data_2hi5_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 2hi5 _Structure_validation_residue.Date_analyzed 2016-10-12 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 ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo . . . . . 0 C--O 1.258 1.482 0 N-CA-C 111.322 -0.299 . . . . 10.0 111.322 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.7 67.44 Favored 'General case' 0 C--O 1.258 1.503 0 O-C-N 125.097 1.498 . . . . 10.0 112.625 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.35 -42.56 96.16 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 124.642 1.214 . . . . 10.0 110.457 177.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.14 87.84 Favored 'General case' 0 C--O 1.259 1.556 0 O-C-N 125.066 1.478 . . . . 10.0 111.26 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.2 93.84 Favored 'General case' 0 C--O 1.258 1.537 0 O-C-N 125.3 1.625 . . . . 10.0 110.34 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -31.59 71.14 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 125.456 1.723 . . . . 10.0 112.018 177.681 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.91 -43.35 88.41 Favored 'General case' 0 C--O 1.258 1.521 0 O-C-N 125.091 1.495 . . . . 10.0 111.151 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.6 m -65.17 -39.27 92.7 Favored 'General case' 0 C--O 1.257 1.463 0 O-C-N 125.528 1.768 . . . . 10.0 110.766 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . 0.713 ' CA ' ' OG ' ' A' ' 17' ' ' SER . 48.9 mt -66.38 -35.93 81.57 Favored 'General case' 0 C--O 1.257 1.471 0 O-C-N 125.51 1.756 . . . . 10.0 111.207 179.265 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.42 32.93 0.04 OUTLIER 'General case' 0 C--O 1.256 1.398 0 O-C-N 125.115 1.509 . . . . 10.0 111.55 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -12.24 -40.26 0.0 OUTLIER 'General case' 1 C--N 0.089 -54.202 3 O-C-N 65.48 -35.762 . . . . 10.0 111.165 52.149 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . 0.713 ' OG ' ' CA ' ' A' ' 14' ' ' LEU . 49.4 m -64.47 -38.57 91.47 Favored 'General case' 0 C--O 1.257 1.473 0 O-C-N 124.803 1.315 . . . . 10.0 110.738 177.992 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.0 73.97 Favored 'General case' 0 C--O 1.257 1.459 0 O-C-N 125.764 1.915 . . . . 10.0 110.521 176.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.9 m -69.0 -33.56 73.87 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 124.846 1.341 . . . . 10.0 111.845 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -65.61 -48.21 73.04 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 124.528 1.143 . . . . 10.0 111.82 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.66 -43.97 80.89 Favored 'General case' 0 C--O 1.258 1.525 0 O-C-N 125.298 1.624 . . . . 10.0 110.444 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . 0.518 ' CG2' ' CH2' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -65.48 -32.41 58.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 CA-C-N 113.086 -1.87 . . . . 10.0 112.587 -177.539 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.05 -40.86 93.16 Favored Glycine 0 C--O 1.258 1.63 0 O-C-N 124.29 0.994 . . . . 10.0 111.067 176.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.26 -31.46 72.62 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 113.779 -1.21 . . . . 10.0 110.432 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.59 10.41 0.19 Allowed 'General case' 0 C--O 1.255 1.353 0 O-C-N 124.542 1.151 . . . . 10.0 111.688 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TRP . . . . . 0.518 ' CH2' ' CG2' ' A' ' 22' ' ' ILE . 2.6 m0 -110.78 -39.29 4.89 Favored 'General case' 1 C--N 0.44 -38.954 3 C-N-CA 76.214 -18.195 . . . . 10.0 110.805 -172.755 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.87 -43.56 79.1 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 124.698 1.249 . . . . 10.0 113.648 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.16 -42.16 99.0 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 124.536 1.148 . . . . 10.0 110.137 -176.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.7 t -70.67 -23.1 23.84 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 CA-C-N 112.432 -2.167 . . . . 10.0 111.864 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 t -64.45 -38.56 82.91 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 0 O-C-N 123.704 0.628 . . . . 10.0 111.224 172.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.95 -42.79 77.09 Favored 'Isoleucine or valine' 0 C--O 1.259 1.567 0 O-C-N 124.722 1.264 . . . . 10.0 112.048 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.74 -42.3 89.24 Favored 'Isoleucine or valine' 0 C--O 1.258 1.553 0 O-C-N 125.137 1.523 . . . . 10.0 111.762 -178.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.78 -30.09 40.49 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 O-C-N 124.718 1.262 . . . . 10.0 111.257 177.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.11 -39.97 96.62 Favored Glycine 0 C--O 1.259 1.695 0 O-C-N 124.68 1.237 . . . . 10.0 110.868 175.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 88.39 0.08 Allowed 'General case' 0 C--O 1.255 1.381 0 O-C-N 125.807 1.533 . . . . 10.0 110.82 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 m 140.91 -34.97 0.01 OUTLIER 'General case' 1 C--N 0.124 -52.684 3 O-C-N 60.722 -38.736 . . . . 10.0 112.453 170.35 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.26 -44.0 84.23 Favored 'Isoleucine or valine' 0 C--O 1.257 1.472 0 O-C-N 124.165 0.915 . . . . 10.0 111.976 179.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.48 -50.5 54.86 Favored Glycine 0 C--O 1.255 1.414 0 O-C-N 125.026 1.454 . . . . 10.0 112.501 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.71 -37.55 78.81 Favored 'Isoleucine or valine' 0 C--O 1.259 1.556 0 O-C-N 124.479 0.752 . . . . 10.0 112.004 -176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -67.84 -25.66 65.66 Favored 'General case' 0 C--O 1.257 1.498 0 C-N-CA 119.367 -0.933 . . . . 10.0 110.762 175.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.59 -36.92 79.36 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 125.701 1.875 . . . . 10.0 111.932 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -58.81 -43.31 90.55 Favored 'General case' 0 C--O 1.258 1.533 0 O-C-N 124.56 1.163 . . . . 10.0 110.181 174.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.32 -35.76 81.46 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-N 113.811 -1.541 . . . . 10.0 111.101 177.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.54 -45.23 93.91 Favored 'General case' 0 C--O 1.256 1.405 0 O-C-N 125.634 1.834 . . . . 10.0 110.59 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -56.9 -46.88 81.62 Favored 'General case' 0 C--O 1.26 1.622 0 O-C-N 125.411 1.694 . . . . 10.0 111.32 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -60.01 -43.89 94.92 Favored 'General case' 0 C--O 1.258 1.534 0 O-C-N 125.995 2.059 . . . . 10.0 111.719 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.6 m . . . . . 0 C--O 1.257 1.499 0 O-C-N 124.884 1.365 . . . . 10.0 111.946 179.565 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo . . . . . 0 C--O 1.258 1.482 0 N-CA-C 111.322 -0.299 . . . . 10.0 111.322 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.7 67.44 Favored 'General case' 0 C--O 1.258 1.503 0 O-C-N 125.097 1.498 . . . . 10.0 112.625 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.35 -42.56 96.16 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 124.642 1.214 . . . . 10.0 110.457 177.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.14 87.84 Favored 'General case' 0 C--O 1.259 1.556 0 O-C-N 125.066 1.478 . . . . 10.0 111.26 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.2 93.84 Favored 'General case' 0 C--O 1.258 1.537 0 O-C-N 125.3 1.625 . . . . 10.0 110.34 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -31.59 71.14 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 125.456 1.723 . . . . 10.0 112.018 177.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.91 -43.35 88.41 Favored 'General case' 0 C--O 1.258 1.521 0 O-C-N 125.091 1.495 . . . . 10.0 111.151 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.6 m -65.17 -39.27 92.7 Favored 'General case' 0 C--O 1.257 1.463 0 O-C-N 125.528 1.768 . . . . 10.0 110.766 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 1.008 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 48.9 mt -66.38 -35.93 81.57 Favored 'General case' 0 C--O 1.257 1.471 0 O-C-N 125.51 1.756 . . . . 10.0 111.207 179.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.42 32.93 0.04 OUTLIER 'General case' 0 C--O 1.256 1.398 0 O-C-N 125.115 1.509 . . . . 10.0 111.55 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -12.24 -40.26 0.0 OUTLIER 'General case' 1 C--N 0.089 -54.202 3 O-C-N 65.48 -35.762 . . . . 10.0 111.165 52.149 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . 1.008 ' OG ' ' HA ' ' A' ' 14' ' ' LEU . 49.4 m -64.47 -38.57 91.47 Favored 'General case' 0 C--O 1.257 1.473 0 O-C-N 124.803 1.315 . . . . 10.0 110.738 177.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.0 73.97 Favored 'General case' 0 C--O 1.257 1.459 0 O-C-N 125.764 1.915 . . . . 10.0 110.521 176.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.9 m -69.0 -33.56 73.87 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 124.846 1.341 . . . . 10.0 111.845 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 17' ' ' SER . 40.5 mt-10 -65.61 -48.21 73.04 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 124.528 1.143 . . . . 10.0 111.82 177.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.66 -43.97 80.89 Favored 'General case' 0 C--O 1.258 1.525 0 O-C-N 125.298 1.624 . . . . 10.0 110.444 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . 0.666 HG23 ' CH2' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -65.48 -32.41 58.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 CA-C-N 113.086 -1.87 . . . . 10.0 112.587 -177.539 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . 0.528 ' HA2' ' CE3' ' A' ' 26' ' ' TRP . . . -67.05 -40.86 93.16 Favored Glycine 0 C--O 1.258 1.63 0 O-C-N 124.29 0.994 . . . . 10.0 111.067 176.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.26 -31.46 72.62 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 113.779 -1.21 . . . . 10.0 110.432 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.59 10.41 0.19 Allowed 'General case' 0 C--O 1.255 1.353 0 O-C-N 124.542 1.151 . . . . 10.0 111.688 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TRP . . . . . 0.666 ' CH2' HG23 ' A' ' 22' ' ' ILE . 2.6 m0 -110.78 -39.29 4.89 Favored 'General case' 1 C--N 0.44 -38.954 3 C-N-CA 76.214 -18.195 . . . . 10.0 110.805 -172.755 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . 0.485 ' O ' ' HB ' ' A' ' 30' ' ' VAL . . . -67.87 -43.56 79.1 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 124.698 1.249 . . . . 10.0 113.648 179.172 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.16 -42.16 99.0 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 124.536 1.148 . . . . 10.0 110.137 -176.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.7 t -70.67 -23.1 23.84 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 CA-C-N 112.432 -2.167 . . . . 10.0 111.864 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 4.3 t -64.45 -38.56 82.91 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 0 O-C-N 123.704 0.628 . . . . 10.0 111.224 172.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.95 -42.79 77.09 Favored 'Isoleucine or valine' 0 C--O 1.259 1.567 0 O-C-N 124.722 1.264 . . . . 10.0 112.048 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.74 -42.3 89.24 Favored 'Isoleucine or valine' 0 C--O 1.258 1.553 0 O-C-N 125.137 1.523 . . . . 10.0 111.762 -178.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 37' ' ' ILE . 42.9 t -70.78 -30.09 40.49 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 O-C-N 124.718 1.262 . . . . 10.0 111.257 177.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.11 -39.97 96.62 Favored Glycine 0 C--O 1.259 1.695 0 O-C-N 124.68 1.237 . . . . 10.0 110.868 175.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 88.39 0.08 Allowed 'General case' 0 C--O 1.255 1.381 0 O-C-N 125.807 1.533 . . . . 10.0 110.82 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 m 140.91 -34.97 0.01 OUTLIER 'General case' 1 C--N 0.124 -52.684 3 O-C-N 60.722 -38.736 . . . . 10.0 112.453 170.35 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 33' ' ' VAL . 82.3 mt -68.26 -44.0 84.23 Favored 'Isoleucine or valine' 0 C--O 1.257 1.472 0 O-C-N 124.165 0.915 . . . . 10.0 111.976 179.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.48 -50.5 54.86 Favored Glycine 0 C--O 1.255 1.414 0 O-C-N 125.026 1.454 . . . . 10.0 112.501 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.71 -37.55 78.81 Favored 'Isoleucine or valine' 0 C--O 1.259 1.556 0 O-C-N 124.479 0.752 . . . . 10.0 112.004 -176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 28.9 mmmt -67.84 -25.66 65.66 Favored 'General case' 0 C--O 1.257 1.498 0 C-N-CA 119.367 -0.933 . . . . 10.0 110.762 175.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.59 -36.92 79.36 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 125.701 1.875 . . . . 10.0 111.932 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -58.81 -43.31 90.55 Favored 'General case' 0 C--O 1.258 1.533 0 O-C-N 124.56 1.163 . . . . 10.0 110.181 174.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.32 -35.76 81.46 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-N 113.811 -1.541 . . . . 10.0 111.101 177.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 74.5 mmtt -62.54 -45.23 93.91 Favored 'General case' 0 C--O 1.256 1.405 0 O-C-N 125.634 1.834 . . . . 10.0 110.59 177.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -56.9 -46.88 81.62 Favored 'General case' 0 C--O 1.26 1.622 0 O-C-N 125.411 1.694 . . . . 10.0 111.32 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -60.01 -43.89 94.92 Favored 'General case' 0 C--O 1.258 1.534 0 O-C-N 125.995 2.059 . . . . 10.0 111.719 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.6 m . . . . . 0 C--O 1.257 1.499 0 O-C-N 124.884 1.365 . . . . 10.0 111.946 179.565 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo . . . . . 0 C--O 1.258 1.482 0 N-CA-C 111.322 -0.299 . . . . 10.0 111.322 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.87 -36.7 67.44 Favored 'General case' 0 C--O 1.258 1.503 0 O-C-N 125.097 1.498 . . . . 10.0 112.625 -179.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -64.35 -42.56 96.16 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 124.642 1.214 . . . . 10.0 110.457 177.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.14 87.84 Favored 'General case' 0 C--O 1.259 1.556 0 O-C-N 125.066 1.478 . . . . 10.0 111.26 179.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.2 93.84 Favored 'General case' 0 C--O 1.258 1.537 0 O-C-N 125.3 1.625 . . . . 10.0 110.34 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -31.59 71.14 Favored 'General case' 0 C--O 1.257 1.468 0 O-C-N 125.456 1.723 . . . . 10.0 112.018 177.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.91 -43.35 88.41 Favored 'General case' 0 C--O 1.258 1.521 0 O-C-N 125.091 1.495 . . . . 10.0 111.151 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.6 m -65.17 -39.27 92.7 Favored 'General case' 0 C--O 1.257 1.463 0 O-C-N 125.528 1.768 . . . . 10.0 110.766 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.008 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 48.9 mt -66.38 -35.93 81.57 Favored 'General case' 0 C--O 1.257 1.471 0 O-C-N 125.51 1.756 . . . . 10.0 111.207 179.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.42 32.93 0.04 OUTLIER 'General case' 0 C--O 1.256 1.398 0 O-C-N 125.115 1.509 . . . . 10.0 111.55 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -12.24 -40.26 0.0 OUTLIER 'General case' 1 C--N 0.089 -54.202 3 O-C-N 65.48 -35.762 . . . . 10.0 111.165 52.149 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . 1.008 ' OG ' ' HA ' ' A' ' 14' ' ' LEU . 49.4 m -64.47 -38.57 91.47 Favored 'General case' 0 C--O 1.257 1.473 0 O-C-N 124.803 1.315 . . . . 10.0 110.738 177.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.89 -34.0 73.97 Favored 'General case' 0 C--O 1.257 1.459 0 O-C-N 125.764 1.915 . . . . 10.0 110.521 176.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.9 m -69.0 -33.56 73.87 Favored 'General case' 0 C--O 1.257 1.491 0 O-C-N 124.846 1.341 . . . . 10.0 111.845 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' OE1' ' HA ' ' A' ' 17' ' ' SER . 40.5 mt-10 -65.61 -48.21 73.04 Favored 'General case' 0 C--O 1.257 1.46 0 O-C-N 124.528 1.143 . . . . 10.0 111.82 177.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -56.66 -43.97 80.89 Favored 'General case' 0 C--O 1.258 1.525 0 O-C-N 125.298 1.624 . . . . 10.0 110.444 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.666 HG23 ' CH2' ' A' ' 26' ' ' TRP . 0.5 OUTLIER -65.48 -32.41 58.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.461 0 CA-C-N 113.086 -1.87 . . . . 10.0 112.587 -177.539 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.528 ' HA2' ' CE3' ' A' ' 26' ' ' TRP . . . -67.05 -40.86 93.16 Favored Glycine 0 C--O 1.258 1.63 0 O-C-N 124.29 0.994 . . . . 10.0 111.067 176.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.26 -31.46 72.62 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 113.779 -1.21 . . . . 10.0 110.432 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.59 10.41 0.19 Allowed 'General case' 0 C--O 1.255 1.353 0 O-C-N 124.542 1.151 . . . . 10.0 111.688 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.666 ' CH2' HG23 ' A' ' 22' ' ' ILE . 2.6 m0 -110.78 -39.29 4.89 Favored 'General case' 1 C--N 0.44 -38.954 3 C-N-CA 76.214 -18.195 . . . . 10.0 110.805 -172.755 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.485 ' O ' ' HB ' ' A' ' 30' ' ' VAL . . . -67.87 -43.56 79.1 Favored 'General case' 0 C--O 1.258 1.505 0 O-C-N 124.698 1.249 . . . . 10.0 113.648 179.172 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.16 -42.16 99.0 Favored 'General case' 0 C--O 1.257 1.455 0 O-C-N 124.536 1.148 . . . . 10.0 110.137 -176.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.7 t -70.67 -23.1 23.84 Favored 'Isoleucine or valine' 0 C--O 1.254 1.301 0 CA-C-N 112.432 -2.167 . . . . 10.0 111.864 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 4.3 t -64.45 -38.56 82.91 Favored 'Isoleucine or valine' 0 C--O 1.259 1.573 0 O-C-N 123.704 0.628 . . . . 10.0 111.224 172.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.9 t -70.95 -42.79 77.09 Favored 'Isoleucine or valine' 0 C--O 1.259 1.567 0 O-C-N 124.722 1.264 . . . . 10.0 112.048 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.1 mt -66.74 -42.3 89.24 Favored 'Isoleucine or valine' 0 C--O 1.258 1.553 0 O-C-N 125.137 1.523 . . . . 10.0 111.762 -178.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 37' ' ' ILE . 42.9 t -70.78 -30.09 40.49 Favored 'Isoleucine or valine' 0 C--O 1.256 1.399 0 O-C-N 124.718 1.262 . . . . 10.0 111.257 177.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.11 -39.97 96.62 Favored Glycine 0 C--O 1.259 1.695 0 O-C-N 124.68 1.237 . . . . 10.0 110.868 175.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 88.39 0.08 Allowed 'General case' 0 C--O 1.255 1.381 0 O-C-N 125.807 1.533 . . . . 10.0 110.82 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 19.3 m 140.91 -34.97 0.01 OUTLIER 'General case' 1 C--N 0.124 -52.684 3 O-C-N 60.722 -38.736 . . . . 10.0 112.453 170.35 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 33' ' ' VAL . 82.3 mt -68.26 -44.0 84.23 Favored 'Isoleucine or valine' 0 C--O 1.257 1.472 0 O-C-N 124.165 0.915 . . . . 10.0 111.976 179.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.48 -50.5 54.86 Favored Glycine 0 C--O 1.255 1.414 0 O-C-N 125.026 1.454 . . . . 10.0 112.501 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.71 -37.55 78.81 Favored 'Isoleucine or valine' 0 C--O 1.259 1.556 0 O-C-N 124.479 0.752 . . . . 10.0 112.004 -176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 28.9 mmmt -67.84 -25.66 65.66 Favored 'General case' 0 C--O 1.257 1.498 0 C-N-CA 119.367 -0.933 . . . . 10.0 110.762 175.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.59 -36.92 79.36 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 125.701 1.875 . . . . 10.0 111.932 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -58.81 -43.31 90.55 Favored 'General case' 0 C--O 1.258 1.533 0 O-C-N 124.56 1.163 . . . . 10.0 110.181 174.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.32 -35.76 81.46 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-N 113.811 -1.541 . . . . 10.0 111.101 177.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 74.5 mmtt -62.54 -45.23 93.91 Favored 'General case' 0 C--O 1.256 1.405 0 O-C-N 125.634 1.834 . . . . 10.0 110.59 177.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -56.9 -46.88 81.62 Favored 'General case' 0 C--O 1.26 1.622 0 O-C-N 125.411 1.694 . . . . 10.0 111.32 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -60.01 -43.89 94.92 Favored 'General case' 0 C--O 1.258 1.534 0 O-C-N 125.995 2.059 . . . . 10.0 111.719 -177.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 65.6 m . . . . . 0 C--O 1.257 1.499 0 O-C-N 124.884 1.365 . . . . 10.0 111.946 179.565 . . . . . . . . 0 0 . 1 stop_ save_