data_5jyq_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5jyq _Structure_validation_residue.Date_analyzed 2016-10-13 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 111.575 -0.61 . . . . 32.109999999999999 111.575 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.06 -27.08 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 112.23 0.455 . . . . 33.450000000000003 112.23 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.07 -40.26 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 107.627 -1.249 . . . . 34.619999999999997 107.627 -177.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -86.34 -23.0 26.39 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 113.351 0.871 . . . . 63.200000000000003 113.351 -172.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -126.36 -18.12 4.99 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 121.345 -0.847 . . . . 26.0 113.246 -170.938 -68.214 -81.317 99.012 100.121 2.082 107.838 -146.26 74.511 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' B' ' 6' ' ' ARG . 33.9 t -108.88 -48.06 3.35 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.737 0.698 . . . . 30.879999999999999 112.511 175.418 173.402 68.721 97.732 104.247 2.087 103.866 -78.442 -60.28 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -72.51 -34.98 67.99 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.91 1.232 . . . . 46.229999999999997 111.858 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -112.16 145.19 32.29 Favored Pre-proline 0 C--N 1.304 -1.4 0 C-N-CA 129.453 3.101 . . . . 204.63 107.135 165.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.09 153.3 32.08 Favored 'Trans proline' 0 C--O 1.237 0.433 0 CA-C-N 120.935 1.37 . . . . 31.280000000000001 111.902 172.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -135.79 147.4 48.32 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 122.372 1.082 . . . . 24.699999999999999 111.291 177.113 74.511 -146.26 99.012 107.838 2.082 100.121 -81.317 -68.214 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.2 p -66.98 164.12 18.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.54 -1.209 . . . . 24.789999999999999 111.51 171.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -55.97 -41.95 75.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.391 -0.822 . . . . 26.640000000000001 111.653 170.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.53 79.05 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.584 -0.446 . . . . 25.449999999999999 111.227 -175.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -67.21 -46.35 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.963 -0.461 . . . . 92.140000000000001 111.38 171.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -53.78 -38.99 65.03 Favored 'General case' 0 C--O 1.25 1.114 0 C-N-CA 119.078 -1.049 . . . . 23.93 112.296 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -60.06 -23.34 63.68 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 113.009 0.744 . . . . 32.340000000000003 113.009 -177.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -55.29 -27.01 43.9 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.995 0.369 . . . . 74.400000000000006 111.995 174.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -94.3 3.27 55.44 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.537 1.31 . . . . 32.170000000000002 114.537 -176.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' -1' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 120.845 0.355 . . . . 124.55 110.188 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -71.35 152.26 43.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.587 -0.733 . . . . 56.990000000000002 110.354 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -74.66 83.88 2.09 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.241 1.496 . . . . 37.189999999999998 107.541 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 15.1 p -94.15 158.06 15.78 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 118.758 -1.177 . . . . 39.979999999999997 111.472 -172.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -130.89 146.25 52.26 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.535 0.734 . . . . 130.99000000000001 109.78 175.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -77.04 129.01 35.5 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.065 -1.087 . . . . 33.93 108.065 173.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 40.2 mtt-85 -126.67 107.17 9.93 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 106.278 -1.749 . . . . 39.68 106.278 178.647 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 81.1 m -127.14 151.3 48.84 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.149 0.976 . . . . 32.009999999999998 111.101 -172.027 -60.28 -78.442 97.732 103.866 2.087 104.247 68.721 173.402 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.63 -122.19 25.84 Favored Glycine 0 C--O 1.239 0.422 0 C-N-CA 119.166 -1.493 . . . . 29.109999999999999 111.028 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 81.0 p -78.6 -24.17 45.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.897 0.879 . . . . 43.939999999999998 111.807 -170.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.76 -45.12 78.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 107.648 -1.241 . . . . 41.530000000000001 107.648 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 91.1 m -54.16 -50.64 66.54 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 120.009 -0.676 . . . . 40.229999999999997 110.858 172.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -55.78 -41.2 73.71 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.209 0.528 . . . . 57.420000000000002 111.08 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.5 m -65.99 -45.86 80.09 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.389 -0.924 . . . . 30.100000000000001 111.618 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -51.88 -44.4 63.71 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.483 -0.887 . . . . 75.459999999999994 111.035 172.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 37.1 mmt -65.98 -39.42 90.36 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.295 -0.562 . . . . 68.25 111.458 -177.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -78.79 -33.52 46.2 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 119.528 -0.869 . . . . 89.349999999999994 112.763 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.07 -22.9 12.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 114.808 1.41 . . . . 33.719999999999999 114.808 -168.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.5 m -107.2 -31.9 8.03 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.547 -0.861 . . . . 33.590000000000003 112.1 -175.677 -59.441 nan nan nan nan nan nan nan 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -97.87 135.28 39.84 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.816 0.341 . . . . 88.200000000000003 110.6 -172.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.538 0 C-N-CA 124.742 1.217 . . . . 164.05000000000001 113.174 173.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 111.575 -0.61 . . . . 26.760000000000002 111.575 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.06 -27.08 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 112.23 0.455 . . . . 27.879999999999999 112.23 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.07 -40.26 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 107.627 -1.249 . . . . 28.850000000000001 107.627 -177.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -86.34 -23.0 26.39 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 113.351 0.871 . . . . 52.670000000000002 113.351 -172.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -126.36 -18.12 4.99 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 121.345 -0.847 . . . . 26.0 113.246 -170.938 -68.214 -81.317 99.012 100.121 2.082 107.838 -146.26 74.511 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 6' ' ' ARG . 33.9 t -108.88 -48.06 3.35 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.737 0.698 . . . . 30.879999999999999 112.511 175.418 173.402 68.721 97.732 104.247 2.087 103.866 -78.442 -60.28 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -72.51 -34.98 67.99 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.91 1.232 . . . . 38.530000000000001 111.858 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -112.16 145.19 32.29 Favored Pre-proline 0 C--N 1.304 -1.4 0 C-N-CA 129.453 3.101 . . . . 170.53 107.135 165.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.09 153.3 32.08 Favored 'Trans proline' 0 C--O 1.237 0.433 0 CA-C-N 120.935 1.37 . . . . 26.07 111.902 172.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -135.79 147.4 48.32 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 122.372 1.082 . . . . 23.25 111.291 177.113 74.511 -146.26 99.012 107.838 2.082 100.121 -81.317 -68.214 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.2 p -66.98 164.12 18.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.54 -1.209 . . . . 20.66 111.51 171.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -55.97 -41.95 75.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.391 -0.822 . . . . 22.199999999999999 111.653 170.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.53 79.05 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.584 -0.446 . . . . 21.210000000000001 111.227 -175.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -67.21 -46.35 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.963 -0.461 . . . . 92.140000000000001 111.38 171.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -53.78 -38.99 65.03 Favored 'General case' 0 C--O 1.25 1.114 0 C-N-CA 119.078 -1.049 . . . . 19.949999999999999 112.296 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -60.06 -23.34 63.68 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 113.009 0.744 . . . . 26.949999999999999 113.009 -177.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -55.29 -27.01 43.9 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.995 0.369 . . . . 62.0 111.995 174.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -94.3 3.27 55.44 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.537 1.31 . . . . 31.440000000000001 114.537 -176.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' -1' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 120.845 0.355 . . . . 103.8 110.188 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -71.35 152.26 43.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.587 -0.733 . . . . 47.490000000000002 110.354 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -74.66 83.88 2.09 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.241 1.496 . . . . 33.340000000000003 107.541 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 15.1 p -94.15 158.06 15.78 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 118.758 -1.177 . . . . 33.310000000000002 111.472 -172.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -130.89 146.25 52.26 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.535 0.734 . . . . 109.16 109.78 175.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -77.04 129.01 35.5 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.065 -1.087 . . . . 32.549999999999997 108.065 173.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 40.2 mtt-85 -126.67 107.17 9.93 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 106.278 -1.749 . . . . 33.07 106.278 178.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 81.1 m -127.14 151.3 48.84 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.149 0.976 . . . . 32.009999999999998 111.101 -172.027 -60.28 -78.442 97.732 103.866 2.087 104.247 68.721 173.402 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.63 -122.19 25.84 Favored Glycine 0 C--O 1.239 0.422 0 C-N-CA 119.166 -1.493 . . . . 27.940000000000001 111.028 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 81.0 p -78.6 -24.17 45.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.897 0.879 . . . . 36.619999999999997 111.807 -170.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.76 -45.12 78.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 107.648 -1.241 . . . . 34.609999999999999 107.648 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 91.1 m -54.16 -50.64 66.54 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 120.009 -0.676 . . . . 33.520000000000003 110.858 172.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -55.78 -41.2 73.71 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.209 0.528 . . . . 47.850000000000001 111.08 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.5 m -65.99 -45.86 80.09 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.389 -0.924 . . . . 25.079999999999998 111.618 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -51.88 -44.4 63.71 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.483 -0.887 . . . . 62.890000000000001 111.035 172.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 37.1 mmt -65.98 -39.42 90.36 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.295 -0.562 . . . . 68.25 111.458 -177.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -78.79 -33.52 46.2 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 119.528 -0.869 . . . . 89.349999999999994 112.763 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.07 -22.9 12.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 114.808 1.41 . . . . 28.100000000000001 114.808 -168.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.5 m -107.2 -31.9 8.03 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.547 -0.861 . . . . 33.590000000000003 112.1 -175.677 -59.441 nan nan nan nan nan nan nan 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -97.87 135.28 39.84 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.816 0.341 . . . . 74.329999999999998 110.6 -172.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.538 0 C-N-CA 124.742 1.217 . . . . 136.71000000000001 113.174 173.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 111.575 -0.61 . . . . 26.760000000000002 111.575 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.06 -27.08 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 112.23 0.455 . . . . 27.879999999999999 112.23 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 73.4 t -74.07 -40.26 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 107.627 -1.249 . . . . 28.850000000000001 107.627 -177.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -86.34 -23.0 26.39 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 113.351 0.871 . . . . 52.670000000000002 113.351 -172.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.1 m -126.36 -18.12 4.99 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 121.345 -0.847 . . . . 26.0 113.246 -170.938 -68.214 -81.317 99.012 100.121 2.082 107.838 -146.26 74.511 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' B' ' 6' ' ' ARG . 33.9 t -108.88 -48.06 3.35 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.737 0.698 . . . . 30.879999999999999 112.511 175.418 173.402 68.721 97.732 104.247 2.087 103.866 -78.442 -60.28 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -72.51 -34.98 67.99 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.91 1.232 . . . . 38.530000000000001 111.858 176.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -112.16 145.19 32.29 Favored Pre-proline 0 C--N 1.304 -1.4 0 C-N-CA 129.453 3.101 . . . . 170.53 107.135 165.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.09 153.3 32.08 Favored 'Trans proline' 0 C--O 1.237 0.433 0 CA-C-N 120.935 1.37 . . . . 26.07 111.902 172.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -135.79 147.4 48.32 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 122.372 1.082 . . . . 23.25 111.291 177.113 74.511 -146.26 99.012 107.838 2.082 100.121 -81.317 -68.214 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.2 p -66.98 164.12 18.33 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.54 -1.209 . . . . 20.66 111.51 171.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -55.97 -41.95 75.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.391 -0.822 . . . . 22.199999999999999 111.653 170.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.53 79.05 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.584 -0.446 . . . . 21.210000000000001 111.227 -175.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -67.21 -46.35 74.13 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.963 -0.461 . . . . 92.140000000000001 111.38 171.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -53.78 -38.99 65.03 Favored 'General case' 0 C--O 1.25 1.114 0 C-N-CA 119.078 -1.049 . . . . 19.949999999999999 112.296 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -60.06 -23.34 63.68 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 113.009 0.744 . . . . 26.949999999999999 113.009 -177.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -55.29 -27.01 43.9 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.995 0.369 . . . . 62.0 111.995 174.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -94.3 3.27 55.44 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 114.537 1.31 . . . . 31.440000000000001 114.537 -176.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' -1' ' ' THR . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 120.845 0.355 . . . . 103.8 110.188 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -71.35 152.26 43.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.587 -0.733 . . . . 47.490000000000002 110.354 -176.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -74.66 83.88 2.09 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 123.241 1.496 . . . . 33.340000000000003 107.541 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 15.1 p -94.15 158.06 15.78 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 118.758 -1.177 . . . . 33.310000000000002 111.472 -172.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -130.89 146.25 52.26 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.535 0.734 . . . . 109.16 109.78 175.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -77.04 129.01 35.5 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 108.065 -1.087 . . . . 32.549999999999997 108.065 173.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 40.2 mtt-85 -126.67 107.17 9.93 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 106.278 -1.749 . . . . 33.07 106.278 178.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 81.1 m -127.14 151.3 48.84 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.149 0.976 . . . . 32.009999999999998 111.101 -172.027 -60.28 -78.442 97.732 103.866 2.087 104.247 68.721 173.402 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.63 -122.19 25.84 Favored Glycine 0 C--O 1.239 0.422 0 C-N-CA 119.166 -1.493 . . . . 27.940000000000001 111.028 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 81.0 p -78.6 -24.17 45.57 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.897 0.879 . . . . 36.619999999999997 111.807 -170.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -69.76 -45.12 78.33 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.751 0 N-CA-C 107.648 -1.241 . . . . 34.609999999999999 107.648 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 91.1 m -54.16 -50.64 66.54 Favored 'General case' 0 C--O 1.242 0.682 0 C-N-CA 120.009 -0.676 . . . . 33.520000000000003 110.858 172.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -55.78 -41.2 73.71 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-O 121.209 0.528 . . . . 47.850000000000001 111.08 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 4.5 m -65.99 -45.86 80.09 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 119.389 -0.924 . . . . 25.079999999999998 111.618 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -51.88 -44.4 63.71 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.483 -0.887 . . . . 62.890000000000001 111.035 172.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' MET . . . . . . . . . . . . . 37.1 mmt -65.98 -39.42 90.36 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.295 -0.562 . . . . 68.25 111.458 -177.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -78.79 -33.52 46.2 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 119.528 -0.869 . . . . 89.349999999999994 112.763 -179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.07 -22.9 12.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 114.808 1.41 . . . . 28.100000000000001 114.808 -168.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 85.5 m -107.2 -31.9 8.03 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.547 -0.861 . . . . 33.590000000000003 112.1 -175.677 -59.441 nan nan nan nan nan nan nan 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -97.87 135.28 39.84 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.816 0.341 . . . . 74.329999999999998 110.6 -172.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.538 0 C-N-CA 124.742 1.217 . . . . 136.71000000000001 113.174 173.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_