data_2jp5_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 2jp5 _Structure_validation_residue.Date_analyzed 2016-10-07 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 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.69 85.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.03 56.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.8 Cg_endo -74.92 139.84 24.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.81 85.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 107.94 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.45 113.02 56.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -74.99 139.86 24.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.932 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.523 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.23 85.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 113.01 56.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.1 Cg_endo -75.04 139.86 24.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.008 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.6 85.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.56 113.04 56.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -75.04 139.85 24.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.562 0.22 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.537 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 112.97 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -75.02 139.81 24.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.577 1.83 . . . . 0.0 110.975 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.542 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.14 85.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.01 56.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.6 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.38 85.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 112.98 55.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.1 Cg_endo -75.03 139.89 24.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.554 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.2 t-105 44.48 85.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.557 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -88.38 129.19 50.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 139.9 24.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.88 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.041 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.92 55.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -74.94 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 46.02 85.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.536 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.41 113.04 56.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -75.02 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.044 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.528 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.68 85.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -74.92 114.77 4.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.53 85.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.48 112.98 55.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -75.01 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.565 0.222 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.93 85.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 139.85 24.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.0 110.985 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.541 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.62 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.54 113.03 56.24 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -75.01 139.88 24.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.93 85.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.97 55.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -74.99 139.91 24.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.596 0.236 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.14 85.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -75.06 139.87 24.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.534 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.48 85.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.982 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 112.99 56.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -75.01 139.81 24.68 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.052 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.8 85.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.39 112.94 55.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.7 Cg_endo -74.93 139.86 24.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.71 85.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 108.067 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.98 55.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -74.95 139.9 24.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.965 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.69 85.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 113.04 56.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.87 24.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.534 1.807 . . . . 0.0 110.934 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.49 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.41 169.6 22.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.69 85.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.03 56.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.8 Cg_endo -74.92 139.84 24.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 132.91 16.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.39 170.08 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.81 85.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 107.94 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.45 113.02 56.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -74.99 139.86 24.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 147.44 34.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.476 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.476 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.39 170.25 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.523 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.23 85.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 113.01 56.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.1 Cg_endo -75.04 139.86 24.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.96 24.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.481 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.38 169.82 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.6 85.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.56 113.04 56.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -75.04 139.85 24.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 153.43 41.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.6 p -152.43 169.86 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.537 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 112.97 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -75.02 139.81 24.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 164.25 33.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.577 1.83 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.487 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.5 p -152.36 169.8 21.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.542 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.14 85.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.518 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.01 56.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.6 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 158.89 42.21 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.493 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.36 170.23 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.38 85.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 112.98 55.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.1 Cg_endo -75.03 139.89 24.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.86 20.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.531 ' NE ' ' CA ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.45 170.06 21.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.554 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.2 t-105 44.48 85.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.557 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -88.38 129.19 50.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 139.9 24.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 139.15 23.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.484 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.41 170.31 20.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.88 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.041 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.92 55.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -74.94 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.26 24.16 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.49 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.6 p -152.42 170.28 20.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 46.02 85.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.536 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.41 113.04 56.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -75.02 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 163.11 36.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 110.261 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.7 p -152.37 169.63 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.528 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.68 85.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.548 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -74.92 114.77 4.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 144.36 30.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.492 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.492 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.7 p -152.36 169.95 21.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.53 85.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.48 112.98 55.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -75.01 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.13 4.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 1' ' ' ALA . 1.7 p 58.87 170.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.93 85.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.547 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 139.85 24.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 146.82 33.1 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p 58.85 170.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.541 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.62 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.54 113.03 56.24 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -75.01 139.88 24.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 124.34 8.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.413 ' O ' ' OG1' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 1' ' ' ALA . 1.7 p 58.86 170.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.93 85.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.97 55.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -74.99 139.91 24.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.84 37.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' O ' ' OG1' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 1' ' ' ALA . 1.7 p 58.88 170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.14 85.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -75.06 139.87 24.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 158.6 42.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.068 . . . . 0.0 110.26 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 1' ' ' ALA . 1.7 p 58.91 170.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.36 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.534 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.48 85.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.982 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 112.99 56.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -75.01 139.81 24.68 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.28 43.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 1' ' ' ALA . 1.7 p 58.94 170.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.8 85.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.39 112.94 55.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.7 Cg_endo -74.93 139.86 24.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.79 39.87 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p 57.01 170.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.71 85.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 108.067 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.541 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.98 55.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -74.95 139.9 24.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.18 5.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p 57.01 170.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.69 85.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 113.04 56.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.87 24.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 158.27 42.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.534 1.807 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.69 85.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.03 56.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.8 Cg_endo -74.92 139.84 24.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.81 85.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 107.94 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.787 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.45 113.02 56.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.4 Cg_endo -74.99 139.86 24.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.523 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.23 85.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 113.01 56.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.04 139.86 24.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.6 85.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.8 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.56 113.04 56.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -75.04 139.85 24.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.562 0.22 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.537 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.799 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 112.97 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -75.02 139.81 24.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.577 1.83 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.542 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.14 85.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.01 56.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.6 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.38 85.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.777 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 112.98 55.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.03 139.89 24.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.554 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.2 t-105 44.48 85.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.809 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -88.38 129.19 50.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.2 Cg_endo -75.09 139.9 24.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.88 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.041 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.92 55.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -74.94 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 46.02 85.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.788 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.41 113.04 56.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -75.02 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.044 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.528 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.68 85.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.795 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -74.92 114.77 4.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.53 85.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.779 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.48 112.98 55.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -75.01 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.565 0.222 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.93 85.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.794 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -75.0 139.85 24.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.541 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.62 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.782 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.54 113.03 56.24 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.4 Cg_endo -75.01 139.88 24.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.93 85.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.798 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.97 55.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -74.99 139.91 24.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.596 0.236 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.14 85.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.796 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -75.06 139.87 24.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.534 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.48 85.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.982 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.785 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 112.99 56.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -75.01 139.81 24.68 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.8 85.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.802 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.39 112.94 55.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.7 Cg_endo -74.93 139.86 24.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.71 85.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 108.067 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.801 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.98 55.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -74.95 139.9 24.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.69 85.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 113.04 56.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.05 139.87 24.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.534 1.807 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.49 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.41 169.6 22.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.69 85.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.03 56.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.8 Cg_endo -74.92 139.84 24.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.97 132.91 16.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.39 170.08 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.81 85.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 107.94 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.787 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.45 113.02 56.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.4 Cg_endo -74.99 139.86 24.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.96 147.44 34.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.476 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.476 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.39 170.25 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.523 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.23 85.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 113.01 56.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.04 139.86 24.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo -75.0 139.96 24.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.481 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.38 169.82 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.6 85.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.8 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.56 113.04 56.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -75.04 139.85 24.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo -75.01 153.43 41.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.6 p -152.43 169.86 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.537 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.799 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 112.97 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -75.02 139.81 24.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.07 164.25 33.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.577 1.83 . . . . 0.0 110.975 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.487 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.5 p -152.36 169.8 21.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.542 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.14 85.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.01 56.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.6 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo -74.93 158.89 42.21 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.493 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.36 170.23 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.38 85.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.777 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 112.98 55.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.03 139.89 24.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.99 136.86 20.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.531 ' CA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.45 170.06 21.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.554 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.2 t-105 44.48 85.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.809 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -88.38 129.19 50.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.2 Cg_endo -75.09 139.9 24.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.07 139.15 23.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.484 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.41 170.31 20.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.88 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.041 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.92 55.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -74.94 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.26 24.16 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.49 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.6 p -152.42 170.28 20.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 46.02 85.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.788 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.41 113.04 56.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -75.02 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 163.11 36.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 110.261 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.7 p -152.37 169.63 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.528 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.68 85.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.795 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -74.92 114.77 4.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 144.36 30.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.492 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.492 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.7 p -152.36 169.95 21.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.53 85.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.779 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.48 112.98 55.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -75.01 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.13 4.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.494 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.87 170.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.93 85.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.794 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -75.0 139.85 24.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -75.0 146.82 33.1 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.0 110.985 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.49 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.85 170.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.541 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.62 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.782 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.54 113.03 56.24 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.4 Cg_endo -75.01 139.88 24.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -74.99 124.34 8.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.485 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.86 170.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.93 85.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.798 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.97 55.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -74.99 139.91 24.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.84 37.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.492 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.492 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.88 170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.14 85.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.796 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -75.06 139.87 24.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.95 158.6 42.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.068 . . . . 0.0 110.26 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.483 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.483 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.91 170.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.36 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.534 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.48 85.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.982 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.785 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 112.99 56.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -75.01 139.81 24.68 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.97 155.28 43.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.052 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.485 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.94 170.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.8 85.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.802 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.39 112.94 55.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.7 Cg_endo -74.93 139.86 24.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.79 39.87 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.456 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.456 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.6 p 57.01 170.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.71 85.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 108.067 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.801 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.98 55.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -74.95 139.9 24.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.04 120.18 5.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.465 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 57.01 170.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.69 85.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 113.04 56.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.05 139.87 24.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.0 Cg_endo -75.04 158.27 42.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.534 1.807 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.69 85.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.03 56.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.8 Cg_endo -74.92 139.84 24.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.81 85.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 107.94 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.787 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.45 113.02 56.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.4 Cg_endo -74.99 139.86 24.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.523 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.23 85.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 113.01 56.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.04 139.86 24.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.6 85.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.8 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.56 113.04 56.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -75.04 139.85 24.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.562 0.22 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.537 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.799 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 112.97 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -75.02 139.81 24.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.577 1.83 . . . . 0.0 110.975 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.542 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.14 85.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.01 56.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.6 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.38 85.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.777 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 112.98 55.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.03 139.89 24.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.554 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.2 t-105 44.48 85.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.809 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -88.38 129.19 50.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.2 Cg_endo -75.09 139.9 24.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.88 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.041 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.92 55.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -74.94 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 46.02 85.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.788 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.41 113.04 56.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -75.02 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.044 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.528 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.68 85.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.795 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -74.92 114.77 4.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.53 85.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.779 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.48 112.98 55.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -75.01 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.565 0.222 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.93 85.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.794 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -75.0 139.85 24.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.541 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.62 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.782 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.54 113.03 56.24 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.4 Cg_endo -75.01 139.88 24.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.93 85.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.798 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.97 55.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -74.99 139.91 24.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.596 0.236 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.14 85.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.796 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -75.06 139.87 24.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.534 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.48 85.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.982 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.785 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 112.99 56.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -75.01 139.81 24.68 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.052 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.8 85.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.802 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.39 112.94 55.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.7 Cg_endo -74.93 139.86 24.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.71 85.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 108.067 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.801 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.98 55.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -74.95 139.9 24.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.69 85.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 113.04 56.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.05 139.87 24.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.534 1.807 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.49 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.41 169.6 22.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.418 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.69 85.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 107.999 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.03 56.18 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.8 Cg_endo -74.92 139.84 24.97 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.97 132.91 16.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.459 1.768 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.39 170.08 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.81 85.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 107.94 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.787 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.45 113.02 56.11 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.4 Cg_endo -74.99 139.86 24.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.44 1.758 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.96 147.44 34.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.797 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.476 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.476 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.39 170.25 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.371 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.523 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.23 85.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.792 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 113.01 56.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.04 139.86 24.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.794 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo -75.0 139.96 24.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.572 1.827 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.327 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.481 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.481 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.38 169.82 21.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.6 85.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.8 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.56 113.04 56.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.217 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -75.04 139.85 24.66 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo -75.01 153.43 41.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.6 p -152.43 169.86 21.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.537 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.799 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 112.97 55.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -75.02 139.81 24.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.07 164.25 33.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.577 1.83 . . . . 0.0 110.975 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.487 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.5 p -152.36 169.8 21.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.542 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.14 85.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 108.047 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 113.01 56.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.6 Cg_endo -74.95 139.85 24.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.4 Cg_endo -74.93 158.89 42.21 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.543 1.812 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.493 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.493 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.36 170.23 20.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 44.38 85.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.777 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.47 112.98 55.98 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.03 139.89 24.74 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.99 136.86 20.98 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.519 1.8 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.531 ' CA ' ' NE ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.486 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.45 170.06 21.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.554 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.2 t-105 44.48 85.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.809 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -88.38 129.19 50.33 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.2 Cg_endo -75.09 139.9 24.59 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.07 139.15 23.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.484 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.8 p -152.41 170.31 20.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.373 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.88 85.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.041 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.92 55.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -74.94 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.04 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 139.26 24.16 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.49 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.6 p -152.42 170.28 20.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.539 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 46.02 85.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 108.007 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.788 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.41 113.04 56.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.4 Cg_endo -75.02 114.68 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 163.11 36.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.044 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.1 . . . . 0.0 110.261 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.7 p -152.37 169.63 22.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.528 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.68 85.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 108.033 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.795 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.96 55.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -74.92 114.77 4.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 144.36 30.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.492 ' C ' ' CG2' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.492 ' CG2' ' C ' ' A' ' 1' ' ' ALA . 3.7 p -152.36 169.95 21.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.53 85.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.779 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.48 112.98 55.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.5 Cg_endo -75.01 114.76 4.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.13 4.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.494 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.494 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.87 170.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.425 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 47.93 85.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.794 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.91 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -75.0 139.85 24.76 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.762 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -75.0 146.82 33.1 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.554 1.818 . . . . 0.0 110.985 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.49 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.85 170.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.541 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.62 85.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.782 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.54 113.03 56.24 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.4 Cg_endo -75.01 139.88 24.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.406 1.74 . . . . 0.0 110.969 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.1 Cg_endo -74.99 124.34 8.56 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.485 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.86 170.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.535 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.93 85.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.798 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.44 112.97 55.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.3 Cg_endo -74.99 139.91 24.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.783 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 149.84 37.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.492 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.492 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.88 170.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.391 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.538 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 49.14 85.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.796 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.42 112.98 55.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -75.06 139.87 24.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.5 Cg_endo -74.95 158.6 42.29 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.532 1.806 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.068 . . . . 0.0 110.26 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.483 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.483 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.91 170.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.36 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.534 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.48 85.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 107.982 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.785 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.49 112.99 56.02 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.3 Cg_endo -75.01 139.81 24.68 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.3 Cg_endo -74.97 155.28 43.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.052 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 110.341 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.485 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.485 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 58.94 170.74 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.371 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.53 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 50.8 85.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 107.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.802 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.39 112.94 55.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HB3' ' CZ2' ' A' ' 3' ' ' TRP . 18.7 Cg_endo -74.93 139.86 24.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.79 39.87 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.447 1.761 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.456 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.456 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.6 p 57.01 170.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.527 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 45.71 85.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 108.067 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.801 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.37 112.98 55.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.5 Cg_endo -74.95 139.9 24.96 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 111.048 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.2 Cg_endo -75.04 120.18 5.95 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.465 ' C ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 1' ' ' ALA . 1.7 p 57.01 170.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.533 ' O ' ' CG ' ' A' ' 3' ' ' TRP . 1.7 t-105 48.69 85.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 107.976 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.797 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -90.5 113.04 56.24 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 18.1 Cg_endo -75.05 139.87 24.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 18.0 Cg_endo -75.04 158.27 42.13 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.534 1.807 . . . . 0.0 110.934 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 stop_ save_