FMODB ID: JM9G9
Calculation Name: 6YUN-AB-Xray141
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 6YUN
Chain ID: AB
UniProt ID: P0DTC9
Base Structure: X-ray
Registration Date: 2020-06-22
Reference: Y.Handa, K. Kato, Y. Kawashima, K. Fukuzawa et.al., FMO calculation for SARS Cov-2 related proteins. To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptHSideSolv |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | All crystal waters in PDB. |
Procedure | Manual calculation |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 642 |
LigandCharge | |
Software | ABINIT-MP - Open Ver.1 Rev. 15 / 20190524 |
Total energy (hartree)
FMO2-HF: Electronic energy | -4912296.761312 |
---|---|
FMO2-HF: Nuclear repulsion | 4784883.283175 |
FMO2-HF: Total energy | -127413.478136 |
FMO2-MP2: Total energy | -127779.416242 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:3:LYS )
Summations of interaction energy for
fragment #1(A:3:LYS )
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. |
280.284 | 287.436 | 13.943 | -8.936 | -12.157 | -0.084 |
Interaction energy analysis for fragmet #1(A:3:LYS )
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 5 | ALA | 0 | 0.068 | 0.041 | 3.284 | -8.317 | -6.285 | 0.044 | -0.915 | -1.161 | -0.003 |
4 | A | 6 | ALA | 0 | 0.056 | 0.038 | 5.985 | 2.393 | 2.393 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 7 | GLU | -1 | -0.833 | -0.895 | 1.900 | -96.631 | -99.303 | 9.139 | -2.511 | -3.956 | -0.021 |
6 | A | 8 | ALA | 0 | -0.035 | 0.002 | 2.698 | 4.419 | 5.528 | 0.283 | -0.413 | -0.978 | -0.004 |
7 | A | 9 | SER | 0 | 0.010 | -0.003 | 3.996 | 9.397 | 9.520 | 0.006 | -0.031 | -0.097 | 0.000 |
8 | A | 10 | LYS | 1 | 0.873 | 0.930 | 6.167 | 78.246 | 78.246 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | LYS | 1 | 0.822 | 0.944 | 4.991 | 77.541 | 77.541 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | PRO | 0 | 0.070 | 0.045 | 9.034 | 1.306 | 1.306 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | ARG | 1 | 0.852 | 0.914 | 11.601 | 29.842 | 29.842 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | GLN | 0 | 0.052 | 0.010 | 12.586 | -2.124 | -2.124 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | LYS | 1 | 0.759 | 0.871 | 10.327 | 37.494 | 37.494 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | ARG | 1 | 0.779 | 0.911 | 8.020 | 42.141 | 42.141 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | THR | 0 | -0.029 | -0.012 | 5.749 | 6.812 | 6.812 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | ALA | 0 | 0.075 | 0.056 | 6.074 | -8.404 | -8.404 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | THR | 0 | -0.079 | -0.027 | 4.212 | -0.240 | -0.150 | -0.001 | -0.011 | -0.077 | 0.000 |
18 | A | 20 | LYS | 1 | 0.998 | 0.994 | 7.194 | 46.680 | 46.680 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | ALA | 0 | -0.032 | 0.002 | 4.583 | 2.691 | 2.758 | -0.001 | -0.013 | -0.053 | 0.000 |
20 | A | 22 | TYR | 0 | -0.052 | -0.038 | 5.756 | -1.036 | -1.036 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | ASN | 0 | 0.019 | 0.031 | 7.584 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | VAL | 0 | 0.066 | 0.021 | 10.774 | -0.810 | -0.810 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | THR | 0 | 0.050 | 0.055 | 13.040 | 1.707 | 1.707 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | GLN | 0 | 0.016 | 0.027 | 10.220 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | ALA | 0 | -0.012 | 0.008 | 9.299 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | PHE | 0 | -0.016 | -0.010 | 11.025 | 0.909 | 0.909 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | GLY | 0 | 0.052 | 0.056 | 14.600 | 2.333 | 2.333 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | ARG | 1 | 0.911 | 0.936 | 17.199 | 25.301 | 25.301 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | ARG | 1 | 0.812 | 0.910 | 17.463 | 31.437 | 31.437 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | GLY | 0 | 0.020 | 0.004 | 21.462 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | PRO | 0 | -0.016 | 0.014 | 25.029 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | GLU | -1 | -0.747 | -0.807 | 26.547 | -19.405 | -19.405 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | GLN | 0 | 0.101 | 0.078 | 26.638 | -0.418 | -0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | THR | 0 | 0.012 | 0.013 | 23.993 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | GLN | 0 | 0.012 | 0.032 | 22.206 | -0.630 | -0.630 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | GLY | 0 | 0.008 | 0.012 | 20.090 | 0.591 | 0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | ASN | 0 | 0.018 | 0.006 | 21.163 | -0.730 | -0.730 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | PHE | 0 | -0.007 | 0.000 | 19.076 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | GLY | 0 | -0.019 | -0.032 | 19.235 | -1.852 | -1.852 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | ASP | -1 | -0.688 | -0.801 | 20.158 | -26.708 | -26.708 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | GLN | 0 | 0.090 | 0.046 | 19.260 | -2.081 | -2.081 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | GLU | -1 | -0.770 | -0.801 | 17.250 | -31.091 | -31.091 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | LEU | 0 | -0.003 | -0.004 | 14.685 | -2.487 | -2.487 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | ILE | 0 | -0.033 | -0.003 | 14.486 | -3.210 | -3.210 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | ARG | 1 | 0.904 | 0.947 | 13.816 | 29.440 | 29.440 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | GLN | 0 | -0.007 | -0.010 | 11.358 | -3.815 | -3.815 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | GLY | 0 | 0.036 | 0.027 | 10.227 | -4.314 | -4.314 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | THR | 0 | -0.029 | -0.032 | 8.366 | 0.600 | 0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | ASP | -1 | -0.783 | -0.855 | 7.654 | -63.107 | -63.107 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | TYR | 0 | -0.042 | -0.014 | 10.503 | 2.363 | 2.363 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | LYS | 1 | 0.961 | 0.964 | 14.152 | 32.341 | 32.341 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | HIS | 0 | -0.022 | 0.018 | 16.441 | 1.166 | 1.166 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | TRP | 0 | -0.019 | -0.007 | 13.243 | 0.672 | 0.672 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | PRO | 0 | 0.022 | 0.008 | 15.866 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | GLN | 0 | 0.041 | 0.016 | 17.952 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | ILE | 0 | 0.049 | 0.042 | 18.126 | 0.977 | 0.977 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | ALA | 0 | 0.017 | 0.009 | 16.239 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | GLN | 0 | -0.025 | 0.011 | 18.332 | 0.588 | 0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | PHE | 0 | 0.030 | 0.012 | 21.621 | 0.895 | 0.895 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | ALA | 0 | -0.003 | 0.019 | 18.224 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | PRO | 0 | 0.011 | 0.020 | 20.154 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | SER | 0 | -0.021 | -0.009 | 19.371 | -1.660 | -1.660 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | ALA | 0 | 0.044 | 0.018 | 18.265 | 0.706 | 0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | SER | 0 | -0.013 | -0.027 | 20.166 | 1.251 | 1.251 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | ALA | 0 | 0.056 | 0.024 | 23.412 | 0.987 | 0.987 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | PHE | 0 | -0.019 | 0.002 | 21.578 | 0.661 | 0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | PHE | 0 | 0.069 | 0.029 | 21.211 | 0.633 | 0.633 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | GLY | 0 | -0.015 | 0.025 | 25.633 | 0.930 | 0.930 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | MET | 0 | -0.022 | 0.030 | 25.670 | 0.944 | 0.944 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | SER | 0 | 0.024 | 0.027 | 25.785 | 0.476 | 0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | ARG | 1 | 0.786 | 0.907 | 28.556 | 17.467 | 17.467 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | ILE | 0 | -0.027 | -0.025 | 25.669 | -0.645 | -0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | GLY | 0 | 0.066 | 0.049 | 28.704 | 0.905 | 0.905 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | MET | 0 | -0.038 | -0.007 | 26.598 | -0.874 | -0.874 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | GLU | -1 | -0.749 | -0.773 | 28.909 | -18.773 | -18.773 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | VAL | 0 | 0.022 | 0.013 | 29.126 | -0.870 | -0.870 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | THR | 0 | 0.025 | 0.024 | 28.709 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | PRO | 0 | 0.099 | 0.038 | 30.211 | -0.465 | -0.465 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | SER | 0 | -0.026 | 0.017 | 25.681 | -0.609 | -0.609 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | GLY | 0 | 0.050 | 0.033 | 25.381 | -1.235 | -1.235 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | THR | 0 | 0.001 | -0.001 | 25.790 | 1.035 | 1.035 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | TRP | 0 | -0.054 | -0.031 | 21.697 | -1.767 | -1.767 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | LEU | 0 | -0.003 | 0.004 | 22.553 | 0.917 | 0.917 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | THR | 0 | 0.021 | -0.003 | 24.279 | -0.996 | -0.996 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | TYR | 0 | -0.044 | -0.049 | 20.895 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | THR | 0 | 0.000 | 0.017 | 26.543 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | GLY | 0 | 0.078 | 0.030 | 28.416 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | ALA | 0 | 0.010 | 0.023 | 28.948 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | ILE | 0 | -0.046 | -0.005 | 24.549 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | LYS | 1 | 0.861 | 0.949 | 28.659 | 17.076 | 17.076 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | LEU | 0 | 0.017 | 0.010 | 28.159 | -0.497 | -0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | ASP | -1 | -0.758 | -0.844 | 31.128 | -17.048 | -17.048 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | ASP | -1 | -0.795 | -0.848 | 33.267 | -16.373 | -16.373 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | LYS | 1 | 0.895 | 0.936 | 35.772 | 15.770 | 15.770 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | ASP | -1 | -0.735 | -0.807 | 30.228 | -19.848 | -19.848 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | PRO | 0 | 0.055 | 0.042 | 33.521 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | ASN | 0 | -0.032 | -0.011 | 29.103 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | PHE | 0 | -0.020 | 0.010 | 30.277 | -0.513 | -0.513 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | LYS | 1 | 0.905 | 0.957 | 31.359 | 15.878 | 15.878 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | ASP | -1 | -0.738 | -0.806 | 28.475 | -19.509 | -19.509 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | GLN | 0 | -0.013 | -0.004 | 26.602 | -0.438 | -0.438 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | VAL | 0 | 0.010 | 0.008 | 27.281 | -0.586 | -0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | ILE | 0 | -0.020 | 0.011 | 28.182 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | LEU | 0 | -0.025 | -0.004 | 21.575 | -0.568 | -0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | LEU | 0 | -0.030 | -0.030 | 23.336 | -0.896 | -0.896 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | ASN | 0 | 0.025 | 0.005 | 25.444 | -0.721 | -0.721 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | LYS | 1 | 0.789 | 0.923 | 23.203 | 24.068 | 24.068 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | HIS | 0 | 0.029 | 0.020 | 20.042 | -0.700 | -0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | ILE | 0 | 0.004 | 0.024 | 23.545 | -0.727 | -0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | ASP | -1 | -0.687 | -0.786 | 25.323 | -20.157 | -20.157 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | ALA | 0 | 0.010 | 0.027 | 23.755 | 0.618 | 0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | TYR | 0 | 0.015 | -0.002 | 23.389 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | LYS | 1 | 0.823 | 0.927 | 25.094 | 19.733 | 19.733 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | THR | 0 | -0.046 | -0.008 | 27.427 | 0.514 | 0.514 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | PHE | 0 | -0.052 | 0.001 | 22.155 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | PRO | -1 | -0.687 | -0.765 | 24.369 | -25.089 | -25.089 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | -16 | GLY | 1 | 0.844 | 0.913 | 36.077 | 16.961 | 16.961 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | -15 | SER | 0 | 0.063 | 0.008 | 35.113 | -0.606 | -0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | -14 | SER | 0 | 0.026 | -0.005 | 33.107 | -0.552 | -0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | -13 | HIS | 1 | 0.814 | 0.926 | 31.416 | 17.486 | 17.486 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | -12 | HIS | 0 | 0.044 | 0.058 | 29.867 | -1.029 | -1.029 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | -11 | HIS | 0 | -0.011 | 0.003 | 25.067 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | -10 | HIS | 1 | 0.802 | 0.912 | 22.540 | 25.094 | 25.094 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | -9 | HIS | 0 | 0.012 | -0.007 | 18.938 | 1.100 | 1.100 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | -8 | HIS | 0 | 0.037 | 0.041 | 23.280 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | -7 | SER | 0 | 0.027 | -0.004 | 25.401 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | -6 | GLN | 0 | -0.031 | 0.001 | 27.781 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | -5 | ASP | -1 | -0.706 | -0.842 | 29.597 | -17.407 | -17.407 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | -4 | PRO | 0 | -0.043 | -0.017 | 32.376 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | -3 | ASN | 0 | 0.025 | 0.023 | 35.471 | 0.310 | 0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | -2 | SER | 0 | -0.026 | 0.011 | 31.897 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | -1 | SER | 0 | 0.043 | 0.018 | 32.827 | 0.452 | 0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 0 | SER | 0 | -0.014 | -0.004 | 31.378 | -0.811 | -0.811 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 1 | THR | 0 | 0.012 | -0.009 | 26.484 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 2 | LYS | 1 | 0.772 | 0.888 | 27.482 | 20.440 | 20.440 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 3 | LYS | 1 | 0.937 | 0.978 | 25.701 | 22.694 | 22.694 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 4 | SER | 0 | 0.037 | 0.018 | 30.014 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 5 | ALA | 0 | 0.070 | 0.026 | 32.551 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 6 | ALA | 0 | 0.018 | 0.022 | 34.188 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 7 | GLU | -1 | -0.795 | -0.890 | 31.076 | -18.275 | -18.275 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 8 | ALA | 0 | -0.058 | -0.010 | 29.322 | -0.572 | -0.572 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 9 | SER | 0 | -0.025 | -0.014 | 29.835 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 10 | LYS | 1 | 0.883 | 0.933 | 31.365 | 17.891 | 17.891 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 11 | LYS | 1 | 0.892 | 0.971 | 23.087 | 24.639 | 24.639 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 12 | PRO | 0 | 0.066 | 0.041 | 26.526 | 0.588 | 0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 13 | ARG | 1 | 0.833 | 0.900 | 27.409 | 18.364 | 18.364 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 14 | GLN | 0 | 0.067 | 0.019 | 24.102 | 0.507 | 0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 15 | LYS | 1 | 0.785 | 0.894 | 19.075 | 28.232 | 28.232 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 16 | ARG | 1 | 0.858 | 0.965 | 23.946 | 18.756 | 18.756 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 17 | THR | 0 | -0.011 | -0.008 | 23.200 | -1.236 | -1.236 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 18 | ALA | 0 | 0.066 | 0.051 | 25.215 | 0.649 | 0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 19 | THR | 0 | -0.083 | -0.034 | 26.511 | -0.568 | -0.568 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 20 | LYS | 1 | 0.958 | 0.980 | 28.989 | 19.253 | 19.253 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 21 | ALA | 0 | -0.012 | 0.005 | 31.573 | 0.688 | 0.688 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 22 | TYR | 0 | -0.042 | -0.031 | 29.650 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 23 | ASN | 0 | 0.031 | 0.026 | 30.922 | -0.769 | -0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 24 | VAL | 0 | 0.078 | 0.026 | 29.391 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 25 | THR | 0 | 0.027 | 0.024 | 31.773 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 26 | GLN | 0 | -0.008 | 0.020 | 34.309 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 27 | ALA | 0 | -0.018 | 0.016 | 29.723 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 28 | PHE | 0 | -0.024 | -0.010 | 26.403 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 29 | GLY | 0 | 0.062 | 0.054 | 32.051 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 30 | ARG | 1 | 0.895 | 0.929 | 35.023 | 14.131 | 14.131 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 31 | ARG | 1 | 0.786 | 0.899 | 31.075 | 18.371 | 18.371 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 32 | GLY | 0 | 0.014 | 0.012 | 36.444 | 0.503 | 0.503 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 33 | PRO | 0 | 0.019 | 0.028 | 37.446 | -0.497 | -0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 34 | GLU | -1 | -0.828 | -0.856 | 39.429 | -14.544 | -14.544 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 35 | GLN | 0 | 0.059 | 0.003 | 34.532 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 36 | THR | 0 | 0.008 | 0.012 | 34.678 | -0.566 | -0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 37 | GLN | 0 | 0.015 | 0.039 | 35.077 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 38 | GLY | 0 | 0.023 | 0.024 | 32.086 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 39 | ASN | 0 | 0.009 | -0.006 | 31.828 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 40 | PHE | 0 | -0.009 | -0.002 | 26.759 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 41 | GLY | 0 | -0.022 | -0.030 | 31.036 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 42 | ASP | -1 | -0.693 | -0.812 | 31.764 | -17.484 | -17.484 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 43 | GLN | 0 | 0.021 | 0.017 | 34.187 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 44 | GLU | -1 | -0.787 | -0.880 | 32.977 | -18.167 | -18.167 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 45 | LEU | 0 | -0.007 | -0.005 | 27.373 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 46 | ILE | 0 | -0.029 | -0.002 | 30.862 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 47 | ARG | 1 | 0.873 | 0.940 | 33.136 | 15.612 | 15.612 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 48 | GLN | 0 | 0.041 | 0.033 | 30.593 | -0.518 | -0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 49 | GLY | 0 | 0.044 | 0.036 | 28.299 | -0.528 | -0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 50 | THR | 0 | -0.007 | -0.027 | 22.835 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 51 | ASP | -1 | -0.771 | -0.863 | 24.820 | -22.228 | -22.228 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 52 | TYR | 0 | -0.026 | 0.000 | 26.865 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 53 | LYS | 1 | 0.964 | 0.984 | 26.471 | 17.462 | 17.462 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 54 | HIS | 0 | -0.008 | 0.004 | 25.399 | -0.600 | -0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 55 | TRP | 0 | -0.003 | 0.011 | 20.969 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 56 | PRO | 0 | 0.009 | 0.005 | 18.902 | -0.690 | -0.690 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 57 | GLN | 0 | 0.061 | 0.051 | 19.373 | -0.702 | -0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 58 | ILE | 0 | 0.041 | 0.038 | 21.635 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 59 | ALA | 0 | 0.013 | 0.002 | 18.654 | -0.648 | -0.648 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 60 | GLN | 0 | -0.045 | 0.016 | 16.235 | -3.038 | -3.038 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 61 | PHE | 0 | 0.003 | -0.003 | 16.443 | -1.756 | -1.756 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 62 | ALA | 0 | 0.005 | 0.026 | 18.292 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 63 | PRO | 0 | 0.028 | 0.030 | 15.628 | -2.144 | -2.144 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 64 | SER | 0 | -0.032 | -0.009 | 11.054 | 2.070 | 2.070 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 65 | ALA | 0 | 0.049 | 0.026 | 13.814 | 1.458 | 1.458 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 66 | SER | 0 | -0.032 | -0.033 | 10.857 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 67 | ALA | 0 | 0.066 | 0.028 | 12.700 | 1.513 | 1.513 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 68 | PHE | 0 | -0.034 | 0.000 | 14.063 | 1.882 | 1.882 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 69 | PHE | 0 | 0.089 | 0.036 | 16.627 | 1.325 | 1.325 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 70 | GLY | 0 | -0.008 | 0.032 | 15.105 | 0.846 | 0.846 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 71 | MET | 0 | -0.020 | 0.028 | 15.723 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 72 | SER | 0 | 0.031 | 0.045 | 18.162 | 1.479 | 1.479 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 73 | ARG | 1 | 0.782 | 0.900 | 21.371 | 21.443 | 21.443 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 74 | ILE | 0 | -0.021 | -0.029 | 21.667 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 75 | GLY | 0 | 0.070 | 0.046 | 25.118 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 76 | MET | 0 | -0.038 | 0.001 | 28.494 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 77 | GLU | -1 | -0.855 | -0.896 | 30.852 | -17.280 | -17.280 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 78 | VAL | 0 | -0.006 | -0.006 | 34.305 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 79 | THR | 0 | 0.011 | 0.007 | 36.969 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 80 | PRO | 0 | 0.070 | 0.020 | 39.607 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 81 | SER | 0 | -0.031 | 0.009 | 38.544 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 82 | GLY | 0 | 0.039 | 0.016 | 37.180 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 83 | THR | 0 | 0.006 | -0.001 | 32.508 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 84 | TRP | 0 | -0.053 | -0.035 | 31.655 | -0.676 | -0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 85 | LEU | 0 | 0.019 | 0.023 | 24.000 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 86 | THR | 0 | 0.009 | -0.008 | 28.097 | -0.546 | -0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 87 | TYR | 0 | -0.057 | -0.053 | 23.827 | -0.781 | -0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 88 | THR | 0 | 0.019 | 0.023 | 25.300 | 0.642 | 0.642 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 89 | GLY | 0 | 0.058 | 0.026 | 22.962 | -0.832 | -0.832 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 90 | ALA | 0 | 0.019 | 0.015 | 22.634 | 0.854 | 0.854 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 91 | ILE | 0 | -0.065 | -0.019 | 18.527 | -1.411 | -1.411 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 92 | LYS | 1 | 0.880 | 0.973 | 20.086 | 28.933 | 28.933 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 93 | LEU | 0 | -0.011 | -0.001 | 19.779 | -1.831 | -1.831 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 94 | ASP | -1 | -0.773 | -0.843 | 17.633 | -31.685 | -31.685 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 95 | ASP | -1 | -0.758 | -0.832 | 20.289 | -24.857 | -24.857 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 96 | LYS | 1 | 0.890 | 0.947 | 19.612 | 27.247 | 27.247 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 97 | ASP | -1 | -0.736 | -0.789 | 19.004 | -30.549 | -30.549 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 98 | PRO | 0 | 0.058 | 0.033 | 19.565 | 1.258 | 1.258 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 99 | ASN | 0 | -0.037 | -0.025 | 20.680 | 2.388 | 2.388 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 100 | PHE | 0 | 0.032 | 0.032 | 23.551 | 0.518 | 0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 101 | LYS | 1 | 0.931 | 0.951 | 24.532 | 20.338 | 20.338 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 102 | ASP | -1 | -0.738 | -0.779 | 26.357 | -20.563 | -20.563 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 103 | GLN | 0 | -0.039 | -0.032 | 20.263 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 104 | VAL | 0 | 0.034 | 0.020 | 25.557 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 105 | ILE | 0 | -0.014 | 0.013 | 28.366 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 106 | LEU | 0 | -0.011 | 0.003 | 25.158 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 107 | LEU | 0 | 0.020 | -0.006 | 24.146 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 108 | ASN | 0 | 0.021 | 0.003 | 28.438 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 109 | LYS | 1 | 0.823 | 0.951 | 31.435 | 18.911 | 18.911 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 110 | HIS | 0 | 0.008 | 0.011 | 29.027 | 0.613 | 0.613 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 111 | ILE | 0 | -0.003 | 0.008 | 28.717 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 112 | ASP | -1 | -0.686 | -0.769 | 32.285 | -16.745 | -16.745 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 113 | ALA | 0 | 0.033 | 0.031 | 34.703 | 0.473 | 0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 114 | TYR | 0 | 0.007 | -0.007 | 36.458 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 115 | LYS | 1 | 0.829 | 0.928 | 38.709 | 15.949 | 15.949 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 116 | THR | 0 | -0.032 | -0.013 | 39.634 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 117 | PHE | 0 | -0.086 | -0.018 | 36.420 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 118 | PRO | -1 | -0.819 | -0.869 | 42.450 | -13.260 | -13.260 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 201 | HOH | 0 | 0.034 | 0.034 | 7.895 | -0.342 | -0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 202 | HOH | 0 | -0.033 | -0.035 | 30.757 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 203 | HOH | 0 | -0.029 | -0.033 | 5.161 | 2.197 | 2.197 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 204 | HOH | 0 | 0.002 | 0.001 | 28.843 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 205 | HOH | 0 | -0.031 | -0.033 | 26.541 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 206 | HOH | 0 | -0.037 | -0.039 | 31.701 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 207 | HOH | 0 | -0.002 | -0.017 | 21.374 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 208 | HOH | 0 | -0.024 | -0.017 | 19.294 | -0.298 | -0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 209 | HOH | 0 | 0.024 | -0.008 | 18.294 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 210 | HOH | 0 | 0.006 | -0.004 | 4.394 | -2.984 | -2.900 | 0.000 | -0.023 | -0.061 | 0.000 |
262 | A | 211 | HOH | 0 | -0.060 | -0.044 | 23.097 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 212 | HOH | 0 | -0.030 | -0.036 | 16.043 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 213 | HOH | 0 | -0.007 | -0.006 | 8.434 | -0.916 | -0.916 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 214 | HOH | 0 | -0.021 | -0.013 | 30.302 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 215 | HOH | 0 | -0.028 | -0.040 | 30.469 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 216 | HOH | 0 | -0.025 | -0.027 | 29.385 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 217 | HOH | 0 | 0.008 | -0.001 | 26.456 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 218 | HOH | 0 | -0.013 | -0.014 | 10.112 | 2.018 | 2.018 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 219 | HOH | 0 | 0.025 | 0.015 | 16.681 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 220 | HOH | 0 | 0.022 | 0.017 | 8.907 | 2.035 | 2.035 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 221 | HOH | 0 | -0.010 | -0.020 | 29.378 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 222 | HOH | 0 | 0.004 | -0.023 | 29.029 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 223 | HOH | 0 | -0.017 | -0.026 | 32.220 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 224 | HOH | 0 | -0.049 | -0.045 | 20.061 | -0.650 | -0.650 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 225 | HOH | 0 | -0.019 | -0.017 | 28.847 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 226 | HOH | 0 | -0.003 | -0.004 | 2.852 | -7.020 | -5.084 | 0.166 | -1.114 | -0.988 | -0.011 |
278 | A | 227 | HOH | 0 | -0.004 | -0.006 | 11.707 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 228 | HOH | 0 | -0.001 | -0.004 | 26.150 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 229 | HOH | 0 | -0.027 | -0.033 | 36.559 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 230 | HOH | 0 | -0.016 | -0.023 | 33.545 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 231 | HOH | 0 | 0.016 | -0.003 | 31.356 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 232 | HOH | 0 | -0.019 | -0.023 | 34.804 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 233 | HOH | 0 | 0.008 | -0.003 | 17.192 | -0.884 | -0.884 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 234 | HOH | 0 | 0.010 | -0.023 | 28.084 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 235 | HOH | 0 | -0.020 | -0.028 | 30.573 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 236 | HOH | 0 | -0.013 | -0.021 | 31.924 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 237 | HOH | 0 | -0.040 | -0.034 | 24.004 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 238 | HOH | 0 | -0.029 | -0.027 | 9.319 | -0.983 | -0.983 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 239 | HOH | 0 | -0.037 | -0.042 | 29.077 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 240 | HOH | 0 | -0.001 | -0.007 | 20.965 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 241 | HOH | 0 | 0.005 | -0.008 | 17.955 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 242 | HOH | 0 | -0.008 | -0.002 | 11.719 | 1.701 | 1.701 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 243 | HOH | 0 | -0.007 | -0.016 | 25.870 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 244 | HOH | 0 | 0.034 | 0.008 | 2.457 | -22.680 | -20.994 | 2.991 | -2.136 | -2.541 | -0.027 |
296 | A | 245 | HOH | 0 | -0.017 | -0.016 | 29.651 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 246 | HOH | 0 | 0.005 | 0.011 | 12.390 | 0.919 | 0.919 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 247 | HOH | 0 | 0.003 | -0.008 | 32.612 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 248 | HOH | 0 | 0.007 | 0.008 | 11.016 | -0.678 | -0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 249 | HOH | 0 | -0.030 | -0.027 | 35.761 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 250 | HOH | 0 | 0.003 | 0.003 | 25.323 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 251 | HOH | 0 | -0.026 | -0.033 | 29.313 | 0.304 | 0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 252 | HOH | 0 | -0.020 | -0.028 | 20.168 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 253 | HOH | 0 | 0.003 | -0.006 | 22.156 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 254 | HOH | 0 | -0.036 | -0.032 | 28.545 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 255 | HOH | 0 | -0.005 | 0.000 | 23.029 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 256 | HOH | 0 | -0.014 | -0.019 | 28.922 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 257 | HOH | 0 | -0.014 | -0.010 | 23.786 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 258 | HOH | 0 | 0.010 | 0.000 | 32.342 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 259 | HOH | 0 | -0.027 | -0.027 | 18.132 | -0.754 | -0.754 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 260 | HOH | 0 | -0.003 | -0.021 | 20.950 | -0.583 | -0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 261 | HOH | 0 | 0.011 | 0.003 | 19.442 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 262 | HOH | 0 | -0.001 | -0.009 | 27.968 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 263 | HOH | 0 | 0.024 | 0.007 | 6.929 | -2.164 | -2.164 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 264 | HOH | 0 | 0.003 | 0.005 | 11.102 | -1.120 | -1.120 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 265 | HOH | 0 | 0.004 | -0.002 | 19.178 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 266 | HOH | 0 | 0.001 | -0.002 | 17.036 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 267 | HOH | 0 | -0.057 | -0.047 | 29.039 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 268 | HOH | 0 | -0.021 | -0.025 | 22.442 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 269 | HOH | 0 | -0.036 | -0.041 | 30.439 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 270 | HOH | 0 | -0.044 | -0.042 | 17.240 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 271 | HOH | 0 | -0.023 | -0.011 | 31.979 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 272 | HOH | 0 | 0.009 | 0.000 | 37.785 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 273 | HOH | 0 | -0.013 | -0.035 | 17.781 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 274 | HOH | 0 | -0.020 | -0.022 | 22.963 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 275 | HOH | 0 | -0.023 | -0.022 | 29.179 | 0.325 | 0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 276 | HOH | 0 | 0.003 | 0.000 | 34.048 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 277 | HOH | 0 | -0.032 | -0.026 | 2.818 | 5.612 | 6.321 | 0.077 | -0.373 | -0.413 | -0.002 |
329 | A | 278 | HOH | 0 | -0.017 | -0.027 | 2.971 | -1.451 | -1.046 | 0.032 | -0.174 | -0.263 | -0.001 |
330 | A | 279 | HOH | 0 | -0.008 | -0.006 | 31.244 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 280 | HOH | 0 | -0.041 | -0.031 | 30.849 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 281 | HOH | 0 | -0.001 | -0.007 | 17.621 | 0.834 | 0.834 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 282 | HOH | 0 | 0.047 | 0.031 | 30.362 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 283 | HOH | 0 | -0.014 | -0.012 | 29.134 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 284 | HOH | 0 | -0.022 | -0.013 | 24.262 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 285 | HOH | 0 | -0.011 | -0.018 | 28.565 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 286 | HOH | 0 | -0.004 | -0.008 | 20.881 | -0.578 | -0.578 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 287 | HOH | 0 | -0.034 | -0.032 | 8.694 | 0.542 | 0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 288 | HOH | 0 | -0.016 | -0.024 | 29.458 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 289 | HOH | 0 | 0.001 | 0.005 | 12.785 | -1.252 | -1.252 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 290 | HOH | 0 | -0.001 | -0.005 | 4.778 | 3.081 | 3.098 | -0.001 | 0.000 | -0.017 | 0.000 |
342 | A | 291 | HOH | 0 | -0.011 | -0.011 | 27.514 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 292 | HOH | 0 | -0.017 | -0.025 | 22.075 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 293 | HOH | 0 | -0.015 | -0.018 | 21.533 | -0.427 | -0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 294 | HOH | 0 | 0.012 | 0.001 | 12.026 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 295 | HOH | 0 | 0.011 | 0.012 | 18.717 | 0.521 | 0.521 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 296 | HOH | 0 | -0.020 | -0.013 | 30.352 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 297 | HOH | 0 | 0.001 | -0.008 | 25.206 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 298 | HOH | 0 | 0.005 | -0.001 | 26.152 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 299 | HOH | 0 | 0.004 | -0.001 | 34.073 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 300 | HOH | 0 | 0.009 | -0.003 | 31.885 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 301 | HOH | 0 | -0.031 | -0.013 | 29.580 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 302 | HOH | 0 | 0.004 | -0.003 | 20.086 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 303 | HOH | 0 | -0.019 | -0.025 | 9.551 | 1.807 | 1.807 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 304 | HOH | 0 | 0.014 | 0.009 | 16.868 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 305 | HOH | 0 | 0.008 | 0.008 | 19.767 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 306 | HOH | 0 | 0.004 | 0.002 | 14.276 | 0.814 | 0.814 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 307 | HOH | 0 | 0.010 | 0.000 | 23.983 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 308 | HOH | 0 | 0.004 | -0.008 | 30.387 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 309 | HOH | 0 | -0.006 | -0.011 | 15.440 | -1.120 | -1.120 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 310 | HOH | 0 | -0.011 | -0.008 | 35.331 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 311 | HOH | 0 | -0.011 | -0.017 | 13.153 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 312 | HOH | 0 | 0.003 | -0.002 | 33.932 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 313 | HOH | 0 | -0.018 | -0.035 | 32.217 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 314 | HOH | 0 | -0.031 | -0.022 | 14.217 | 0.506 | 0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 315 | HOH | 0 | 0.006 | -0.002 | 32.907 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 316 | HOH | 0 | -0.016 | -0.008 | 26.513 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 317 | HOH | 0 | -0.012 | -0.014 | 30.190 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 318 | HOH | 0 | -0.023 | -0.021 | 20.713 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 319 | HOH | 0 | 0.026 | 0.018 | 27.321 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 320 | HOH | 0 | -0.036 | -0.032 | 20.528 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 321 | HOH | 0 | 0.001 | 0.000 | 10.979 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 322 | HOH | 0 | 0.017 | 0.014 | 29.071 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 323 | HOH | 0 | 0.007 | -0.001 | 36.280 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 324 | HOH | 0 | -0.005 | -0.009 | 24.992 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 325 | HOH | 0 | 0.004 | -0.008 | 7.733 | -2.474 | -2.474 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 326 | HOH | 0 | -0.007 | -0.006 | 27.406 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 327 | HOH | 0 | 0.020 | 0.010 | 15.801 | -1.042 | -1.042 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 328 | HOH | 0 | -0.022 | -0.020 | 31.634 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 329 | HOH | 0 | -0.024 | -0.020 | 31.734 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 330 | HOH | 0 | 0.028 | 0.009 | 7.280 | -3.419 | -3.419 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 331 | HOH | 0 | -0.018 | -0.022 | 5.574 | -1.956 | -1.956 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 332 | HOH | 0 | -0.014 | -0.015 | 34.740 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 333 | HOH | 0 | 0.002 | -0.002 | 27.122 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 334 | HOH | 0 | 0.007 | -0.003 | 24.853 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 335 | HOH | 0 | 0.048 | 0.032 | 26.212 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 336 | HOH | 0 | -0.001 | -0.013 | 32.220 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 337 | HOH | 0 | -0.016 | -0.012 | 30.646 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 338 | HOH | 0 | -0.026 | -0.021 | 32.447 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 339 | HOH | 0 | -0.028 | -0.027 | 11.072 | 1.046 | 1.046 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 340 | HOH | 0 | 0.004 | 0.000 | 33.751 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 341 | HOH | 0 | 0.019 | -0.004 | 32.745 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 342 | HOH | 0 | 0.055 | 0.040 | 14.047 | -0.827 | -0.827 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 343 | HOH | 0 | -0.038 | -0.035 | 26.164 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 344 | HOH | 0 | -0.003 | -0.014 | 14.430 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 345 | HOH | 0 | 0.044 | 0.032 | 26.132 | -0.423 | -0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 346 | HOH | 0 | -0.021 | -0.013 | 21.017 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 347 | HOH | 0 | 0.005 | -0.001 | 17.348 | -0.470 | -0.470 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 348 | HOH | 0 | -0.004 | -0.005 | 29.600 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 349 | HOH | 0 | 0.012 | 0.007 | 30.314 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 350 | HOH | 0 | 0.013 | -0.001 | 24.905 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 351 | HOH | 0 | 0.040 | 0.024 | 15.282 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 352 | HOH | 0 | -0.007 | -0.010 | 15.462 | 0.573 | 0.573 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 353 | HOH | 0 | -0.023 | -0.024 | 30.135 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 354 | HOH | 0 | -0.049 | -0.032 | 32.390 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 355 | HOH | 0 | 0.025 | 0.018 | 23.245 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 356 | HOH | 0 | -0.009 | -0.003 | 18.547 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 357 | HOH | 0 | -0.005 | -0.010 | 15.943 | 0.408 | 0.408 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 358 | HOH | 0 | 0.012 | 0.017 | 23.366 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 359 | HOH | 0 | -0.024 | -0.020 | 32.033 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 360 | HOH | 0 | 0.016 | 0.002 | 36.576 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 361 | HOH | 0 | -0.012 | -0.017 | 7.981 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 362 | HOH | 0 | -0.033 | -0.029 | 16.212 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 363 | HOH | 0 | 0.003 | 0.001 | 20.013 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 364 | HOH | 0 | 0.005 | -0.004 | 2.421 | -7.944 | -6.424 | 1.209 | -1.220 | -1.509 | -0.015 |
416 | A | 365 | HOH | 0 | -0.016 | -0.002 | 19.959 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 366 | HOH | 0 | 0.042 | 0.035 | 23.299 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 367 | HOH | 0 | 0.003 | 0.003 | 14.126 | 0.918 | 0.918 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 368 | HOH | 0 | 0.004 | 0.000 | 6.564 | 2.097 | 2.097 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 369 | HOH | 0 | -0.005 | -0.015 | 20.776 | -0.615 | -0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 370 | HOH | 0 | -0.014 | -0.010 | 31.955 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 371 | HOH | 0 | -0.038 | -0.028 | 30.670 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 372 | HOH | 0 | 0.003 | -0.001 | 19.149 | 0.654 | 0.654 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 373 | HOH | 0 | -0.033 | -0.028 | 34.041 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 374 | HOH | 0 | 0.026 | 0.017 | 11.100 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 375 | HOH | 0 | -0.015 | -0.017 | 23.342 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 376 | HOH | 0 | -0.031 | -0.027 | 8.282 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 377 | HOH | 0 | -0.005 | -0.009 | 32.600 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 378 | HOH | 0 | 0.026 | 0.014 | 28.459 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 379 | HOH | 0 | -0.050 | -0.043 | 24.829 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 380 | HOH | 0 | -0.018 | -0.023 | 15.206 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 381 | HOH | 0 | -0.046 | -0.030 | 28.270 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 382 | HOH | 0 | -0.006 | -0.003 | 21.025 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 383 | HOH | 0 | 0.031 | 0.024 | 14.489 | 0.916 | 0.916 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 384 | HOH | 0 | 0.014 | 0.009 | 24.199 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 385 | HOH | 0 | -0.038 | -0.037 | 35.052 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 386 | HOH | 0 | 0.018 | 0.003 | 12.713 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 387 | HOH | 0 | 0.001 | 0.001 | 32.445 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 388 | HOH | 0 | 0.009 | 0.007 | 18.947 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 389 | HOH | 0 | 0.009 | -0.001 | 28.015 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 390 | HOH | 0 | -0.029 | -0.013 | 19.816 | -0.726 | -0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 391 | HOH | 0 | 0.045 | 0.032 | 33.418 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 392 | HOH | 0 | -0.028 | -0.018 | 26.280 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 393 | HOH | 0 | -0.001 | -0.004 | 19.948 | 0.399 | 0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 394 | HOH | 0 | 0.019 | 0.021 | 30.934 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 395 | HOH | 0 | -0.043 | -0.038 | 16.655 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 396 | HOH | 0 | -0.028 | -0.025 | 24.697 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 397 | HOH | 0 | 0.008 | 0.004 | 28.516 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 398 | HOH | 0 | -0.027 | -0.019 | 4.653 | -2.888 | -2.842 | -0.001 | -0.002 | -0.043 | 0.000 |
450 | A | 399 | HOH | 0 | 0.007 | 0.001 | 34.651 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 400 | HOH | 0 | 0.022 | 0.009 | 9.801 | -0.976 | -0.976 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 401 | HOH | 0 | -0.050 | -0.036 | 23.937 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 402 | HOH | 0 | -0.008 | -0.007 | 17.036 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 403 | HOH | 0 | 0.009 | 0.002 | 9.512 | 1.314 | 1.314 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 404 | HOH | 0 | -0.005 | -0.008 | 31.336 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 405 | HOH | 0 | 0.001 | 0.003 | 34.937 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 201 | HOH | 0 | -0.058 | -0.060 | 31.491 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 202 | HOH | 0 | 0.006 | -0.016 | 26.198 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 203 | HOH | 0 | -0.068 | -0.050 | 44.946 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 204 | HOH | 0 | -0.038 | -0.031 | 22.164 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 205 | HOH | 0 | -0.061 | -0.053 | 25.322 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 206 | HOH | 0 | -0.013 | -0.014 | 26.719 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 207 | HOH | 0 | 0.018 | 0.005 | 32.767 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 208 | HOH | 0 | -0.003 | -0.010 | 37.639 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 209 | HOH | 0 | -0.050 | -0.046 | 35.754 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 210 | HOH | 0 | -0.016 | -0.021 | 27.818 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 211 | HOH | 0 | -0.030 | -0.032 | 35.146 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 212 | HOH | 0 | -0.047 | -0.042 | 37.850 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 213 | HOH | 0 | 0.000 | -0.012 | 16.995 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 214 | HOH | 0 | -0.025 | -0.017 | 34.627 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 215 | HOH | 0 | -0.037 | -0.032 | 31.069 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 216 | HOH | 0 | -0.011 | -0.015 | 37.479 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 217 | HOH | 0 | 0.008 | 0.003 | 31.258 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 218 | HOH | 0 | 0.019 | 0.021 | 35.801 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 219 | HOH | 0 | -0.015 | -0.014 | 26.618 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 220 | HOH | 0 | 0.049 | 0.038 | 37.419 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 221 | HOH | 0 | 0.003 | -0.013 | 28.981 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 222 | HOH | 0 | -0.008 | -0.013 | 36.756 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 223 | HOH | 0 | -0.016 | -0.009 | 33.227 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 224 | HOH | 0 | 0.023 | 0.007 | 20.549 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 225 | HOH | 0 | 0.019 | 0.010 | 37.382 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 226 | HOH | 0 | 0.004 | -0.025 | 36.896 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 227 | HOH | 0 | 0.004 | 0.012 | 34.935 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 228 | HOH | 0 | 0.008 | 0.003 | 29.614 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 229 | HOH | 0 | 0.003 | -0.016 | 32.515 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 230 | HOH | 0 | -0.051 | -0.048 | 16.815 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 231 | HOH | 0 | -0.007 | -0.017 | 22.135 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 232 | HOH | 0 | -0.020 | -0.025 | 25.883 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 233 | HOH | 0 | -0.007 | -0.015 | 30.514 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 234 | HOH | 0 | -0.026 | -0.019 | 35.557 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 235 | HOH | 0 | -0.046 | -0.043 | 34.989 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 236 | HOH | 0 | 0.008 | 0.003 | 25.152 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 237 | HOH | 0 | -0.025 | -0.011 | 38.841 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 238 | HOH | 0 | -0.031 | -0.037 | 19.472 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 239 | HOH | 0 | 0.011 | -0.007 | 30.390 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 240 | HOH | 0 | -0.036 | -0.030 | 28.782 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 241 | HOH | 0 | -0.030 | -0.033 | 21.163 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 242 | HOH | 0 | 0.017 | 0.003 | 35.749 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 243 | HOH | 0 | -0.042 | -0.033 | 26.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 244 | HOH | 0 | 0.008 | 0.007 | 12.582 | -1.597 | -1.597 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 245 | HOH | 0 | 0.001 | -0.016 | 35.323 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 246 | HOH | 0 | 0.006 | 0.002 | 28.666 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 247 | HOH | 0 | -0.031 | -0.038 | 27.462 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 248 | HOH | 0 | -0.009 | 0.002 | 22.972 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 249 | HOH | 0 | -0.038 | -0.031 | 31.660 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 250 | HOH | 0 | 0.011 | 0.013 | 25.552 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 251 | HOH | 0 | 0.018 | 0.008 | 32.873 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 252 | HOH | 0 | -0.022 | -0.023 | 16.322 | -0.828 | -0.828 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 253 | HOH | 0 | -0.035 | -0.037 | 23.930 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 254 | HOH | 0 | -0.043 | -0.039 | 18.759 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 255 | HOH | 0 | 0.016 | 0.003 | 33.075 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 256 | HOH | 0 | 0.033 | 0.014 | 34.963 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 257 | HOH | 0 | -0.043 | -0.041 | 17.977 | 0.444 | 0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 258 | HOH | 0 | -0.018 | -0.012 | 26.292 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 259 | HOH | 0 | -0.037 | -0.028 | 23.487 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 260 | HOH | 0 | 0.007 | -0.003 | 17.192 | 0.564 | 0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 261 | HOH | 0 | -0.033 | -0.027 | 31.375 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 262 | HOH | 0 | -0.001 | -0.005 | 34.228 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 263 | HOH | 0 | 0.010 | -0.009 | 19.158 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 264 | HOH | 0 | 0.007 | 0.012 | 29.234 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 265 | HOH | 0 | 0.020 | -0.005 | 34.020 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 266 | HOH | 0 | -0.025 | -0.022 | 34.255 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 267 | HOH | 0 | -0.031 | -0.023 | 25.930 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 268 | HOH | 0 | 0.024 | 0.002 | 41.091 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 269 | HOH | 0 | 0.007 | 0.002 | 35.509 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 270 | HOH | 0 | -0.017 | -0.007 | 27.096 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 271 | HOH | 0 | -0.045 | -0.031 | 34.979 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 272 | HOH | 0 | -0.014 | -0.015 | 37.602 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 273 | HOH | 0 | -0.071 | -0.054 | 38.778 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 274 | HOH | 0 | -0.040 | -0.038 | 42.515 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 275 | HOH | 0 | 0.050 | 0.029 | 42.181 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 276 | HOH | 0 | 0.028 | 0.014 | 22.807 | -0.585 | -0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 277 | HOH | 0 | -0.046 | -0.045 | 17.625 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 278 | HOH | 0 | -0.017 | -0.030 | 22.457 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 279 | HOH | 0 | -0.014 | -0.021 | 16.877 | -0.939 | -0.939 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 280 | HOH | 0 | 0.055 | 0.035 | 32.665 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 281 | HOH | 0 | 0.016 | 0.009 | 32.487 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 282 | HOH | 0 | 0.001 | -0.012 | 19.095 | 0.540 | 0.540 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 283 | HOH | 0 | -0.014 | -0.011 | 35.852 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 284 | HOH | 0 | 0.013 | 0.010 | 22.014 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 285 | HOH | 0 | -0.016 | -0.018 | 45.488 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 286 | HOH | 0 | -0.026 | -0.028 | 28.391 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 287 | HOH | 0 | -0.002 | 0.006 | 29.927 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 288 | HOH | 0 | 0.011 | -0.001 | 30.575 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 289 | HOH | 0 | 0.047 | 0.038 | 32.678 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 290 | HOH | 0 | 0.030 | 0.018 | 30.833 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 291 | HOH | 0 | -0.034 | -0.026 | 32.230 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 292 | HOH | 0 | -0.027 | -0.018 | 35.388 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 293 | HOH | 0 | 0.037 | 0.023 | 28.034 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 294 | HOH | 0 | 0.044 | 0.022 | 36.626 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 295 | HOH | 0 | -0.022 | -0.015 | 26.421 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 296 | HOH | 0 | 0.023 | 0.002 | 40.530 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 297 | HOH | 0 | -0.013 | -0.017 | 31.671 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 298 | HOH | 0 | -0.013 | -0.015 | 14.482 | -1.178 | -1.178 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 299 | HOH | 0 | -0.020 | -0.007 | 34.826 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 300 | HOH | 0 | -0.016 | -0.007 | 14.341 | -0.791 | -0.791 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 301 | HOH | 0 | 0.004 | -0.002 | 37.763 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 302 | HOH | 0 | -0.008 | -0.004 | 16.569 | -0.543 | -0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 303 | HOH | 0 | 0.012 | -0.010 | 34.790 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 304 | HOH | 0 | -0.030 | -0.014 | 21.739 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 305 | HOH | 0 | -0.003 | -0.018 | 18.165 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 306 | HOH | 0 | 0.027 | 0.013 | 12.975 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 307 | HOH | 0 | -0.034 | -0.026 | 28.903 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 308 | HOH | 0 | 0.010 | -0.001 | 16.919 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 309 | HOH | 0 | -0.012 | -0.014 | 21.235 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 310 | HOH | 0 | 0.003 | 0.001 | 18.087 | -0.839 | -0.839 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 311 | HOH | 0 | 0.005 | 0.008 | 35.449 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 312 | HOH | 0 | 0.011 | 0.004 | 31.718 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 313 | HOH | 0 | 0.063 | 0.040 | 39.094 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 314 | HOH | 0 | 0.003 | -0.013 | 37.816 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 315 | HOH | 0 | 0.015 | 0.004 | 36.657 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 316 | HOH | 0 | -0.052 | -0.043 | 43.994 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 317 | HOH | 0 | 0.059 | 0.039 | 39.466 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 318 | HOH | 0 | -0.025 | -0.037 | 20.542 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 319 | HOH | 0 | 0.045 | 0.024 | 37.345 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 320 | HOH | 0 | 0.014 | 0.007 | 34.468 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 321 | HOH | 0 | -0.058 | -0.054 | 41.636 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 322 | HOH | 0 | -0.041 | -0.034 | 30.453 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 323 | HOH | 0 | -0.029 | -0.027 | 10.881 | 0.733 | 0.733 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 324 | HOH | 0 | -0.019 | -0.010 | 33.791 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 325 | HOH | 0 | -0.012 | -0.019 | 23.018 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 326 | HOH | 0 | 0.018 | 0.014 | 24.406 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 327 | HOH | 0 | 0.014 | 0.009 | 27.232 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 328 | HOH | 0 | -0.011 | -0.007 | 28.185 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 329 | HOH | 0 | -0.001 | -0.001 | 18.078 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | B | 330 | HOH | 0 | -0.011 | -0.013 | 33.692 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | B | 331 | HOH | 0 | -0.013 | -0.016 | 35.959 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | B | 332 | HOH | 0 | -0.054 | -0.045 | 28.388 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | B | 333 | HOH | 0 | 0.030 | 0.018 | 28.932 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | B | 334 | HOH | 0 | 0.047 | 0.037 | 38.363 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | B | 335 | HOH | 0 | 0.031 | 0.022 | 33.605 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | B | 336 | HOH | 0 | -0.022 | -0.014 | 26.272 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | B | 337 | HOH | 0 | -0.040 | -0.029 | 44.823 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | B | 338 | HOH | 0 | -0.003 | -0.006 | 34.273 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | B | 339 | HOH | 0 | -0.023 | -0.025 | 28.814 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | B | 340 | HOH | 0 | 0.026 | 0.014 | 46.692 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | B | 341 | HOH | 0 | -0.024 | -0.028 | 22.066 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | B | 342 | HOH | 0 | 0.019 | 0.003 | 39.734 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | B | 343 | HOH | 0 | 0.014 | 0.005 | 35.764 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | B | 344 | HOH | 0 | -0.018 | -0.013 | 44.515 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | B | 345 | HOH | 0 | -0.046 | -0.039 | 16.172 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | B | 346 | HOH | 0 | -0.001 | -0.001 | 43.986 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | B | 347 | HOH | 0 | -0.025 | -0.012 | 35.794 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | B | 348 | HOH | 0 | 0.010 | 0.004 | 35.885 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | B | 349 | HOH | 0 | -0.023 | -0.021 | 34.732 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | B | 350 | HOH | 0 | 0.008 | 0.005 | 33.693 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | B | 351 | HOH | 0 | 0.017 | 0.012 | 36.202 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | B | 352 | HOH | 0 | -0.022 | -0.020 | 34.011 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | B | 353 | HOH | 0 | 0.015 | 0.004 | 38.580 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | B | 354 | HOH | 0 | -0.006 | -0.009 | 35.928 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | B | 355 | HOH | 0 | 0.036 | 0.009 | 19.395 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | B | 356 | HOH | 0 | 0.008 | -0.003 | 30.078 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | B | 357 | HOH | 0 | -0.018 | -0.019 | 38.686 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | B | 358 | HOH | 0 | 0.042 | 0.028 | 24.364 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | B | 359 | HOH | 0 | 0.014 | 0.004 | 39.979 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | B | 360 | HOH | 0 | -0.005 | -0.010 | 31.101 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | B | 361 | HOH | 0 | -0.013 | -0.027 | 30.213 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | B | 362 | HOH | 0 | -0.005 | -0.003 | 37.938 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | B | 363 | HOH | 0 | -0.001 | -0.009 | 33.423 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | B | 364 | HOH | 0 | -0.005 | -0.005 | 20.734 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | B | 365 | HOH | 0 | -0.010 | -0.016 | 37.837 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | B | 366 | HOH | 0 | -0.013 | -0.018 | 25.325 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | B | 367 | HOH | 0 | 0.007 | -0.002 | 16.398 | -0.564 | -0.564 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | B | 368 | HOH | 0 | -0.029 | -0.024 | 38.431 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | B | 369 | HOH | 0 | 0.009 | 0.012 | 19.986 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | B | 370 | HOH | 0 | -0.020 | -0.014 | 35.815 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | B | 371 | HOH | 0 | 0.025 | 0.013 | 37.454 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | B | 372 | HOH | 0 | 0.032 | 0.027 | 18.339 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | B | 373 | HOH | 0 | 0.049 | 0.028 | 38.574 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | B | 374 | HOH | 0 | -0.011 | -0.011 | 22.282 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | B | 375 | HOH | 0 | -0.015 | -0.016 | 32.682 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | B | 376 | HOH | 0 | -0.021 | -0.024 | 40.098 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | B | 377 | HOH | 0 | 0.009 | 0.001 | 37.705 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | B | 378 | HOH | 0 | 0.028 | 0.018 | 38.079 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | B | 379 | HOH | 0 | -0.028 | -0.024 | 32.611 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | B | 380 | HOH | 0 | 0.050 | 0.033 | 42.255 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | B | 381 | HOH | 0 | 0.027 | 0.013 | 18.159 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | B | 382 | HOH | 0 | 0.008 | 0.005 | 12.030 | 0.372 | 0.372 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | B | 383 | HOH | 0 | -0.019 | -0.020 | 34.908 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | B | 384 | HOH | 0 | 0.000 | 0.000 | 10.832 | 1.741 | 1.741 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | B | 385 | HOH | 0 | 0.031 | 0.016 | 14.056 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | B | 386 | HOH | 0 | 0.011 | 0.006 | 31.916 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 |