data_1gcn_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 1gcn _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 ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.572 0 N-CA-C 116.261 1.948 . . . . 25.0 116.261 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -21.14 -57.57 0.02 OUTLIER 'General case' 0 C--O 1.255 1.374 0 CA-C-N 108.504 -3.953 . . . . 19.0 111.879 168.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -74.44 -12.05 60.4 Favored 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 113.647 -3.073 . . . . 26.0 114.053 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -14.59 145.32 0.0 OUTLIER Glycine 0 N--CA 1.493 2.497 0 C-N-CA 128.091 2.757 . . . . 14.0 116.388 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.555 0.2 OUTLIER -63.85 54.62 0.02 OUTLIER 'General case' 0 C--O 1.255 1.344 1 N-CA-C 123.582 4.66 . . . . 15.0 123.582 -162.528 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -66.23 -35.44 80.43 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 119.047 -2.283 . . . . 12.0 111.064 173.919 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -49.94 -37.55 32.42 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 118.244 2.683 . . . . 14.0 118.244 -175.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m -85.18 -1.63 57.12 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-N 112.7 -2.045 . . . . 20.0 112.797 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.32 -52.83 14.44 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 114.088 -1.415 . . . . 16.0 110.163 173.372 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . 0.437 ' OH ' ' CD1' ' A' ' 14' ' ' LEU . 43.2 t80 -75.25 -58.8 3.06 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 125.691 1.869 . . . . 11.0 114.797 -177.462 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.312 28.7 m -51.97 9.62 0.0 OUTLIER 'General case' 0 C--O 1.256 1.447 0 N-CA-C 117.526 2.417 . . . . 19.0 117.526 -169.129 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 10' ' ' TYR . 79.0 tttt -103.41 -58.43 1.88 Allowed 'General case' 0 C--O 1.253 1.28 1 C-N-CA 134.074 4.95 . . . . 26.0 112.45 174.798 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -39.55 -40.58 0.89 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.155 -1.59 . . . . 10.0 111.754 174.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' CD1' ' OH ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -73.79 -5.56 41.6 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 115.09 -0.959 . . . . 25.0 111.904 -178.782 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 4.58 53.72 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-N 114.389 -1.278 . . . . 21.0 108.959 173.16 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -113.06 -28.81 7.54 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 113.334 -1.757 . . . . 11.0 110.938 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -79.76 -36.44 37.21 Favored 'General case' 0 C--O 1.252 1.225 0 C-N-CA 119.075 -1.05 . . . . 14.0 112.909 -179.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.1 4.44 26.36 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 122.019 0.914 . . . . 14.0 109.032 175.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.89 -30.19 11.8 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-N 114.144 -1.389 . . . . 15.0 109.218 172.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -17.5 50.19 Favored 'General case' 0 C--O 1.256 1.4 0 CA-C-N 112.915 -1.948 . . . . 24.0 109.984 172.201 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -80.41 -33.38 37.02 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 112.568 -2.105 . . . . 28.0 110.278 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -60.73 -40.12 91.21 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-N 113.05 -1.887 . . . . 16.0 110.192 172.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.37 -5.78 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.323 0 O-C-N 125.286 1.616 . . . . 13.0 113.749 -173.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -90.76 -32.56 16.08 Favored 'General case' 0 C--O 1.25 1.102 0 CA-C-N 112.51 -2.132 . . . . 32.0 111.291 175.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -76.82 -43.42 36.51 Favored 'General case' 0 C--O 1.258 1.54 0 O-C-N 121.05 -1.031 . . . . 12.0 112.465 -175.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 tp -76.87 9.46 2.88 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 111.76 -2.473 . . . . 11.0 109.507 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.9 ttt -145.3 -93.98 0.1 Allowed 'General case' 0 C--O 1.251 1.167 0 CA-C-N 111.892 -2.413 . . . . 13.0 115.326 177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . 0.323 0.9 OUTLIER 15.67 64.02 0.01 OUTLIER 'General case' 0 C--O 1.256 1.427 0 N-CA-C 118.473 2.768 . . . . 19.0 118.473 -167.473 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.205 1 C-N-CA 132.735 4.414 . . . . 30.0 119.169 171.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HIS . . . . . 0.426 ' HB2' ' H ' ' A' ' 2' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.572 0 N-CA-C 116.261 1.948 . . . . 25.0 116.261 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.426 ' H ' ' HB2' ' A' ' 1' ' ' HIS . 14.4 t -21.14 -57.57 0.02 OUTLIER 'General case' 0 C--O 1.255 1.374 0 CA-C-N 108.504 -3.953 . . . . 19.0 111.879 168.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -74.44 -12.05 60.4 Favored 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 113.647 -3.073 . . . . 26.0 114.053 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -14.59 145.32 0.0 OUTLIER Glycine 0 N--CA 1.493 2.497 0 C-N-CA 128.091 2.757 . . . . 14.0 116.388 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.555 0.2 OUTLIER -63.85 54.62 0.02 OUTLIER 'General case' 0 C--O 1.255 1.344 1 N-CA-C 123.582 4.66 . . . . 15.0 123.582 -162.528 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -66.23 -35.44 80.43 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 119.047 -2.283 . . . . 12.0 111.064 173.919 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -49.94 -37.55 32.42 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 118.244 2.683 . . . . 14.0 118.244 -175.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m -85.18 -1.63 57.12 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-N 112.7 -2.045 . . . . 20.0 112.797 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -72.32 -52.83 14.44 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 114.088 -1.415 . . . . 16.0 110.163 173.372 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . 0.79 ' OH ' HD12 ' A' ' 14' ' ' LEU . 43.2 t80 -75.25 -58.8 3.06 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 125.691 1.869 . . . . 11.0 114.797 -177.462 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.312 28.7 m -51.97 9.62 0.0 OUTLIER 'General case' 0 C--O 1.256 1.447 0 N-CA-C 117.526 2.417 . . . . 19.0 117.526 -169.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . 0.632 ' H ' ' C ' ' A' ' 10' ' ' TYR . 79.0 tttt -103.41 -58.43 1.88 Allowed 'General case' 0 C--O 1.253 1.28 1 C-N-CA 134.074 4.95 . . . . 26.0 112.45 174.798 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -39.55 -40.58 0.89 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.155 -1.59 . . . . 10.0 111.754 174.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.79 HD12 ' OH ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -73.79 -5.56 41.6 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 115.09 -0.959 . . . . 25.0 111.904 -178.782 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 4.58 53.72 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-N 114.389 -1.278 . . . . 21.0 108.959 173.16 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -113.06 -28.81 7.54 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 113.334 -1.757 . . . . 11.0 110.938 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -79.76 -36.44 37.21 Favored 'General case' 0 C--O 1.252 1.225 0 C-N-CA 119.075 -1.05 . . . . 14.0 112.909 -179.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.1 4.44 26.36 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 122.019 0.914 . . . . 14.0 109.032 175.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.89 -30.19 11.8 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-N 114.144 -1.389 . . . . 15.0 109.218 172.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -17.5 50.19 Favored 'General case' 0 C--O 1.256 1.4 0 CA-C-N 112.915 -1.948 . . . . 24.0 109.984 172.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -80.41 -33.38 37.02 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 112.568 -2.105 . . . . 28.0 110.278 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -60.73 -40.12 91.21 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-N 113.05 -1.887 . . . . 16.0 110.192 172.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.37 -5.78 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.323 0 O-C-N 125.286 1.616 . . . . 13.0 113.749 -173.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . 0.509 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 6.7 tt0 -90.76 -32.56 16.08 Favored 'General case' 0 C--O 1.25 1.102 0 CA-C-N 112.51 -2.132 . . . . 32.0 111.291 175.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . 0.443 ' C ' ' H ' ' A' ' 27' ' ' MET . 13.9 t90 -76.82 -43.42 36.51 Favored 'General case' 0 C--O 1.258 1.54 0 O-C-N 121.05 -1.031 . . . . 12.0 112.465 -175.93 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 tp -76.87 9.46 2.88 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 111.76 -2.473 . . . . 11.0 109.507 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . 0.443 ' H ' ' C ' ' A' ' 25' ' ' TRP . 2.9 ttt -145.3 -93.98 0.1 Allowed 'General case' 0 C--O 1.251 1.167 0 CA-C-N 111.892 -2.413 . . . . 13.0 115.326 177.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 24' ' ' GLN 0.323 0.9 OUTLIER 15.67 64.02 0.01 OUTLIER 'General case' 0 C--O 1.256 1.427 0 N-CA-C 118.473 2.768 . . . . 19.0 118.473 -167.473 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.205 1 C-N-CA 132.735 4.414 . . . . 30.0 119.169 171.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.426 ' HB2' ' H ' ' A' ' 2' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.572 0 N-CA-C 116.261 1.948 . . . . 25.0 116.261 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.426 ' H ' ' HB2' ' A' ' 1' ' ' HIS . 14.4 t -21.14 -57.57 0.02 OUTLIER 'General case' 0 C--O 1.255 1.374 0 CA-C-N 108.504 -3.953 . . . . 19.0 111.879 168.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -74.44 -12.05 60.4 Favored 'General case' 0 N--CA 1.5 2.04 0 CA-C-O 113.647 -3.073 . . . . 26.0 114.053 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -14.59 145.32 0.0 OUTLIER Glycine 0 N--CA 1.493 2.497 0 C-N-CA 128.091 2.757 . . . . 14.0 116.388 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.555 0.2 OUTLIER -63.85 54.62 0.02 OUTLIER 'General case' 0 C--O 1.255 1.344 1 N-CA-C 123.582 4.66 . . . . 15.0 123.582 -162.528 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.523 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -66.23 -35.44 80.43 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 119.047 -2.283 . . . . 12.0 111.064 173.919 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -49.94 -37.55 32.42 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 118.244 2.683 . . . . 14.0 118.244 -175.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 m -85.18 -1.63 57.12 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-N 112.7 -2.045 . . . . 20.0 112.797 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.523 ' HB2' ' O ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -72.32 -52.83 14.44 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 114.088 -1.415 . . . . 16.0 110.163 173.372 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.79 ' OH ' HD12 ' A' ' 14' ' ' LEU . 43.2 t80 -75.25 -58.8 3.06 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 125.691 1.869 . . . . 11.0 114.797 -177.462 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.312 28.7 m -51.97 9.62 0.0 OUTLIER 'General case' 0 C--O 1.256 1.447 0 N-CA-C 117.526 2.417 . . . . 19.0 117.526 -169.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.632 ' H ' ' C ' ' A' ' 10' ' ' TYR . 79.0 tttt -103.41 -58.43 1.88 Allowed 'General case' 0 C--O 1.253 1.28 1 C-N-CA 134.074 4.95 . . . . 26.0 112.45 174.798 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -39.55 -40.58 0.89 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.155 -1.59 . . . . 10.0 111.754 174.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.79 HD12 ' OH ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -73.79 -5.56 41.6 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 115.09 -0.959 . . . . 25.0 111.904 -178.782 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.59 4.58 53.72 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-N 114.389 -1.278 . . . . 21.0 108.959 173.16 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t -113.06 -28.81 7.54 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 113.334 -1.757 . . . . 11.0 110.938 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -79.76 -36.44 37.21 Favored 'General case' 0 C--O 1.252 1.225 0 C-N-CA 119.075 -1.05 . . . . 14.0 112.909 -179.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.1 4.44 26.36 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 122.019 0.914 . . . . 14.0 109.032 175.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.89 -30.19 11.8 Favored 'General case' 0 C--O 1.256 1.412 0 CA-C-N 114.144 -1.389 . . . . 15.0 109.218 172.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -17.5 50.19 Favored 'General case' 0 C--O 1.256 1.4 0 CA-C-N 112.915 -1.948 . . . . 24.0 109.984 172.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -80.41 -33.38 37.02 Favored 'General case' 0 C--O 1.249 1.066 0 CA-C-N 112.568 -2.105 . . . . 28.0 110.278 -175.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -60.73 -40.12 91.21 Favored 'General case' 0 C--O 1.257 1.468 0 CA-C-N 113.05 -1.887 . . . . 16.0 110.192 172.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.37 -5.78 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.254 1.323 0 O-C-N 125.286 1.616 . . . . 13.0 113.749 -173.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.509 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 6.7 tt0 -90.76 -32.56 16.08 Favored 'General case' 0 C--O 1.25 1.102 0 CA-C-N 112.51 -2.132 . . . . 32.0 111.291 175.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.443 ' C ' ' H ' ' A' ' 27' ' ' MET . 13.9 t90 -76.82 -43.42 36.51 Favored 'General case' 0 C--O 1.258 1.54 0 O-C-N 121.05 -1.031 . . . . 12.0 112.465 -175.93 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.1 tp -76.87 9.46 2.88 Favored 'General case' 0 C--O 1.256 1.415 0 CA-C-N 111.76 -2.473 . . . . 11.0 109.507 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . 0.443 ' H ' ' C ' ' A' ' 25' ' ' TRP . 2.9 ttt -145.3 -93.98 0.1 Allowed 'General case' 0 C--O 1.251 1.167 0 CA-C-N 111.892 -2.413 . . . . 13.0 115.326 177.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 24' ' ' GLN 0.323 0.9 OUTLIER 15.67 64.02 0.01 OUTLIER 'General case' 0 C--O 1.256 1.427 0 N-CA-C 118.473 2.768 . . . . 19.0 118.473 -167.473 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.205 1 C-N-CA 132.735 4.414 . . . . 30.0 119.169 171.592 . . . . . . . . 2 2 . 1 stop_ save_