | 0 | -0.001 | 0.012 | 28.090 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 148 | SER | 0 | -0.082 | -0.045 | 27.064 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 149 | TYR | 0 | 0.003 | 0.008 | 22.362 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 150 | GLY | 0 | 0.023 | 0.029 | 28.799 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 151 | ILE | 0 | -0.028 | -0.016 | 31.224 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 152 | ALA | 0 | -0.010 | 0.011 | 31.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 153 | THR | 0 | -0.001 | -0.011 | 33.524 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 154 | VAL | 0 | -0.018 | 0.001 | 36.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 155 | ARG | 1 | 0.878 | 0.922 | 37.705 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 156 | GLU | -1 | -0.825 | -0.927 | 38.778 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 157 | VAL | 0 | -0.005 | -0.005 | 38.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 158 | LEU | 0 | -0.009 | -0.003 | 35.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 159 | SER | 0 | -0.001 | -0.010 | 37.630 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 160 | ASP | -1 | -0.847 | -0.902 | 38.730 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 161 | ARG | 1 | 0.778 | 0.865 | 33.427 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 162 | GLU | -1 | -0.873 | -0.924 | 33.293 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 163 | LEU | 0 | -0.013 | -0.012 | 33.816 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 164 | HIS | 0 | -0.002 | 0.014 | 33.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 165 | LEU | 0 | -0.041 | -0.012 | 30.941 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 166 | SER | 0 | -0.017 | -0.012 | 34.005 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 167 | TRP | 0 | -0.004 | -0.025 | 28.647 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 168 | GLU | -1 | -0.759 | -0.849 | 33.513 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 169 | VAL | 0 | 0.020 | 0.002 | 33.136 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 170 | GLY | 0 | 0.001 | 0.001 | 33.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 171 | LYS | 1 | 0.846 | 0.928 | 30.712 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 172 | PRO | 0 | 0.004 | 0.015 | 25.365 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 173 | ARG | 1 | 0.964 | 0.973 | 25.872 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 174 | PRO | 0 | 0.016 | 0.020 | 23.791 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 175 | PRO | 0 | -0.021 | -0.012 | 19.457 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 176 | LEU | 0 | -0.021 | -0.001 | 21.611 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 177 | ASN | 0 | 0.005 | -0.021 | 18.319 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 178 | ARG | 1 | 0.876 | 0.907 | 21.830 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 179 | ASN | 0 | -0.072 | -0.025 | 19.208 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 180 | TYR | 0 | 0.003 | 0.002 | 19.780 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 181 | VAL | 0 | 0.009 | 0.010 | 24.656 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 182 | PHE | 0 | -0.026 | -0.018 | 26.446 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 183 | THR | 0 | 0.045 | 0.027 | 31.085 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 184 | GLY | 0 | -0.007 | -0.007 | 34.732 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 185 | TYR | 0 | -0.019 | -0.013 | 36.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 186 | ARG | 1 | 0.850 | 0.924 | 40.541 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 187 | VAL | 0 | 0.002 | -0.007 | 43.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 188 | THR | 0 | -0.044 | -0.021 | 46.021 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 189 | LYS | 1 | 0.961 | 0.960 | 49.344 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 190 | ASN | 0 | 0.005 | -0.009 | 50.385 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 191 | SER | 0 | 0.041 | 0.036 | 47.459 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 192 | LYS | 1 | 0.891 | 0.974 | 41.477 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 193 | VAL | 0 | 0.010 | 0.008 | 44.817 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 194 | GLN | 0 | 0.027 | -0.001 | 37.887 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 195 | ILE | 0 | -0.022 | -0.005 | 39.546 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 196 | GLY | 0 | 0.041 | 0.025 | 38.284 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 197 | GLU | -1 | -0.895 | -0.960 | 32.600 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 198 | TYR | 0 | -0.021 | -0.009 | 32.515 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 199 | THR | 0 | 0.002 | 0.019 | 26.922 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 200 | PHE | 0 | -0.009 | -0.014 | 27.013 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 201 | GLU | -1 | -0.826 | -0.883 | 23.050 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 202 | LYS | 1 | 0.834 | 0.909 | 21.511 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 203 | GLY | 0 | 0.035 | 0.015 | 25.831 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 204 | NME | 0 | -0.025 | 0.006 | 28.182 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | ACE | 0 | -0.017 | -0.021 | 31.426 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | ALA | 0 | 0.035 | 0.013 | 30.662 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | VAL | 0 | -0.071 | -0.028 | 28.521 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | VAL | 0 | 0.049 | 0.032 | 28.821 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | TYR | 0 | -0.012 | -0.002 | 29.478 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | ARG | 1 | 0.886 | 0.936 | 27.412 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | GLY | 0 | 0.019 | -0.014 | 31.188 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | THR | 0 | 0.004 | 0.012 | 32.917 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | THR | 0 | 0.031 | 0.027 | 34.566 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | THR | 0 | -0.015 | -0.005 | 37.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | TYR | 0 | 0.041 | 0.010 | 40.469 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | LYS | 1 | 0.952 | 0.979 | 41.432 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | LEU | 0 | -0.032 | -0.012 | 37.200 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | ASN | 0 | -0.004 | -0.010 | 41.830 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | VAL | 0 | 0.008 | -0.007 | 41.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | GLY | 0 | 0.020 | 0.011 | 41.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | ASP | -1 | -0.773 | -0.858 | 40.151 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | TYR | 0 | -0.002 | -0.004 | 36.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | PHE | 0 | -0.007 | -0.006 | 33.048 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | VAL | 0 | -0.022 | -0.008 | 32.175 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | LEU | 0 | 0.005 | 0.009 | 26.270 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | THR | 0 | 0.041 | 0.038 | 30.447 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | SER | 0 | -0.010 | -0.006 | 30.716 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | HIS | 0 | -0.042 | -0.034 | 30.816 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | THR | 0 | 0.012 | 0.007 | 33.564 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | VAL | 0 | -0.023 | -0.001 | 31.218 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | MET | 0 | 0.046 | 0.024 | 34.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | PRO | 0 | -0.014 | -0.011 | 35.487 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | LEU | 0 | -0.036 | 0.010 | 31.507 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | SER | 0 | -0.045 | -0.022 | 36.186 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | ALA | 0 | 0.011 | 0.022 | 37.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | PRO | 0 | 0.033 | 0.027 | 34.727 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | THR | 0 | -0.036 | -0.036 | 29.072 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | LEU | 0 | -0.023 | -0.008 | 29.229 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | VAL | 0 | 0.011 | 0.013 | 33.115 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | PRO | 0 | 0.009 | -0.007 | 35.995 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | GLN | 0 | 0.035 | 0.000 | 34.498 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLU | -1 | -0.823 | -0.867 | 37.688 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | HIS | 0 | 0.028 | 0.017 | 36.396 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | TYR | 0 | -0.071 | -0.055 | 41.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | VAL | 0 | 0.027 | 0.013 | 44.192 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | ARG | 1 | 0.952 | 0.970 | 46.944 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | ILE | 0 | 0.004 | 0.018 | 44.621 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | THR | 0 | 0.010 | 0.011 | 45.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | GLY | 0 | -0.028 | -0.005 | 46.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | LEU | 0 | 0.029 | 0.027 | 42.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | TYR | 0 | -0.020 | -0.013 | 47.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | PRO | 0 | 0.016 | 0.030 | 47.063 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | THR | 0 | 0.012 | 0.012 | 47.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | LEU | 0 | -0.008 | 0.001 | 49.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASN | 0 | -0.034 | -0.012 | 50.907 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | ILE | 0 | -0.010 | -0.001 | 43.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | SER | 0 | 0.054 | 0.032 | 44.895 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | ASP | -1 | -0.829 | -0.931 | 44.145 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | GLU | -1 | -0.702 | -0.821 | 40.293 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | PHE | 0 | -0.059 | -0.015 | 38.408 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | SER | 0 | 0.009 | 0.017 | 40.517 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | SER | 0 | 0.011 | 0.002 | 36.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ASN | 0 | -0.019 | 0.001 | 35.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 266 | VAL | 0 | 0.052 | 0.036 | 37.864 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 267 | ALA | 0 | 0.015 | 0.009 | 38.781 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 268 | ASN | 0 | 0.025 | 0.009 | 33.292 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 269 | TYR | 0 | 0.032 | 0.010 | 37.112 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLN | 0 | 0.013 | 0.026 | 39.746 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | LYS | 1 | 0.899 | 0.938 | 34.551 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | VAL | 0 | -0.009 | 0.003 | 36.375 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.047 | 0.021 | 38.665 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | MET | 0 | -0.054 | -0.024 | 41.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | GLN | 0 | 0.003 | 0.005 | 34.741 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | LYS | 1 | 0.841 | 0.941 | 38.549 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | TYR | 0 | -0.001 | -0.002 | 31.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | SER | 0 | 0.009 | 0.011 | 33.556 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | THR | 0 | -0.009 | -0.016 | 28.079 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | LEU | 0 | 0.012 | -0.003 | 29.222 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | GLN | 0 | -0.006 | -0.020 | 20.674 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | GLY | 0 | 0.011 | -0.015 | 25.244 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | PRO | 0 | -0.002 | 0.028 | 21.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | -0.006 | 0.006 | 19.668 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | GLY | 0 | 0.037 | 0.016 | 22.948 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | THR | 0 | -0.033 | -0.023 | 25.546 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLY | 0 | 0.012 | 0.022 | 28.154 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | LYS | 1 | 0.895 | 0.950 | 24.476 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | SER | 0 | 0.076 | 0.051 | 30.031 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | HIS | 0 | 0.003 | -0.008 | 32.509 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | PHE | 0 | -0.008 | -0.001 | 32.930 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | ALA | 0 | 0.035 | 0.014 | 33.395 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ILE | 0 | -0.009 | 0.009 | 35.376 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | GLY | 0 | 0.068 | 0.023 | 38.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | LEU | 0 | -0.042 | -0.012 | 37.326 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ALA | 0 | -0.001 | -0.003 | 40.126 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | LEU | 0 | -0.026 | -0.008 | 42.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 298 | TYR | 0 | -0.042 | -0.029 | 42.873 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 299 | TYR | 0 | -0.026 | -0.042 | 41.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 300 | PRO | 0 | 0.062 | 0.052 | 46.032 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | SER | 0 | -0.015 | -0.013 | 48.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | ALA | 0 | -0.064 | -0.013 | 44.941 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | ARG | 1 | 0.839 | 0.915 | 45.142 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | ILE | 0 | -0.029 | -0.018 | 39.474 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | -0.001 | 0.007 | 38.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | TYR | 0 | -0.030 | -0.033 | 35.653 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | THR | 0 | -0.018 | -0.030 | 32.947 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ALA | 0 | 0.030 | 0.009 | 29.051 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | CYS | 0 | -0.058 | -0.020 | 26.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | SER | 0 | 0.014 | 0.016 | 26.699 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | 0.115 | 0.045 | 28.914 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | ALA | 0 | 0.018 | 0.030 | 27.877 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | ALA | 0 | 0.030 | 0.025 | 27.478 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | VAL | 0 | 0.042 | 0.017 | 29.408 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | ASP | -1 | -0.732 | -0.857 | 33.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | ALA | 0 | -0.016 | 0.003 | 30.676 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.046 | -0.018 | 32.228 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | CYS | 0 | -0.047 | -0.014 | 34.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | GLU | -1 | -0.815 | -0.916 | 35.432 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | LYS | 1 | 0.835 | 0.953 | 35.001 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ALA | 0 | 0.021 | -0.004 | 37.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | LEU | 0 | -0.016 | 0.003 | 40.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | LYS | 1 | 0.817 | 0.925 | 39.887 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | TYR | 0 | -0.123 | -0.102 | 38.521 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | LEU | 0 | -0.019 | -0.002 | 41.682 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | PRO | 0 | 0.018 | 0.013 | 44.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | ILE | 0 | 0.069 | 0.029 | 45.826 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ASP | -1 | -0.851 | -0.908 | 47.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | LYS | 1 | 0.878 | 0.929 | 48.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | CYS | 0 | -0.050 | -0.005 | 43.447 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | SER | 0 | -0.032 | -0.023 | 44.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | ARG | 1 | 0.808 | 0.889 | 35.148 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | ILE | 0 | -0.027 | -0.029 | 40.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | ILE | 0 | 0.011 | -0.007 | 39.220 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | PRO | 0 | -0.012 | 0.005 | 37.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | ALA | 0 | 0.012 | -0.003 | 40.683 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 337 | NME | 0 | -0.004 | 0.009 | 39.600 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 339 | ACE | 0 | -0.004 | -0.014 | 37.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 340 | VAL | 0 | -0.034 | -0.033 | 33.601 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 341 | GLU | -1 | -0.960 | -0.955 | 35.768 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 342 | CYS | 0 | -0.048 | -0.025 | 35.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 343 | PHE | 0 | -0.011 | -0.024 | 36.901 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 344 | ASP | -1 | -0.872 | -0.918 | 38.792 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 345 | LYS | 1 | 0.897 | 0.964 | 39.998 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 346 | PHE | 0 | -0.028 | -0.015 | 40.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 347 | LYS | 1 | 0.847 | 0.921 | 44.992 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 348 | VAL | 0 | 0.055 | 0.030 | 43.863 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 349 | ASN | 0 | -0.059 | -0.023 | 43.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 350 | SER | 0 | -0.004 | -0.001 | 45.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 351 | THR | 0 | 0.041 | -0.012 | 45.337 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 352 | LEU | 0 | -0.002 | -0.004 | 46.708 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 353 | GLU | -1 | -0.811 | -0.864 | 46.450 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 354 | GLN | 0 | -0.073 | -0.051 | 46.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 355 | TYR | 0 | 0.022 | 0.004 | 42.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 356 | VAL | 0 | 0.006 | 0.011 | 41.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 357 | PHE | 0 | 0.032 | 0.008 | 37.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 358 | CYS | 0 | -0.008 | -0.005 | 36.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 359 | THR | 0 | 0.010 | 0.033 | 32.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 360 | VAL | 0 | 0.029 | 0.006 | 30.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 361 | ASN | 0 | -0.029 | -0.018 | 32.343 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 362 | ALA | 0 | -0.004 | 0.005 | 34.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 363 | LEU | 0 | -0.003 | 0.007 | 35.696 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 364 | PRO | 0 | 0.019 | 0.017 | 39.007 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 365 | GLU | -1 | -0.815 | -0.879 | 42.016 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 366 | THR | 0 | -0.012 | -0.014 | 43.080 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 367 | THR | 0 | 0.012 | 0.014 | 43.927 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 368 | ALA | 0 | -0.004 | 0.003 | 42.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 369 | ASP | -1 | -0.763 | -0.857 | 44.211 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 370 | ILE | 0 | -0.018 | -0.030 | 38.523 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 371 | VAL | 0 | 0.035 | 0.035 | 35.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 372 | VAL | 0 | -0.011 | -0.006 | 33.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 373 | PHE | 0 | 0.000 | -0.015 | 28.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 374 | ASP | -1 | -0.757 | -0.841 | 28.516 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 375 | GLU | -1 | -0.805 | -0.855 | 23.188 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 376 | ILE | 0 | 0.025 | 0.008 | 24.612 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 377 | SER | 0 | 0.010 | -0.003 | 19.394 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 378 | MET | 0 | -0.025 | 0.008 | 20.437 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 379 | ALA | 0 | 0.003 | 0.027 | 22.274 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 380 | THR | 0 | -0.031 | -0.016 | 22.974 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 381 | ASN | 0 | 0.042 | -0.023 | 24.883 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 382 | TYR | 0 | -0.018 | -0.023 | 27.245 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 383 | ASP | -1 | -0.789 | -0.880 | 26.871 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 384 | LEU | 0 | -0.049 | -0.006 | 26.955 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 385 | SER | 0 | 0.024 | 0.028 | 30.552 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 386 | VAL | 0 | 0.013 | 0.003 | 32.976 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 387 | VAL | 0 | 0.016 | 0.004 | 32.916 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 388 | ASN | 0 | -0.050 | -0.020 | 34.395 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 389 | ALA | 0 | -0.037 | -0.013 | 37.032 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 390 | ARG | 1 | 0.776 | 0.888 | 38.409 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 391 | LEU | 0 | 0.020 | 0.009 | 37.673 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 392 | ARG | 1 | 0.811 | 0.908 | 40.283 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 393 | ALA | 0 | 0.016 | -0.006 | 40.276 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 394 | LYS | 1 | 0.749 | 0.874 | 42.348 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 395 | HIS | 1 | 0.786 | 0.877 | 39.550 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 396 | TYR | 0 | 0.008 | 0.006 | 35.265 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 397 | VAL | 0 | 0.015 | 0.004 | 32.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 398 | TYR | 0 | -0.009 | -0.006 | 28.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 399 | ILE | 0 | 0.006 | -0.003 | 28.377 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 400 | GLY | 0 | 0.044 | 0.011 | 24.731 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 401 | ASP | -1 | -0.694 | -0.819 | 20.344 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 402 | PRO | 0 | 0.023 | 0.020 | 19.094 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 403 | ALA | 0 | 0.028 | 0.024 | 16.140 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 404 | GLN | 0 | -0.075 | -0.038 | 15.671 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 405 | LEU | 0 | 0.004 | 0.006 | 12.737 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 406 | PRO | 0 | 0.021 | 0.038 | 14.915 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 407 | ALA | 0 | 0.022 | 0.004 | 17.728 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 408 | PRO | 0 | -0.005 | -0.015 | 17.139 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 409 | ARG | 1 | 0.810 | 0.915 | 16.923 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 410 | THR | 0 | -0.039 | -0.037 | 17.357 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 411 | LEU | 0 | 0.013 | 0.004 | 19.004 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 412 | LEU | 0 | -0.081 | -0.015 | 13.934 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 413 | THR | 0 | -0.014 | -0.016 | 13.933 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 414 | LYS | 1 | 0.830 | 0.923 | 12.364 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 415 | GLY | 0 | 0.044 | 0.012 | 10.670 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 416 | THR | 0 | 0.000 | -0.004 | 7.234 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 417 | LEU | 0 | 0.018 | 0.028 | 10.364 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 418 | GLU | -1 | -0.890 | -0.956 | 10.472 | 0.867 | 0.867 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 419 | PRO | 0 | 0.029 | 0.001 | 13.305 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 420 | GLU | -1 | -0.854 | -0.882 | 16.462 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 421 | TYR | 0 | 0.013 | -0.011 | 16.340 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 422 | PHE | 0 | -0.032 | 0.010 | 14.734 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 423 | ASN | 0 | 0.046 | 0.018 | 19.633 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 424 | SER | 0 | 0.041 | 0.003 | 23.396 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 425 | VAL | 0 | 0.008 | 0.016 | 25.959 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 426 | CYS | 0 | -0.083 | -0.038 | 20.695 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 427 | ARG | 1 | 0.880 | 0.926 | 20.571 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 428 | LEU | 0 | -0.002 | 0.021 | 23.167 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 429 | MET | 0 | -0.037 | -0.019 | 23.245 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 430 | LYS | 1 | 0.875 | 0.932 | 16.613 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 431 | THR | 0 | -0.061 | -0.034 | 21.728 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 432 | ILE | 0 | -0.023 | -0.012 | 24.152 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 433 | GLY | 0 | 0.023 | 0.041 | 25.282 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 434 | PRO | 0 | -0.052 | -0.028 | 24.830 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 435 | ASP | -1 | -0.780 | -0.839 | 27.637 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 436 | MET | 0 | -0.070 | -0.022 | 30.370 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 437 | PHE | 0 | 0.019 | 0.006 | 23.358 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 438 | LEU | 0 | -0.040 | -0.005 | 27.877 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 439 | GLY | 0 | 0.062 | 0.013 | 27.167 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 440 | THR | 0 | -0.010 | 0.012 | 27.759 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 441 | CYS | 0 | -0.023 | -0.001 | 24.628 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 442 | ARG | 1 | 0.906 | 0.925 | 27.036 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 443 | ARG | 1 | 0.786 | 0.890 | 22.739 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 444 | CYS | 0 | -0.046 | -0.008 | 22.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 445 | PRO | 0 | 0.061 | 0.061 | 23.610 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 446 | ALA | 0 | 0.046 | -0.004 | 24.034 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 447 | GLU | -1 | -0.699 | -0.817 | 21.460 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 448 | ILE | 0 | -0.029 | -0.003 | 18.817 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 449 | VAL | 0 | -0.026 | -0.018 | 19.458 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 450 | ASP | -1 | -0.835 | -0.919 | 20.932 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 451 | THR | 0 | -0.057 | -0.028 | 15.191 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 452 | VAL | 0 | 0.011 | -0.002 | 15.714 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 453 | SER | 0 | -0.065 | -0.050 | 17.169 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 454 | ALA | 0 | 0.032 | 0.022 | 17.378 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 455 | LEU | 0 | -0.069 | -0.008 | 10.426 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 456 | VAL | 0 | -0.012 | -0.015 | 13.463 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 457 | TYR | 0 | -0.047 | -0.035 | 15.867 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 458 | ASP | -1 | -0.827 | -0.916 | 18.783 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 459 | ASN | 0 | -0.036 | -0.021 | 20.104 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 460 | LYS | 1 | 0.912 | 0.968 | 22.345 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 461 | LEU | 0 | -0.056 | -0.011 | 21.644 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 462 | LYS | 1 | 0.886 | 0.941 | 24.341 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 463 | ALA | 0 | 0.031 | 0.016 | 26.126 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 464 | HIS | 0 | 0.030 | 0.029 | 27.630 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 465 | LYS | 1 | 0.818 | 0.903 | 28.531 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 466 | ASP | -1 | -0.801 | -0.891 | 29.352 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 467 | LYS | 1 | 0.807 | 0.901 | 24.614 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 468 | SER | 0 | -0.029 | -0.030 | 26.154 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 469 | ALA | 0 | -0.049 | -0.019 | 26.955 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 470 | GLN | 0 | -0.012 | 0.015 | 26.038 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 471 | CYS | 0 | -0.013 | 0.023 | 21.012 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 472 | PHE | 0 | 0.052 | 0.020 | 20.742 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 473 | LYS | 1 | 0.824 | 0.918 | 15.259 | 0.582 | 0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 474 | MET | 0 | 0.008 | 0.018 | 16.208 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 475 | PHE | 0 | 0.006 | 0.007 | 9.982 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 476 | TYR | 0 | 0.045 | 0.007 | 13.550 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 477 | LYS | 1 | 0.856 | 0.910 | 8.848 | 1.449 | 1.449 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 478 | GLY | 0 | 0.011 | 0.033 | 12.697 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 479 | VAL | 0 | 0.002 | -0.009 | 15.515 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 480 | ILE | 0 | 0.001 | 0.019 | 9.743 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 481 | THR | 0 | -0.061 | -0.027 | 14.018 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 482 | HIS | 0 | 0.043 | 0.010 | 11.183 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 483 | ASP | -1 | -0.795 | -0.881 | 16.344 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 484 | VAL | 0 | -0.006 | 0.001 | 17.717 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 485 | SER | 0 | 0.024 | 0.011 | 16.676 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 486 | SER | 0 | -0.079 | -0.052 | 14.380 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 487 | ALA | 0 | 0.065 | 0.041 | 11.724 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 488 | ILE | 0 | -0.038 | -0.029 | 13.678 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 489 | ASN | 0 | 0.010 | -0.022 | 12.195 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 490 | ARG | 1 | 0.984 | 0.985 | 15.489 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 491 | PRO | 0 | 0.012 | 0.013 | 17.453 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 492 | GLN | 0 | 0.038 | 0.015 | 11.270 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 493 | ILE | 0 | -0.017 | 0.000 | 17.045 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 494 | GLY | 0 | -0.014 | -0.006 | 19.834 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 495 | VAL | 0 | 0.049 | 0.026 | 19.147 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 496 | VAL | 0 | 0.002 | 0.005 | 19.134 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 497 | ARG | 1 | 0.910 | 0.945 | 21.854 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 498 | GLU | -1 | -0.829 | -0.911 | 24.781 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 499 | PHE | 0 | -0.012 | 0.000 | 23.409 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 500 | LEU | 0 | 0.024 | 0.003 | 25.051 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 501 | THR | 0 | -0.120 | -0.055 | 27.424 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 502 | ARG | 1 | 0.975 | 0.988 | 25.443 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 503 | ASN | 0 | -0.058 | -0.013 | 27.290 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 504 | PRO | 0 | 0.056 | 0.018 | 29.247 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 505 | ALA | 0 | 0.006 | 0.008 | 31.155 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 506 | TRP | 0 | 0.020 | -0.008 | 22.501 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 507 | ARG | 1 | 0.910 | 0.959 | 26.997 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 508 | LYS | 1 | 0.919 | 0.992 | 29.213 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 509 | ALA | 0 | 0.005 | 0.016 | 23.869 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 510 | VAL | 0 | -0.005 | 0.013 | 21.801 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 511 | PHE | 0 | 0.001 | -0.006 | 17.456 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 512 | ILE | 0 | 0.006 | -0.019 | 15.469 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 513 | SER | 0 | 0.007 | -0.013 | 13.681 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 514 | PRO | 0 | 0.002 | 0.001 | 9.184 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 515 | TYR | 0 | 0.012 | 0.024 | 7.708 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 516 | ASN | 0 | 0.087 | 0.046 | 14.111 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 517 | SER | 0 | -0.048 | -0.052 | 17.170 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 518 | GLN | 0 | 0.085 | 0.051 | 14.789 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 519 | ASN | 0 | -0.011 | 0.000 | 17.055 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 520 | ALA | 0 | 0.023 | 0.018 | 19.354 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 521 | VAL | 0 | -0.047 | -0.031 | 20.179 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 522 | ALA | 0 | 0.027 | 0.010 | 19.859 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 523 | SER | 0 | -0.033 | -0.003 | 21.911 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 524 | LYS | 1 | 0.940 | 0.969 | 24.791 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 525 | ILE | 0 | -0.044 | -0.021 | 23.107 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 526 | LEU | 0 | -0.050 | -0.021 | 21.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 527 | GLY | 0 | 0.018 | 0.021 | 26.177 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 528 | LEU | 0 | -0.053 | -0.008 | 23.329 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 529 | PRO | 0 | 0.018 | 0.013 | 25.494 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 530 | THR | 0 | -0.040 | -0.016 | 20.945 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 531 | GLN | 0 | 0.033 | 0.029 | 20.281 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 532 | THR | 0 | -0.033 | -0.004 | 15.932 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 533 | VAL | 0 | 0.042 | 0.008 | 12.257 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 534 | ASP | -1 | -0.728 | -0.809 | 14.054 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 535 | SER | 0 | -0.026 | -0.012 | 16.783 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 536 | SER | 0 | -0.034 | -0.012 | 17.863 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 537 | GLN | 0 | 0.026 | -0.004 | 18.592 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 538 | GLY | 0 | -0.013 | -0.007 | 20.429 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 539 | SER | 0 | -0.033 | -0.004 | 23.112 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 540 | GLU | -1 | -0.815 | -0.887 | 23.405 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 541 | TYR | 0 | 0.043 | 0.006 | 21.997 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 542 | ASP | -1 | -0.816 | -0.871 | 25.335 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 543 | TYR | 0 | -0.020 | -0.035 | 24.664 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 544 | VAL | 0 | 0.012 | 0.010 | 18.673 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 545 | ILE | 0 | 0.018 | 0.004 | 19.062 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 546 | PHE | 0 | 0.038 | 0.003 | 10.204 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 547 | THR | 0 | 0.012 | 0.025 | 14.085 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 548 | GLN | 0 | 0.096 | 0.023 | 5.750 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 549 | THR | 0 | -0.059 | -0.027 | 9.208 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 550 | THR | 0 | 0.034 | 0.008 | 7.526 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 551 | GLU | -1 | -0.701 | -0.771 | 4.163 | -2.216 | -2.158 | -0.001 | -0.010 | -0.047 | 0.000 |
548 | B | 552 | THR | 0 | 0.044 | 0.023 | 3.200 | -0.908 | -0.107 | 0.058 | -0.450 | -0.410 | -0.004 |
549 | B | 553 | ALA | 0 | 0.086 | 0.035 | 2.707 | -3.975 | -2.322 | 0.539 | -1.164 | -1.027 | -0.006 |
550 | B | 554 | HIS | 0 | -0.056 | -0.043 | 3.855 | -1.525 | -1.459 | 0.003 | 0.006 | -0.075 | 0.000 |
551 | B | 555 | SER | 0 | -0.025 | -0.041 | 5.378 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 556 | CYS | 0 | -0.053 | 0.008 | 2.336 | -1.533 | -0.880 | 3.163 | -1.900 | -1.916 | 0.011 |
553 | B | 557 | ASN | 0 | 0.033 | 0.047 | 4.283 | 0.370 | 0.412 | -0.001 | -0.014 | -0.028 | 0.000 |
554 | B | 558 | VAL | 0 | 0.080 | 0.030 | 6.954 | -0.376 | -0.376 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 559 | ASN | 0 | 0.001 | 0.003 | 9.556 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 560 | ARG | 1 | 0.793 | 0.879 | 9.151 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 561 | PHE | 0 | 0.065 | 0.018 | 9.008 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 562 | ASN | 0 | -0.001 | -0.024 | 11.019 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 563 | VAL | 0 | -0.024 | 0.016 | 14.307 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 564 | ALA | 0 | -0.006 | 0.006 | 13.312 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 565 | ILE | 0 | 0.020 | -0.005 | 14.001 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 566 | THR | 0 | -0.009 | -0.021 | 16.719 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 567 | ARG | 1 | 0.813 | 0.906 | 18.585 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 568 | ALA | 0 | 0.022 | 0.020 | 21.067 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 569 | LYS | 1 | 0.841 | 0.916 | 22.894 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 570 | VAL | 0 | -0.033 | -0.015 | 26.170 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 571 | GLY | 0 | 0.051 | 0.035 | 24.455 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 572 | ILE | 0 | -0.026 | -0.026 | 17.164 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 573 | LEU | 0 | 0.021 | 0.034 | 19.058 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 574 | CYS | 0 | -0.048 | -0.011 | 14.087 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 575 | ILE | 0 | -0.009 | 0.001 | 14.580 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 576 | MET | 0 | -0.042 | -0.011 | 9.118 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 577 | SER | 0 | 0.037 | -0.010 | 7.605 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 578 | ASP | -1 | -0.763 | -0.851 | 4.405 | -6.060 | -5.994 | -0.001 | -0.025 | -0.041 | 0.000 |
575 | B | 579 | ARG | 1 | 0.814 | 0.883 | 6.799 | 1.217 | 1.217 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 580 | ASP | -1 | -0.733 | -0.810 | 5.869 | -1.436 | -1.436 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 581 | LEU | 0 | -0.001 | -0.011 | 6.351 | 0.507 | 0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 582 | TYR | 0 | -0.004 | -0.008 | 8.781 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 583 | ASP | -1 | -0.795 | -0.877 | 11.177 | -0.591 | -0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 584 | LYS | 1 | 0.813 | 0.890 | 8.612 | 1.148 | 1.148 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 585 | LEU | 0 | -0.042 | 0.005 | 12.959 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 586 | GLN | 0 | -0.005 | 0.011 | 15.163 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 587 | PHE | 0 | -0.011 | -0.032 | 16.912 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 588 | THR | 0 | 0.033 | 0.018 | 20.021 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 589 | SER | 0 | -0.019 | -0.015 | 19.214 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 590 | LEU | 0 | -0.055 | -0.035 | 20.223 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 591 | GLU | -1 | -0.856 | -0.922 | 20.626 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 592 | ILE | 0 | -0.116 | -0.076 | 18.120 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 593 | PRO | -1 | -0.951 | -0.961 | 21.809 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 801 | HOH | 0 | 0.016 | -0.004 | 49.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 804 | HOH | 0 | -0.050 | -0.037 | 21.455 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 805 | HOH | 0 | -0.014 | -0.039 | 13.670 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 806 | HOH | 0 | -0.020 | -0.027 | 27.327 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 807 | HOH | 0 | -0.026 | -0.023 | 27.430 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 808 | HOH | 0 | -0.049 | -0.043 | 7.579 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 809 | HOH | 0 | -0.019 | -0.025 | 27.692 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 814 | HOH | 0 | -0.015 | -0.014 | 9.712 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 815 | HOH | 0 | -0.009 | -0.028 | 44.887 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 816 | HOH | 0 | 0.004 | -0.003 | 27.653 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 817 | HOH | 0 | 0.011 | -0.029 | 49.526 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 818 | HOH | 0 | -0.027 | -0.021 | 30.915 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 820 | HOH | 0 | -0.054 | -0.041 | 29.642 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 821 | HOH | 0 | -0.017 | -0.030 | 20.630 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 822 | HOH | 0 | -0.033 | -0.039 | 26.493 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 823 | HOH | 0 | -0.012 | -0.015 | 28.475 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 824 | HOH | 0 | -0.036 | -0.027 | 33.483 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 825 | HOH | 0 | -0.015 | -0.028 | 50.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 826 | HOH | 0 | 0.011 | -0.006 | 35.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 827 | HOH | 0 | -0.037 | -0.038 | 4.518 | 0.499 | 0.508 | 0.000 | -0.001 | -0.008 | 0.000 |
610 | B | 829 | HOH | 0 | 0.010 | -0.014 | 34.250 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 830 | HOH | 0 | -0.023 | -0.031 | 24.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 832 | HOH | 0 | -0.011 | -0.017 | 30.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 833 | HOH | 0 | -0.010 | -0.014 | 30.372 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 834 | HOH | 0 | -0.066 | -0.057 | 39.220 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 835 | HOH | 0 | -0.014 | -0.024 | 42.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 836 | HOH | 0 | -0.003 | -0.023 | 20.466 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 837 | HOH | 0 | -0.023 | -0.034 | 46.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 839 | HOH | 0 | 0.009 | -0.003 | 30.001 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 841 | HOH | 0 | -0.038 | -0.029 | 4.906 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 843 | HOH | 0 | -0.015 | -0.008 | 33.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 844 | HOH | 0 | 0.023 | -0.007 | 35.998 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 846 | HOH | 0 | -0.002 | -0.006 | 26.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 847 | HOH | 0 | -0.019 | -0.028 | 25.234 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 848 | HOH | 0 | 0.011 | -0.006 | 21.977 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 853 | HOH | 0 | -0.017 | -0.027 | 22.730 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 854 | HOH | 0 | -0.020 | -0.014 | 37.578 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 855 | HOH | 0 | -0.024 | -0.011 | 26.464 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 857 | HOH | 0 | -0.004 | -0.013 | 11.372 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 858 | HOH | 0 | -0.029 | -0.029 | 29.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 859 | HOH | 0 | 0.004 | -0.004 | 24.483 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 861 | HOH | 0 | -0.030 | -0.027 | 7.109 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 863 | HOH | 0 | -0.023 | -0.026 | 24.644 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 864 | HOH | 0 | -0.018 | -0.021 | 31.709 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 865 | HOH | 0 | -0.012 | -0.013 | 32.154 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 867 | HOH | 0 | -0.028 | -0.041 | 4.205 | -0.649 | -0.593 | 0.000 | -0.031 | -0.025 | 0.000 |
636 | B | 868 | HOH | 0 | -0.051 | -0.041 | 30.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 869 | HOH | 0 | 0.007 | -0.013 | 13.473 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 876 | HOH | 0 | -0.009 | -0.020 | 31.104 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 877 | HOH | 0 | -0.033 | -0.034 | 21.943 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 879 | HOH | 0 | 0.011 | 0.002 | 33.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 880 | HOH | 0 | -0.043 | -0.042 | 6.589 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 882 | HOH | 0 | -0.014 | -0.014 | 36.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | B | 884 | HOH | 0 | -0.027 | -0.019 | 15.083 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | B | 885 | HOH | 0 | -0.010 | -0.020 | 36.549 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | B | 888 | HOH | 0 | 0.013 | -0.008 | 26.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | B | 889 | HOH | 0 | -0.006 | -0.021 | 22.144 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | B | 891 | HOH | 0 | -0.011 | -0.020 | 16.851 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | B | 893 | HOH | 0 | -0.001 | -0.005 | 16.663 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | B | 895 | HOH | 0 | 0.004 | -0.016 | 22.746 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | B | 897 | HOH | 0 | 0.013 | -0.003 | 18.619 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | B | 898 | HOH | 0 | -0.019 | -0.031 | 15.648 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | B | 899 | HOH | 0 | -0.031 | -0.025 | 44.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | B | 900 | HOH | 0 | -0.001 | -0.010 | 1.897 | -9.935 | -12.335 | 6.316 | -2.338 | -1.578 | -0.028 |
654 | B | 901 | HOH | 0 | -0.020 | -0.028 | 29.261 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | B | 903 | HOH | 0 | -0.013 | -0.017 | 34.169 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | B | 905 | HOH | 0 | 0.014 | 0.004 | 27.890 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | B | 907 | HOH | 0 | -0.014 | -0.015 | 32.561 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | B | 912 | HOH | 0 | 0.018 | 0.010 | 22.815 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | B | 913 | HOH | 0 | -0.007 | -0.007 | 21.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | B | 917 | HOH | 0 | -0.014 | -0.019 | 32.519 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | B | 919 | HOH | 0 | -0.028 | -0.030 | 30.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | B | 920 | HOH | 0 | -0.030 | -0.027 | 30.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | B | 921 | HOH | 0 | -0.054 | -0.051 | 23.915 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | B | 923 | HOH | 0 | -0.009 | -0.012 | 16.236 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | B | 926 | HOH | 0 | -0.011 | -0.018 | 23.650 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | B | 927 | HOH | 0 | 0.037 | 0.019 | 7.371 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | B | 928 | HOH | 0 | 0.001 | -0.002 | 11.023 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | B | 929 | HOH | 0 | 0.029 | 0.017 | 39.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | B | 933 | HOH | 0 | -0.004 | -0.005 | 49.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | B | 934 | HOH | 0 | -0.002 | -0.012 | 29.313 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | B | 935 | HOH | 0 | -0.008 | -0.015 | 40.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | B | 936 | HOH | 0 | 0.003 | -0.001 | 14.156 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | B | 939 | HOH | 0 | -0.034 | -0.021 | 22.789 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | B | 940 | HOH | 0 | -0.010 | -0.025 | 8.691 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | B | 941 | HOH | 0 | -0.031 | -0.020 | 39.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | B | 942 | HOH | 0 | -0.037 | -0.041 | 26.034 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | B | 944 | HOH | 0 | 0.007 | -0.008 | 32.668 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | B | 950 | HOH | 0 | 0.033 | 0.018 | 36.132 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | B | 954 | HOH | 0 | -0.012 | -0.019 | 43.219 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | B | 955 | HOH | 0 | 0.000 | -0.007 | 49.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | B | 958 | HOH | 0 | 0.018 | 0.009 | 11.414 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | B | 959 | HOH | 0 | 0.002 | -0.015 | 48.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | B | 960 | HOH | 0 | 0.034 | 0.017 | 27.779 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | B | 963 | HOH | 0 | 0.037 | 0.019 | 14.832 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | B | 966 | HOH | 0 | 0.031 | 0.016 | 6.990 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | B | 967 | HOH | 0 | 0.027 | 0.016 | 32.260 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | B | 968 | HOH | 0 | -0.012 | -0.015 | 21.409 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | B | 973 | HOH | 0 | -0.012 | -0.016 | 32.013 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | B | 977 | HOH | 0 | 0.001 | -0.023 | 23.409 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | B | 979 | HOH | 0 | -0.003 | -0.017 | 29.121 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | B | 988 | HOH | 0 | -0.022 | -0.021 | 35.366 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | B | 990 | HOH | 0 | 0.014 | -0.020 | 25.299 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | B | 1003 | HOH | 0 | -0.005 | -0.014 | 29.540 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | B | 1012 | HOH | 0 | -0.014 | -0.027 | 36.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | B | 1014 | HOH | 0 | -0.023 | -0.025 | 34.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | B | 1020 | HOH | 0 | -0.013 | -0.010 | 28.336 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | B | 1021 | HOH | 0 | -0.023 | -0.021 | 1.804 | -8.884 | -13.682 | 9.350 | -2.935 | -1.618 | 0.034 |
698 | B | 1022 | HOH | 0 | 0.045 | 0.030 | 33.292 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | B | 1024 | HOH | 0 | -0.017 | -0.012 | 29.105 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | B | 1032 | HOH | 0 | 0.003 | -0.012 | 23.418 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | B | 1034 | HOH | 0 | 0.018 | 0.005 | 24.663 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | B | 1035 | HOH | 0 | 0.019 | 0.022 | 25.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | B | 1040 | HOH | 0 | -0.007 | -0.007 | 26.846 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | B | 1041 | HOH | 0 | 0.007 | 0.004 | 32.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | B | 1042 | HOH | 0 | 0.015 | 0.004 | 59.592 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | B | 1044 | HOH | 0 | -0.025 | -0.024 | 29.545 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | B | 1045 | HOH | 0 | 0.041 | 0.027 | 19.737 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | B | 701 | LJA | 0 | -0.013 | -0.031 | 31.268 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |