data_1dsv_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 1dsv _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 57' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.1 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -43.6 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 108.339 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 1.59 7.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -68.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.2 p -83.66 -34.91 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tttp 61.69 43.74 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -133.32 9.62 4.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 168.1 35.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 78.6 m-85 -96.71 118.76 33.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.3 p-80 178.9 167.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.612 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' CYS . 82.3 m95 -79.59 150.99 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -50.61 60.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -66.26 -23.75 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.98 -7.88 52.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.535 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -58.09 115.01 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.38 9.95 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.5 m -70.5 162.3 29.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -84.75 -44.17 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 61.6 m-85 -128.47 165.62 20.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.4 p-10 -134.53 -176.5 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -37.25 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.6 t70 61.6 11.91 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.2 41.84 96.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.0 m-80 -84.24 149.52 55.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.02 104.54 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 65' ' ' TYR . 2.4 tp . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.414 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 45.0 t -45.97 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.65 7.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -68.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.1 p -83.07 -35.84 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 tttt 61.12 40.53 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -129.74 10.25 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.18 169.46 36.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.534 ' CD1' HD13 ' A' ' 57' ' ' LEU . 29.9 m-85 -97.7 118.92 35.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.8 p-80 179.66 164.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -76.28 150.78 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -51.3 -50.9 58.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -66.61 -23.76 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.83 -7.73 55.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -56.04 118.16 4.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.73 10.36 24.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 m -72.22 160.75 31.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -85.03 -41.38 15.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 52.2 m-85 -128.61 164.14 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.5 p-10 -134.3 -176.44 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -37.32 151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.54 12.15 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.15 41.04 96.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 31.0 m-80 -83.36 149.7 58.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.99 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.7 tp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 48.6 t -42.94 101.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -64.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.3 p -89.7 -38.41 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mttt 67.43 46.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.87 14.95 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.65 152.44 7.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 82.9 m-85 -83.53 120.68 26.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.577 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.7 p-80 179.3 173.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -82.47 149.07 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.59 62.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 p -66.2 -24.79 66.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -89.77 -7.08 55.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.577 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.8 t -52.73 116.86 2.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 11.43 23.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -73.94 154.77 39.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -54.22 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.504 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 20.0 m-85 -116.05 158.1 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -132.81 -175.94 3.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -37.28 150.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 61.07 13.03 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.06 44.53 94.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.443 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.1 m-80 -87.47 142.53 33.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.582 0.813 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -74.97 103.16 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.404 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.541 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.6 t -41.94 101.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.96 2.06 7.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.8 p -89.54 -37.59 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttt 66.74 47.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 13.7 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.16 156.33 10.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 77.1 m-85 -85.27 125.86 33.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.0 p-80 175.79 169.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.457 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 38.9 m95 -75.35 148.68 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -68.39 -22.28 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 6.1 mm-40 -86.3 -5.05 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 54.1 t -57.54 114.14 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -106.39 12.85 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -75.07 148.09 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.576 ' CE2' ' O ' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -124.63 167.38 14.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -137.99 -176.13 4.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -37.13 150.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.4 t0 61.19 12.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 75' ' ' PHE . . . 58.19 43.2 95.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.435 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 29.5 m-80 -85.35 146.06 43.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.3 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.2 t -43.41 102.46 0.28 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.63 7.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -68.11 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.15 -35.15 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.91 44.28 8.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -134.51 11.0 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.22 167.27 32.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -95.91 121.92 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 177.89 174.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -84.54 149.91 25.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 108.013 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -53.08 -49.51 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -67.43 -20.05 65.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -95.08 -6.26 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.6 t -52.78 115.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.64 12.41 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.4 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -71.7 -179.95 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 48.1 m-85 -132.76 154.07 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -121.59 -177.49 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.89 153.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 62.61 10.05 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.86 38.28 95.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 27.6 m-80 -77.91 138.58 61.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.74 22.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.441 ' N ' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.74 105.98 0.58 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.61 7.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -66.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.9 p -83.38 -36.82 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 59.89 37.5 21.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -124.45 11.81 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.91 170.3 34.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -97.64 116.41 29.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.2 p-80 -178.06 157.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 71' ' ' CYS . 57.8 m95 -75.54 148.65 38.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.31 -45.24 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 t -60.05 -29.06 68.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.55 -11.54 29.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 42.0 t -52.4 121.32 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 11.0 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.21 169.5 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.46 -43.53 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.503 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 36.4 m-85 -125.88 147.19 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.468 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -133.77 -176.83 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 1.3 tptm -36.78 149.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.02 13.21 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.14 42.55 95.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.446 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.8 m-80 -85.59 141.56 36.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.1 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.4 t -42.67 101.92 0.26 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . 18.3 Cg_endo -75.05 1.75 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -86.98 -65.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.6 p -88.08 -37.24 16.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.412 ' CD ' ' HA ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 65.55 46.94 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -138.89 13.99 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.85 157.01 11.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.518 ' CD1' HD12 ' A' ' 57' ' ' LEU . 52.1 m-85 -87.09 123.0 31.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.552 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.4 p-80 177.17 171.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -78.75 149.85 32.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.98 -50.3 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -68.57 -18.74 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.95 -5.45 50.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.552 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -54.78 116.57 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -106.86 9.93 30.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.53 151.86 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 4.0 pttt -73.75 -44.7 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 41.5 m-85 -125.23 167.25 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -138.61 -176.15 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 17.0 pttm -37.08 150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.481 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.3 t0 61.16 12.86 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.26 42.68 95.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 28.6 m-80 -84.51 145.09 44.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.04 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.439 1.757 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -47.45 104.94 0.44 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.69 7.47 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -90.28 -67.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.3 p -82.58 -35.78 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 108.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.5 38.82 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.73 10.52 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.09 168.39 35.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 70.3 m-85 -97.68 116.97 30.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.2 p-80 -179.34 163.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 89.6 m95 -77.83 151.88 33.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -52.27 -50.95 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.1 p -66.66 -19.88 65.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.937 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.58 -9.02 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.564 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.6 t -56.79 116.35 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 11.41 28.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.3 m -71.52 170.36 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -96.03 -41.23 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.8 163.83 24.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.7 p-10 -134.69 -176.21 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.3 ptpp? -37.1 151.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.2 t0 61.26 12.71 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 40.49 95.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.44 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 28.2 m-80 -82.36 149.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.95 103.35 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 1.8 tp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 45.3 t -47.21 104.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.92 6.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 30.6 p -83.9 -27.69 28.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 5.1 pttt 51.4 38.16 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 16.21 5.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.43 169.51 33.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 76.8 m-85 -100.77 116.11 31.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -179.41 166.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.0 m95 -81.01 149.23 29.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -52.73 -45.75 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 p -62.07 -29.03 70.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.48 -8.98 39.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.7 t -55.41 121.67 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -118.93 12.05 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -178.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -112.92 -44.51 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' N ' HD22 ' A' ' 82' ' ' LEU . 4.4 m-85 -130.58 135.03 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.9 p-10 -124.63 -176.15 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ASP . 32.7 mtpt -36.27 150.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.4 t70 61.09 13.11 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.91 41.53 94.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 28.2 m-80 -82.82 134.85 46.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 75' ' ' PHE . 1.7 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.6 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 52.9 t -41.6 100.96 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 1.88 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -65.37 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 p -90.23 -36.96 14.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mttp 66.59 48.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -138.76 14.03 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.63 157.5 10.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -86.04 124.44 32.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.3 p-80 176.5 168.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.464 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 36.4 m95 -75.61 149.37 38.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.028 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.76 -50.42 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -68.98 -18.87 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 31.4 mm-40 -91.21 -4.72 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.3 t -61.17 116.2 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.64 12.22 24.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.52 170.8 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 -43.7 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.53 141.37 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 7.8 p-10 -126.3 -175.93 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.73 150.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.7 t70 61.25 13.1 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.73 43.08 94.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.438 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 29.3 m-80 -85.08 136.61 38.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.759 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.96 99.37 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 1.8 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.5 tp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.07 106.44 0.64 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -67.96 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.2 p -81.37 -36.6 29.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.48 36.35 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -126.48 13.34 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.83 170.56 36.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 76.5 m-85 -100.65 113.75 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -174.64 167.51 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.4 m95 -81.38 150.31 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.47 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 t -64.16 -27.3 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.83 -10.01 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 47.6 t -50.98 120.74 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -113.66 9.68 17.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.14 159.26 34.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -35.94 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 26.7 m-85 -145.09 158.3 43.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 77' ' ' LYS . 12.2 p-10 -133.97 -176.72 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -36.33 151.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.0 t70 61.26 12.45 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 37.88 91.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 24.9 m-80 -77.73 142.89 66.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.36 21.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.546 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -45.99 103.96 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.262 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.54 7.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.78 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -87.34 -64.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.5 p -89.87 -39.06 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 108.29 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp 68.02 46.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -140.54 15.33 2.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.9 148.81 5.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.155 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.67 125.03 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 6.6 p-80 176.42 171.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.585 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 59.9 m95 -78.13 147.81 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -51.45 -50.37 59.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.3 p -68.1 -22.75 64.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 mm-40 -87.05 -6.5 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.4 t -55.12 117.43 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 11.43 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -72.79 150.23 42.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -43.83 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -127.09 167.73 15.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -138.67 -176.33 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.13 150.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.9 t70 61.31 12.56 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.45 42.59 95.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.431 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 29.9 m-80 -84.75 146.71 47.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.04 105.02 2.0 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.788 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 73' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 65' ' ' TYR . 3.8 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 42.4 t -44.47 103.06 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -62.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 62' ' ' LYS . 20.8 p -91.78 -41.38 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 tttp 72.06 48.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -143.22 17.37 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' CYS . . . 166.62 146.85 5.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 74.6 m-85 -79.12 124.46 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.727 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 5.1 p-80 176.28 167.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -73.31 146.58 45.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -49.37 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -66.5 -26.29 67.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.13 -7.96 58.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 40.4 t -51.99 112.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 14.29 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -73.24 150.67 41.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.54 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -127.14 167.67 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.8 p-10 -135.62 -176.22 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.38 151.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.74 12.03 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.86 43.01 96.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.3 m-80 -85.67 148.81 49.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.0 105.67 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 65' ' ' TYR . 13.9 tp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.2 t -94.91 109.66 45.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -74.99 -2.37 12.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -65.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.4 p -86.35 -41.66 14.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.59 41.8 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -135.75 29.05 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.81 -176.33 36.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.427 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 57.2 m-85 -114.67 109.57 18.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.774 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.3 p-80 -169.72 164.88 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.6 m95 -77.22 147.36 36.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -51.35 26.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -64.74 -29.05 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.12 -10.79 57.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.0 t -50.52 119.17 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.82 9.85 24.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.12 161.53 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.03 -44.99 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -125.89 165.08 19.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' LYS . 8.4 p-10 -136.5 -176.4 4.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.9 150.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.48 12.67 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.44 41.89 95.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 30.1 m-80 -84.29 147.34 50.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.01 104.21 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.2 tp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.0 t -49.3 105.65 0.53 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 0.9 8.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -67.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.424 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 29.3 p -82.4 -34.38 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.76 38.49 27.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -129.82 13.29 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.87 167.85 34.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 61.7 m-85 -98.19 112.72 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 4.1 p-80 -177.94 158.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.3 m95 -79.13 144.48 34.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.91 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.6 t -59.34 -34.03 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' CG ' ' HB2' ' A' ' 66' ' ' HIS . 3.5 pt-20 -100.49 -3.91 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.487 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 13.6 t -61.05 115.83 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.62 15.69 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.468 ' CB ' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -54.87 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.064 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -108.87 -52.05 2.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.43 ' N ' HD22 ' A' ' 82' ' ' LEU . 7.3 m-85 -128.23 138.98 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.47 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 7.7 p-10 -127.96 -176.13 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.59 150.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.11 13.16 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.7 42.57 94.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 29.4 m-80 -84.58 136.32 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 2.1 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.445 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 34.8 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 46.3 t -90.96 111.0 45.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -67.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.7 p -81.34 -39.71 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 58' ' ' CYS . 62.4 mttt 60.4 33.32 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -126.85 24.53 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.97 -176.3 40.76 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -113.82 117.49 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.58 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -179.06 159.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.585 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' CYS . 64.7 m95 -72.99 149.1 43.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -49.61 -51.69 35.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.8 p -65.19 -26.31 68.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.38 -11.71 51.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.58 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.8 t -50.58 119.4 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.8 10.81 20.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -74.15 157.61 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.548 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -88.15 -35.68 17.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.548 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 34.0 m-85 -129.98 160.41 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.446 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 8.1 p-10 -134.54 -176.94 4.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' ASP . 18.1 tptt -37.03 151.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.47 12.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 39.85 94.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 31.0 m-80 -82.24 149.58 62.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.6 Cg_endo -74.96 102.13 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 38.8 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 42.4 t -90.46 111.42 47.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -66.94 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.3 p -81.13 -42.14 21.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' CYS . 10.0 mttt 63.7 36.6 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -134.46 31.08 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.65 177.41 32.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -109.29 117.42 34.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.5 p-80 -178.91 160.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' CYS . 91.2 m95 -74.95 149.34 39.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -51.92 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.4 t -65.9 -25.9 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.44 -10.3 54.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 48.1 t -52.91 119.55 4.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.257 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -110.11 9.86 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -72.28 169.12 16.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -39.84 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 86.0 m-85 -125.03 158.42 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.456 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -135.75 -177.0 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' ASP . 15.8 mmtt -36.88 150.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.19 12.95 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.61 40.61 94.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.3 m-80 -83.49 148.7 55.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -74.97 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.4 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.516 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -41.26 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.99 2.65 6.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -63.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.0 p -93.45 -37.9 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.74 50.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.0 14.66 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.82 154.02 7.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -81.12 123.92 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 176.81 171.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.468 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 40.4 m95 -76.28 148.2 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.54 -50.23 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -68.76 -22.28 64.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 7.5 mm-40 -88.03 -3.3 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 52.0 t -57.7 116.65 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.94 11.34 26.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 166.14 20.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.38 -47.22 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.487 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 13.6 m-85 -123.09 156.93 33.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -132.41 -176.15 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 58.9 tttt -37.3 150.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.22 12.83 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.2 44.28 94.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.0 m-80 -87.35 142.14 33.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -75.01 108.01 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.503 ' CD1' ' SG ' ' A' ' 71' ' ' CYS . 4.2 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD12 ' CE1' ' A' ' 65' ' ' TYR . 16.9 tp . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 47.6 t -79.45 113.18 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.5 Cg_endo -75.0 3.36 5.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 28.9 p -79.26 -33.6 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 3.4 pttm 52.4 31.93 10.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -124.43 26.96 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.22 169.31 23.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CE1' HD12 ' A' ' 57' ' ' LEU . 24.7 m-85 -99.38 116.34 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -177.2 156.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' CYS . 83.4 m95 -72.73 150.24 43.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.34 -52.31 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 t -65.67 -25.78 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.88 -11.31 53.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.7 t -50.94 119.45 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 10.38 23.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -77.37 162.02 27.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -37.43 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 46.1 m-85 -128.18 162.12 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.088 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' LYS . 8.0 p-10 -134.62 -176.79 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.05 151.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.4 t70 61.48 12.28 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.08 40.14 95.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 30.4 m-80 -82.33 149.57 62.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -75.0 103.28 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 65' ' ' TYR . 17.2 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 47.7 t -88.44 111.82 46.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.342 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.91 1.1 8.06 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -65.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.93 -39.84 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.278 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER 60.67 41.7 14.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.3 23.21 6.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.5 -173.15 37.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 49.2 m-85 -112.74 108.19 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 2.7 p-80 -167.85 157.05 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.1 m95 -73.46 146.95 44.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -48.22 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.8 p -61.3 -33.46 73.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.19 -12.47 52.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.8 t -46.97 122.21 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.81 11.87 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -68.27 168.93 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -105.15 -40.29 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 41.2 m-85 -125.05 143.33 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -131.14 -176.22 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.09 149.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 60.88 13.48 4.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.97 43.78 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.7 m-80 -87.2 139.92 32.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.01 103.0 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.3 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 90.64 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.12 74.93 0.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.1 tp -65.19 105.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.42 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -43.6 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 108.339 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 1.59 7.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -68.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 31.2 p -83.66 -34.91 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tttp 61.69 43.74 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -133.32 9.62 4.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 168.1 35.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 78.6 m-85 -96.71 118.76 33.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.535 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.3 p-80 178.9 167.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.612 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' CYS . 82.3 m95 -79.59 150.99 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -50.61 60.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -66.26 -23.75 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.98 -7.88 52.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.535 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -58.09 115.01 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.38 9.95 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.5 m -70.5 162.3 29.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -84.75 -44.17 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 61.6 m-85 -128.47 165.62 20.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.4 p-10 -134.53 -176.5 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -37.25 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.6 t70 61.6 11.91 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.2 41.84 96.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.0 m-80 -84.24 149.52 55.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.02 104.54 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -39.16 99.66 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -75.01 157.55 42.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 97.03 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.61 96.95 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.534 HD13 ' CD1' ' A' ' 65' ' ' TYR . 2.4 tp -66.99 107.36 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.414 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 45.0 t -45.97 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.65 7.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -68.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.1 p -83.07 -35.84 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 tttt 61.12 40.53 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -129.74 10.25 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.18 169.46 36.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.534 ' CD1' HD13 ' A' ' 57' ' ' LEU . 29.9 m-85 -97.7 118.92 35.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.8 p-80 179.66 164.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -76.28 150.78 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -51.3 -50.9 58.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -66.61 -23.76 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.83 -7.73 55.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -56.04 118.16 4.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.73 10.36 24.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 m -72.22 160.75 31.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -85.03 -41.38 15.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 52.2 m-85 -128.61 164.14 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.5 p-10 -134.3 -176.44 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -37.32 151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.54 12.15 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.15 41.04 96.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 31.0 m-80 -83.36 149.7 58.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -74.99 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -39.04 99.55 0.2 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -75.03 170.02 21.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.54 5.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.79 -173.78 40.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.7 tp -63.15 107.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 48.6 t -42.94 101.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -64.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 23.3 p -89.7 -38.41 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mttt 67.43 46.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.87 14.95 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.65 152.44 7.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 82.9 m-85 -83.53 120.68 26.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.577 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.7 p-80 179.3 173.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -82.47 149.07 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.59 62.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 p -66.2 -24.79 66.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -89.77 -7.08 55.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.577 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.8 t -52.73 116.86 2.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 11.43 23.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -73.94 154.77 39.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -54.22 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.504 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 20.0 m-85 -116.05 158.1 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -132.81 -175.94 3.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -37.28 150.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 61.07 13.03 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.06 44.53 94.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.443 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.1 m-80 -87.47 142.53 33.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.582 0.813 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -74.97 103.16 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -38.92 99.48 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.1 Cg_endo -75.03 166.71 28.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' N ' ' HA ' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.97 60.69 5.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.539 1.81 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.89 -167.56 29.69 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp -53.74 108.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.541 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.6 t -41.94 101.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.96 2.06 7.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 20.8 p -89.54 -37.59 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttt 66.74 47.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 13.7 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.16 156.33 10.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 77.1 m-85 -85.27 125.86 33.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.541 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.0 p-80 175.79 169.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 55' ' ' PRO . 38.9 m95 -75.35 148.68 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -68.39 -22.28 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 6.1 mm-40 -86.3 -5.05 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.473 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 54.1 t -57.54 114.14 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -106.39 12.85 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -75.07 148.09 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.576 ' CE2' ' O ' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -124.63 167.38 14.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -137.99 -176.13 4.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -37.13 150.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.4 t0 61.19 12.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 75' ' ' PHE . . . 58.19 43.2 95.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.435 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 29.5 m-80 -85.35 146.06 43.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 0.2 OUTLIER -38.92 99.47 0.19 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.2 Cg_endo -75.01 171.87 17.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 18.4 Cg_endo -75.02 -72.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.4 65.72 2.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.3 tp -66.68 106.77 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.2 t -43.41 102.46 0.28 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.63 7.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -68.11 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.15 -35.15 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.91 44.28 8.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -134.51 11.0 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.22 167.27 32.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -95.91 121.92 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 177.89 174.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -84.54 149.91 25.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 108.013 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -53.08 -49.51 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -67.43 -20.05 65.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -95.08 -6.26 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.6 t -52.78 115.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.64 12.41 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.4 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -71.7 -179.95 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 48.1 m-85 -132.76 154.07 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -121.59 -177.49 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.89 153.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 62.61 10.05 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.86 38.28 95.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 27.6 m-80 -77.91 138.58 61.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.74 22.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.441 ' N ' HD11 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -107.28 157.66 34.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.54 22.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.451 1.764 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.003 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.72 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.46 58.23 3.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp -67.12 108.31 2.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.74 105.98 0.58 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.61 7.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -66.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.9 p -83.38 -36.82 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 59.89 37.5 21.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -124.45 11.81 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.91 170.3 34.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -97.64 116.41 29.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.2 p-80 -178.06 157.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 71' ' ' CYS . 57.8 m95 -75.54 148.65 38.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.31 -45.24 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 t -60.05 -29.06 68.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.55 -11.54 29.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 42.0 t -52.4 121.32 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 11.0 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.21 169.5 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.46 -43.53 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.503 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 36.4 m-85 -125.88 147.19 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.468 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -133.77 -176.83 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 1.3 tptm -36.78 149.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.02 13.21 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.14 42.55 95.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.446 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.8 m-80 -85.59 141.56 36.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.1 mm? -38.57 99.23 0.19 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.5 Cg_endo -74.97 173.33 14.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.48 ' N ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.87 34.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.88 -172.73 45.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD12 ' CD1' ' A' ' 65' ' ' TYR . 2.6 tp -63.2 108.06 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.4 t -42.67 101.92 0.26 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . 18.3 Cg_endo -75.05 1.75 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -86.98 -65.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 22.6 p -88.08 -37.24 16.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' CD ' ' HA ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 65.55 46.94 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -138.89 13.99 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.85 157.01 11.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.518 ' CD1' HD12 ' A' ' 57' ' ' LEU . 52.1 m-85 -87.09 123.0 31.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.552 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.4 p-80 177.17 171.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.48 ' CZ2' ' N ' ' A' ' 54' ' ' PRO . 54.5 m95 -78.75 149.85 32.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.98 -50.3 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -68.57 -18.74 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.95 -5.45 50.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.552 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -54.78 116.57 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -106.86 9.93 30.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.53 151.86 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 4.0 pttt -73.75 -44.7 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 41.5 m-85 -125.23 167.25 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -138.61 -176.15 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 17.0 pttm -37.08 150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.3 t0 61.16 12.86 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.26 42.68 95.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 28.6 m-80 -84.51 145.09 44.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.04 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.439 1.757 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -38.99 99.52 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -75.03 113.54 3.81 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.528 1.804 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 65' ' ' TYR . 18.4 Cg_endo -75.01 -42.85 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.54 84.6 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.6 tp -68.98 108.15 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -47.45 104.94 0.44 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.69 7.47 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -90.28 -67.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 29.3 p -82.58 -35.78 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 108.313 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.5 38.82 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.73 10.52 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.09 168.39 35.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 70.3 m-85 -97.68 116.97 30.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.2 p-80 -179.34 163.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 89.6 m95 -77.83 151.88 33.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -52.27 -50.95 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.1 p -66.66 -19.88 65.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.937 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.58 -9.02 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.564 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.6 t -56.79 116.35 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 11.41 28.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.3 m -71.52 170.36 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -96.03 -41.23 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.8 163.83 24.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.7 p-10 -134.69 -176.21 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.3 ptpp? -37.1 151.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.2 t0 61.26 12.71 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 40.49 95.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.44 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 28.2 m-80 -82.36 149.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -74.95 103.35 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -38.77 99.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -74.99 113.44 3.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.2 4.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.551 1.816 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.52 119.02 1.63 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.478 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 1.8 tp -64.64 105.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 45.3 t -47.21 104.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.92 6.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 30.6 p -83.9 -27.69 28.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 5.1 pttt 51.4 38.16 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 16.21 5.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.43 169.51 33.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 76.8 m-85 -100.77 116.11 31.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.531 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -179.41 166.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.0 m95 -81.01 149.23 29.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -52.73 -45.75 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 p -62.07 -29.03 70.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.48 -8.98 39.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.531 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.7 t -55.41 121.67 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -118.93 12.05 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -178.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -112.92 -44.51 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' N ' HD22 ' A' ' 82' ' ' LEU . 4.4 m-85 -130.58 135.03 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.9 p-10 -124.63 -176.15 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ASP . 32.7 mtpt -36.27 150.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.4 t70 61.09 13.11 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.91 41.53 94.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 28.2 m-80 -82.82 134.85 46.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 75' ' ' PHE . 1.7 mm? -40.15 159.18 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.09 39.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.639 ' N ' ' CH2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 70.46 5.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.61 -172.23 15.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.6 tp -61.77 108.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 52.9 t -41.6 100.96 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 1.88 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -65.37 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 p -90.23 -36.96 14.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mttp 66.59 48.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -138.76 14.03 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.63 157.5 10.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -86.04 124.44 32.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.3 p-80 176.5 168.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.639 ' CH2' ' N ' ' A' ' 54' ' ' PRO . 36.4 m95 -75.61 149.37 38.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.028 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.76 -50.42 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -68.98 -18.87 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.464 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 31.4 mm-40 -91.21 -4.72 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.469 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.3 t -61.17 116.2 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.64 12.22 24.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.52 170.8 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 -43.7 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.53 141.37 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.473 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 7.8 p-10 -126.3 -175.93 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.73 150.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.7 t70 61.25 13.1 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.73 43.08 94.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.438 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 29.3 m-80 -85.08 136.61 38.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.759 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.96 99.37 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 1.8 mm? -40.11 158.86 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.51 3.81 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.464 1.77 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 18.2 Cg_endo -75.01 -168.97 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.41 56.21 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.5 tp -69.14 107.88 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.07 106.44 0.64 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -67.96 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.2 p -81.37 -36.6 29.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.48 36.35 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -126.48 13.34 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.83 170.56 36.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 76.5 m-85 -100.65 113.75 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -174.64 167.51 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.4 m95 -81.38 150.31 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.47 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 t -64.16 -27.3 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.83 -10.01 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 47.6 t -50.98 120.74 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -113.66 9.68 17.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.14 159.26 34.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -35.94 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 26.7 m-85 -145.09 158.3 43.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 77' ' ' LYS . 12.2 p-10 -133.97 -176.72 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -36.33 151.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.0 t70 61.26 12.45 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 37.88 91.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.432 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 24.9 m-80 -77.73 142.89 66.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.36 21.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -108.61 154.78 41.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.45 40.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.618 ' N ' ' CE3' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.99 66.12 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.02 -166.24 20.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 tp -49.23 109.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 0.804 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.546 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -45.99 103.96 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.262 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.54 7.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.78 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -87.34 -64.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 25.5 p -89.87 -39.06 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 108.29 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp 68.02 46.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -140.54 15.33 2.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.9 148.81 5.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.155 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.67 125.03 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 6.6 p-80 176.42 171.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.585 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.618 ' CE3' ' N ' ' A' ' 54' ' ' PRO . 59.9 m95 -78.13 147.81 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -51.45 -50.37 59.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.3 p -68.1 -22.75 64.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 mm-40 -87.05 -6.5 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.463 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.4 t -55.12 117.43 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 11.43 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -72.79 150.23 42.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -43.83 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -127.09 167.73 15.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 77' ' ' LYS . 0.9 OUTLIER -138.67 -176.33 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.13 150.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.9 t70 61.31 12.56 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.45 42.59 95.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.431 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 29.9 m-80 -84.75 146.71 47.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -75.04 105.02 2.0 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.788 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 73' ' ' SER . 0.2 OUTLIER -39.23 99.67 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -75.02 157.15 42.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.65 ' N ' ' CH2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.417 ' HB3' ' NE1' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.05 173.76 13.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.803 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.56 -168.25 25.27 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 65' ' ' TYR . 3.8 tp -48.62 111.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 42.4 t -44.47 103.06 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -62.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 62' ' ' LYS . 20.8 p -91.78 -41.38 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 tttp 72.06 48.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -143.22 17.37 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' CYS . . . 166.62 146.85 5.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 74.6 m-85 -79.12 124.46 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.727 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 5.1 p-80 176.28 167.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.65 ' CH2' ' N ' ' A' ' 54' ' ' PRO . 38.6 m95 -73.31 146.58 45.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -49.37 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -66.5 -26.29 67.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.13 -7.96 58.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 40.4 t -51.99 112.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 14.29 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -73.24 150.67 41.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.54 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -127.14 167.67 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.8 p-10 -135.62 -176.22 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.38 151.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.74 12.03 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.86 43.01 96.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.3 m-80 -85.67 148.81 49.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.0 105.67 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -39.54 99.91 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -74.93 113.46 3.8 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.544 1.812 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.54 1.811 . . . . 0.0 111.035 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 102.87 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' HIS . . . -119.51 91.46 0.5 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 65' ' ' TYR . 13.9 tp -49.86 139.3 13.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.2 t -94.91 109.66 45.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -74.99 -2.37 12.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -65.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.4 p -86.35 -41.66 14.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.59 41.8 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -135.75 29.05 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.81 -176.33 36.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.427 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 57.2 m-85 -114.67 109.57 18.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.774 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.3 p-80 -169.72 164.88 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.6 m95 -77.22 147.36 36.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -51.35 26.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -64.74 -29.05 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.12 -10.79 57.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.0 t -50.52 119.17 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.82 9.85 24.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.12 161.53 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.03 -44.99 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -125.89 165.08 19.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' LYS . 8.4 p-10 -136.5 -176.4 4.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.9 150.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.48 12.67 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.44 41.89 95.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 30.1 m-80 -84.29 147.34 50.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.01 104.21 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -38.74 99.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.2 Cg_endo -75.05 161.59 38.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.46 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.88 57.1 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.2 tp -66.16 106.7 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.0 t -49.3 105.65 0.53 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 0.9 8.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -67.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.424 ' HA ' ' CB ' ' A' ' 76' ' ' ASP . 29.3 p -82.4 -34.38 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.76 38.49 27.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -129.82 13.29 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.87 167.85 34.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 61.7 m-85 -98.19 112.72 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 4.1 p-80 -177.94 158.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.3 m95 -79.13 144.48 34.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.91 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.6 t -59.34 -34.03 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' CG ' ' HB2' ' A' ' 66' ' ' HIS . 3.5 pt-20 -100.49 -3.91 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.487 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 13.6 t -61.05 115.83 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.62 15.69 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.468 ' CB ' ' HG ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -54.87 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.064 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -108.87 -52.05 2.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.43 ' N ' HD22 ' A' ' 82' ' ' LEU . 7.3 m-85 -128.23 138.98 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.47 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 7.7 p-10 -127.96 -176.13 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.59 150.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.11 13.16 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.7 42.57 94.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 29.4 m-80 -84.58 136.32 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 2.1 mm? -39.77 158.29 0.14 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 164.47 33.3 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.554 1.818 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 139.65 24.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.552 1.817 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.99 55.7 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.445 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 34.8 tp -62.05 143.76 56.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 46.3 t -90.96 111.0 45.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.347 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -67.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.7 p -81.34 -39.71 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 58' ' ' CYS . 62.4 mttt 60.4 33.32 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -126.85 24.53 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.97 -176.3 40.76 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -113.82 117.49 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.58 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -179.06 159.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.585 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' CYS . 64.7 m95 -72.99 149.1 43.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -49.61 -51.69 35.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.8 p -65.19 -26.31 68.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.38 -11.71 51.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.58 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.8 t -50.58 119.4 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.8 10.81 20.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -74.15 157.61 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.548 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -88.15 -35.68 17.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.548 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 34.0 m-85 -129.98 160.41 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 8.1 p-10 -134.54 -176.94 4.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' ASP . 18.1 tptt -37.03 151.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.47 12.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 39.85 94.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.446 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 31.0 m-80 -82.24 149.58 62.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.6 Cg_endo -74.96 102.13 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -38.78 99.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -74.97 158.0 42.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.566 1.824 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.554 ' HB2' ' CD2' ' A' ' 65' ' ' TYR . 18.3 Cg_endo -74.98 -82.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.48 100.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 38.8 tp -62.57 142.98 57.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 42.4 t -90.46 111.42 47.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -66.94 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 28.3 p -81.13 -42.14 21.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' CYS . 10.0 mttt 63.7 36.6 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -134.46 31.08 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.65 177.41 32.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 55' ' ' PRO . 52.8 m-85 -109.29 117.42 34.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.5 p-80 -178.91 160.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' CYS . 91.2 m95 -74.95 149.34 39.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -51.92 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.4 t -65.9 -25.9 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.44 -10.3 54.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 48.1 t -52.91 119.55 4.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.257 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -110.11 9.86 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -72.28 169.12 16.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -39.84 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 86.0 m-85 -125.03 158.42 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.456 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -135.75 -177.0 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' ASP . 15.8 mmtt -36.88 150.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.19 12.95 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.61 40.61 94.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.3 m-80 -83.49 148.7 55.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -74.97 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -38.77 99.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.2 Cg_endo -74.99 164.91 32.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.646 ' N ' ' CZ3' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HB3' ' NE1' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.95 -164.75 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.38 -165.94 26.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.4 tp -51.99 107.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 0.763 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.516 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -41.26 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.99 2.65 6.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -63.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.0 p -93.45 -37.9 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.326 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.74 50.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.0 14.66 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.82 154.02 7.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -81.12 123.92 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.541 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 176.81 171.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.646 ' CZ3' ' N ' ' A' ' 54' ' ' PRO . 40.4 m95 -76.28 148.2 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.54 -50.23 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -68.76 -22.28 64.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 7.5 mm-40 -88.03 -3.3 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 52.0 t -57.7 116.65 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.94 11.34 26.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 166.14 20.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.38 -47.22 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.487 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 13.6 m-85 -123.09 156.93 33.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -132.41 -176.15 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 58.9 tttt -37.3 150.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.49 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 2.2 t70 61.22 12.83 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.2 44.28 94.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.0 m-80 -87.35 142.14 33.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -75.01 108.01 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.503 ' CD1' ' SG ' ' A' ' 71' ' ' CYS . 4.2 mm? -39.79 151.18 0.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.446 ' CD ' HD12 ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.94 155.23 43.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.792 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.66 23.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.85 -174.31 13.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD12 ' CE1' ' A' ' 65' ' ' TYR . 16.9 tp -61.0 134.95 57.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 47.6 t -79.45 113.18 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.5 Cg_endo -75.0 3.36 5.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 28.9 p -79.26 -33.6 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 3.4 pttm 52.4 31.93 10.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -124.43 26.96 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.22 169.31 23.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.566 ' CE1' HD12 ' A' ' 57' ' ' LEU . 24.7 m-85 -99.38 116.34 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -177.2 156.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' CYS . 83.4 m95 -72.73 150.24 43.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.34 -52.31 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 t -65.67 -25.78 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.88 -11.31 53.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.7 t -50.94 119.45 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 10.38 23.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -77.37 162.02 27.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -37.43 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 46.1 m-85 -128.18 162.12 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.088 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 77' ' ' LYS . 8.0 p-10 -134.62 -176.79 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.05 151.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.4 t70 61.48 12.28 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.08 40.14 95.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 30.4 m-80 -82.33 149.57 62.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -75.0 103.28 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -38.83 99.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -75.01 157.22 42.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.9 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.811 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' HIS . . . -104.79 145.51 15.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 65' ' ' TYR . 17.2 tp -57.95 138.83 55.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 47.7 t -88.44 111.82 46.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.342 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.91 1.1 8.06 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -65.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 32.1 p -85.93 -39.84 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.278 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER 60.67 41.7 14.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.3 23.21 6.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.5 -173.15 37.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 49.2 m-85 -112.74 108.19 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.57 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 2.7 p-80 -167.85 157.05 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.1 m95 -73.46 146.95 44.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -48.22 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.8 p -61.3 -33.46 73.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.19 -12.47 52.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.8 t -46.97 122.21 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.81 11.87 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -68.27 168.93 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -105.15 -40.29 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 41.2 m-85 -125.05 143.33 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -131.14 -176.22 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.09 149.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 60.88 13.48 4.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.97 43.78 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.7 m-80 -87.2 139.92 32.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.01 103.0 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.3 mm? -40.38 159.42 0.14 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.43 ' CD ' HD12 ' A' ' 82' ' ' LEU . 18.5 Cg_endo -74.97 155.78 43.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.1 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -43.6 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 108.339 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 1.59 7.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -68.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 31.2 p -83.66 -34.91 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tttp 61.69 43.74 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -133.32 9.62 4.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 168.1 35.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 78.6 m-85 -96.71 118.76 33.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.3 p-80 178.9 167.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.612 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' CYS . 82.3 m95 -79.59 150.99 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -50.61 60.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -66.26 -23.75 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.98 -7.88 52.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -58.09 115.01 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.38 9.95 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.5 m -70.5 162.3 29.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -84.75 -44.17 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 61.6 m-85 -128.47 165.62 20.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.4 p-10 -134.53 -176.5 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -37.25 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.6 t70 61.6 11.91 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.2 41.84 96.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.1 m120 -84.24 149.52 55.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.02 104.54 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 65' ' ' TYR . 2.4 tp . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.413 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 45.0 t -45.97 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.65 7.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -68.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 30.1 p -83.07 -35.84 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 tttt 61.12 40.53 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -129.74 10.25 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 174.18 169.46 36.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' HD13 ' A' ' 57' ' ' LEU . 29.9 m-85 -97.7 118.92 35.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.8 p-80 179.66 164.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -76.28 150.78 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -51.3 -50.9 58.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -66.61 -23.76 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.83 -7.73 55.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -56.04 118.16 4.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.73 10.36 24.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 m -72.22 160.75 31.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -85.03 -41.38 15.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 52.2 m-85 -128.61 164.14 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.5 p-10 -134.3 -176.44 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -37.32 151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.54 12.15 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.15 41.04 96.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.1 m120 -83.36 149.7 58.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.99 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.7 tp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 48.6 t -42.94 101.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -64.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 23.3 p -89.7 -38.41 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mttt 67.43 46.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.87 14.95 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.65 152.44 7.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 82.9 m-85 -83.53 120.68 26.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.7 p-80 179.3 173.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -82.47 149.07 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.59 62.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 p -66.2 -24.79 66.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -89.77 -7.08 55.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.8 t -52.73 116.86 2.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 11.43 23.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -73.94 154.77 39.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -54.22 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.504 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 20.0 m-85 -116.05 158.1 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -132.81 -175.94 3.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -37.28 150.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 61.07 13.03 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.06 44.53 94.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.443 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.1 m-80 -87.47 142.53 33.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.582 0.813 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -74.97 103.16 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.529 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.404 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.542 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.6 t -41.94 101.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.96 2.06 7.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 20.8 p -89.54 -37.59 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttt 66.74 47.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 13.7 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.16 156.33 10.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 77.1 m-85 -85.27 125.86 33.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.0 p-80 175.79 169.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 38.9 m95 -75.35 148.68 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -68.39 -22.28 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 6.1 mm-40 -86.3 -5.05 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.454 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 54.1 t -57.54 114.14 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -106.39 12.85 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -75.07 148.09 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.576 ' CE2' ' O ' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -124.63 167.38 14.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.519 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -137.99 -176.13 4.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -37.13 150.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.4 t0 61.19 12.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 75' ' ' PHE . . . 58.19 43.2 95.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.435 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 29.5 m-80 -85.35 146.06 43.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.3 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.2 t -43.41 102.46 0.28 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.63 7.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -68.11 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.15 -35.15 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.91 44.28 8.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -134.51 11.0 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 173.22 167.27 32.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -95.91 121.92 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 177.89 174.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -84.54 149.91 25.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 108.013 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -53.08 -49.51 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -67.43 -20.05 65.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -95.08 -6.26 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.6 t -52.78 115.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.64 12.41 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.7 -179.95 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.454 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 48.1 m-85 -132.76 154.07 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -121.59 -177.49 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.89 153.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 62.61 10.05 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.86 38.28 95.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.454 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.1 m120 -77.91 138.58 61.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.74 22.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.546 HD23 ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.74 105.98 0.58 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.61 7.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -66.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.9 p -83.38 -36.82 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 59.89 37.5 21.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -124.45 11.81 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.91 170.3 34.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -97.64 116.41 29.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.2 p-80 -178.06 157.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 71' ' ' CYS . 57.8 m95 -75.54 148.65 38.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.31 -45.24 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 t -60.05 -29.06 68.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.55 -11.54 29.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 42.0 t -52.4 121.32 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 11.0 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.21 169.5 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.46 -43.53 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.503 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 36.4 m-85 -125.88 147.19 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.469 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -133.77 -176.83 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 1.3 tptm -36.78 149.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.02 13.21 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.14 42.55 95.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.1 m120 -85.59 141.56 36.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.1 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.514 HD13 ' CD1' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.4 t -42.67 101.92 0.26 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . 18.3 Cg_endo -75.05 1.75 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -86.98 -65.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 22.6 p -88.08 -37.24 16.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.505 ' CD ' ' HA ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 65.55 46.94 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -138.89 13.99 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.85 157.01 11.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.514 ' CD1' HD13 ' A' ' 57' ' ' LEU . 52.1 m-85 -87.09 123.0 31.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.4 p-80 177.17 171.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -78.75 149.85 32.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.98 -50.3 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -68.57 -18.74 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.95 -5.45 50.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -54.78 116.57 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -106.86 9.93 30.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.53 151.86 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 4.0 pttt -73.75 -44.7 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 41.5 m-85 -125.23 167.25 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.512 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -138.61 -176.15 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 17.0 pttm -37.08 150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.481 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.3 t0 61.16 12.86 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.26 42.68 95.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 28.6 m-80 -84.51 145.09 44.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.04 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.439 1.757 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -47.45 104.94 0.44 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.69 7.47 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -90.28 -67.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 29.3 p -82.58 -35.78 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.5 38.82 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.73 10.52 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.09 168.39 35.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 70.3 m-85 -97.68 116.97 30.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.2 p-80 -179.34 163.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 89.6 m95 -77.83 151.88 33.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -52.27 -50.95 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.1 p -66.66 -19.88 65.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.937 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.58 -9.02 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.548 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.6 t -56.79 116.35 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 11.41 28.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.3 m -71.52 170.36 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -96.03 -41.23 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 4.9 m-85 -128.8 163.83 24.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.7 p-10 -134.69 -176.21 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.3 ptpp? -37.1 151.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.2 t0 61.26 12.71 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 40.49 95.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 28.2 m-80 -82.36 149.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.95 103.35 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.479 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 1.8 tp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 45.3 t -47.21 104.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.92 6.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 30.6 p -83.9 -27.69 28.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 5.1 pttt 51.4 38.16 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 16.21 5.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.418 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 170.43 169.51 33.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 76.8 m-85 -100.77 116.11 31.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -179.41 166.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.0 m95 -81.01 149.23 29.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -52.73 -45.75 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 p -62.07 -29.03 70.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.48 -8.98 39.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.7 t -55.41 121.67 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -118.93 12.05 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.406 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -60.25 -178.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 12.9 mttp -112.92 -44.51 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 4.4 m-85 -130.58 135.03 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.9 p-10 -124.63 -176.15 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ASP . 32.7 mtpt -36.27 150.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.4 t70 61.09 13.11 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.91 41.53 94.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.4 m120 -82.82 134.85 46.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 82' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.6 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 52.9 t -41.6 100.96 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 1.88 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -65.37 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 18.4 p -90.23 -36.96 14.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mttp 66.59 48.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -138.76 14.03 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.63 157.5 10.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -86.04 124.44 32.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.3 p-80 176.5 168.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.465 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 36.4 m95 -75.61 149.37 38.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.028 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.76 -50.42 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -68.98 -18.87 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 31.4 mm-40 -91.21 -4.72 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.454 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.3 t -61.17 116.2 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.64 12.22 24.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.52 170.8 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 -43.7 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 21.0 m-85 -125.53 141.37 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.761 ' HB3' HD21 ' A' ' 82' ' ' LEU . 7.8 p-10 -126.3 -175.93 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.73 150.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.7 t70 61.25 13.1 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.73 43.08 94.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.6 m120 -85.08 136.61 38.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.759 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.96 99.37 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 76' ' ' ASP . 1.8 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.5 tp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.07 106.44 0.64 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -67.96 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.2 p -81.37 -36.6 29.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.48 36.35 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -126.48 13.34 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 172.83 170.56 36.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 76.5 m-85 -100.65 113.75 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -174.64 167.51 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.4 m95 -81.38 150.31 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.47 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 t -64.16 -27.3 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.83 -10.01 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 47.6 t -50.98 120.74 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -113.66 9.68 17.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.465 ' HB2' HD23 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -70.14 159.26 34.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -35.94 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.496 ' C ' HD22 ' A' ' 82' ' ' LEU . 26.7 m-85 -145.09 158.3 43.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.786 ' HB3' HD21 ' A' ' 82' ' ' LEU . 12.2 p-10 -133.97 -176.72 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -36.33 151.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.0 t70 61.26 12.45 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 37.88 91.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 7.5 m120 -77.73 142.89 66.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.36 21.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -45.99 103.96 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.262 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.54 7.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.78 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -87.34 -64.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 25.5 p -89.87 -39.06 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 108.29 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp 68.02 46.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -140.54 15.33 2.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.9 148.81 5.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.155 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.67 125.03 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 6.6 p-80 176.42 171.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.585 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 59.9 m95 -78.13 147.81 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -51.45 -50.37 59.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.3 p -68.1 -22.75 64.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 mm-40 -87.05 -6.5 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.4 t -55.12 117.43 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 11.43 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -72.79 150.23 42.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -43.83 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 14.4 m-85 -127.09 167.73 15.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.555 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -138.67 -176.33 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.13 150.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.9 t70 61.31 12.56 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.45 42.59 95.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.8 m120 -84.75 146.71 47.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.04 105.02 2.0 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.788 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 65' ' ' TYR . 3.8 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 42.4 t -44.47 103.06 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -62.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 20.8 p -91.78 -41.38 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 tttp 72.06 48.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -143.22 17.37 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' CYS . . . 166.62 146.85 5.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 74.6 m-85 -79.12 124.46 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.727 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 5.1 p-80 176.28 167.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -73.31 146.58 45.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -49.37 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -66.5 -26.29 67.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.13 -7.96 58.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 40.4 t -51.99 112.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 14.29 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -73.24 150.67 41.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.54 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.441 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 73.9 m-85 -127.14 167.67 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.8 p-10 -135.62 -176.22 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.38 151.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.74 12.03 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.86 43.01 96.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.2 m120 -85.67 148.81 49.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.0 105.67 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 64' ' ' GLY . 13.9 tp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.2 t -94.91 109.66 45.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -74.99 -2.37 12.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -65.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 30.4 p -86.35 -41.66 14.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.59 41.8 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -135.75 29.05 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.651 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 159.81 -176.33 36.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.427 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 57.2 m-85 -114.67 109.57 18.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.774 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.3 p-80 -169.72 164.88 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.6 m95 -77.22 147.36 36.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -51.35 26.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -64.74 -29.05 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.12 -10.79 57.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.0 t -50.52 119.17 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.82 9.85 24.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.12 161.53 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.03 -44.99 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 67.8 m-85 -125.89 165.08 19.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' LYS . 8.4 p-10 -136.5 -176.4 4.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.9 150.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.48 12.67 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.44 41.89 95.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.9 m120 -84.29 147.34 50.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.01 104.21 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.2 tp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.0 t -49.3 105.65 0.53 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 0.9 8.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -67.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 29.3 p -82.4 -34.38 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.76 38.49 27.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -129.82 13.29 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.87 167.85 34.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 61.7 m-85 -98.19 112.72 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 4.1 p-80 -177.94 158.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.3 m95 -79.13 144.48 34.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.91 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.6 t -59.34 -34.03 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' CG ' ' HB2' ' A' ' 66' ' ' HIS . 3.5 pt-20 -100.49 -3.91 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 13.6 t -61.05 115.83 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.62 15.69 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.485 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -54.87 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.064 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 22.8 mttt -108.87 -52.05 2.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 7.3 m-85 -128.23 138.98 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.772 ' HB3' HD21 ' A' ' 82' ' ' LEU . 7.7 p-10 -127.96 -176.13 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.59 150.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.11 13.16 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.7 42.57 94.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.7 m120 -84.58 136.32 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.98 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 76' ' ' ASP . 2.1 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 64' ' ' GLY . 34.8 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.3 t -90.96 111.0 45.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.347 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -67.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 27.7 p -81.34 -39.71 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 60.4 33.32 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -126.85 24.53 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.74 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 164.97 -176.3 40.76 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -113.82 117.49 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -179.06 159.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.585 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' CYS . 64.7 m95 -72.99 149.1 43.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -49.61 -51.69 35.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.8 p -65.19 -26.31 68.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.38 -11.71 51.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.8 t -50.58 119.4 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.8 10.81 20.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -74.15 157.61 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.548 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -88.15 -35.68 17.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.548 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 34.0 m-85 -129.98 160.41 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.557 ' HB3' HD22 ' A' ' 82' ' ' LEU . 8.1 p-10 -134.54 -176.94 4.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' ASP . 18.1 tptt -37.03 151.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.47 12.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 39.85 94.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.1 m120 -82.24 149.58 62.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.6 Cg_endo -74.96 102.13 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 64' ' ' GLY . 38.8 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.4 t -90.46 111.42 47.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -66.94 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.3 p -81.13 -42.14 21.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.0 mttt 63.7 36.6 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -134.46 31.08 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.506 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 159.65 177.41 32.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -109.29 117.42 34.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.5 p-80 -178.91 160.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' CYS . 91.2 m95 -74.95 149.34 39.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -51.92 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.4 t -65.9 -25.9 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.44 -10.3 54.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 48.1 t -52.91 119.55 4.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.257 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -110.11 9.86 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -72.28 169.12 16.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -39.84 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 86.0 m-85 -125.03 158.42 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.706 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -135.75 -177.0 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' ASP . 15.8 mmtt -36.88 150.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.19 12.95 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.61 40.61 94.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.2 m120 -83.49 148.7 55.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -74.97 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.4 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.516 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -41.26 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.99 2.65 6.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -63.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 15.0 p -93.45 -37.9 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.74 50.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.0 14.66 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.82 154.02 7.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -81.12 123.92 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 176.81 171.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.468 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 40.4 m95 -76.28 148.2 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.54 -50.23 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -68.76 -22.28 64.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 7.5 mm-40 -88.03 -3.3 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.683 ' SG ' HD11 ' A' ' 82' ' ' LEU . 52.0 t -57.7 116.65 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.94 11.34 26.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 166.14 20.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.38 -47.22 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.487 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 13.6 m-85 -123.09 156.93 33.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.471 ' HA ' ' HA ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -132.41 -176.15 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 58.9 tttt -37.3 150.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.22 12.83 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.2 44.28 94.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.1 m120 -87.35 142.14 33.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -75.01 108.01 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.683 HD11 ' SG ' ' A' ' 71' ' ' CYS . 4.2 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 65' ' ' TYR . 16.9 tp . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 47.6 t -79.45 113.18 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.5 Cg_endo -75.0 3.36 5.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 28.9 p -79.26 -33.6 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 3.4 pttm 52.4 31.93 10.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -124.43 26.96 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.22 169.31 23.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CE1' HD13 ' A' ' 57' ' ' LEU . 24.7 m-85 -99.38 116.34 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -177.2 156.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' CYS . 83.4 m95 -72.73 150.24 43.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.34 -52.31 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 t -65.67 -25.78 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.88 -11.31 53.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.7 t -50.94 119.45 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 10.38 23.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -77.37 162.02 27.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -37.43 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 46.1 m-85 -128.18 162.12 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.088 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.484 ' HB3' HD22 ' A' ' 82' ' ' LEU . 8.0 p-10 -134.62 -176.79 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.05 151.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.4 t70 61.48 12.28 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.08 40.14 95.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.444 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.0 m120 -82.33 149.57 62.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -75.0 103.28 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 64' ' ' GLY . 17.2 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.7 t -88.44 111.82 46.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.342 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.91 1.1 8.06 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -65.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 32.1 p -85.93 -39.84 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.278 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.67 41.7 14.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.3 23.21 6.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.704 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 160.5 -173.15 37.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 49.2 m-85 -112.74 108.19 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 2.7 p-80 -167.85 157.05 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.1 m95 -73.46 146.95 44.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -48.22 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.8 p -61.3 -33.46 73.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.19 -12.47 52.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.8 t -46.97 122.21 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.81 11.87 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -68.27 168.93 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 39.1 tttt -105.15 -40.29 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 41.2 m-85 -125.05 143.33 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -131.14 -176.22 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.09 149.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 60.88 13.48 4.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.97 43.78 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.7 m-80 -87.2 139.92 32.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.01 103.0 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.3 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 90.64 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.12 74.93 0.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.1 tp -65.19 105.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -43.6 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 108.339 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 1.59 7.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -68.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 31.2 p -83.66 -34.91 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tttp 61.69 43.74 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -133.32 9.62 4.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 168.1 35.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 78.6 m-85 -96.71 118.76 33.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.3 p-80 178.9 167.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.612 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' CYS . 82.3 m95 -79.59 150.99 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -50.61 60.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -66.26 -23.75 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.98 -7.88 52.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -58.09 115.01 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.38 9.95 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.5 m -70.5 162.3 29.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -84.75 -44.17 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 61.6 m-85 -128.47 165.62 20.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.4 p-10 -134.53 -176.5 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -37.25 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.6 t70 61.6 11.91 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.2 41.84 96.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.443 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.1 m120 -84.24 149.52 55.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.02 104.54 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -39.16 99.66 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -75.01 157.55 42.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 97.03 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.61 96.95 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 65' ' ' TYR . 2.4 tp -66.99 107.36 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.413 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 45.0 t -45.97 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.65 7.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -68.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 30.1 p -83.07 -35.84 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 tttt 61.12 40.53 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -129.74 10.25 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 174.18 169.46 36.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' HD13 ' A' ' 57' ' ' LEU . 29.9 m-85 -97.7 118.92 35.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.8 p-80 179.66 164.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -76.28 150.78 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -51.3 -50.9 58.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -66.61 -23.76 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.83 -7.73 55.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -56.04 118.16 4.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.73 10.36 24.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 m -72.22 160.75 31.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -85.03 -41.38 15.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 52.2 m-85 -128.61 164.14 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.5 p-10 -134.3 -176.44 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -37.32 151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.54 12.15 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.15 41.04 96.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.1 m120 -83.36 149.7 58.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -74.99 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -39.04 99.55 0.2 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -75.03 170.02 21.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.54 5.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.79 -173.78 40.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.7 tp -63.15 107.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 48.6 t -42.94 101.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -64.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 23.3 p -89.7 -38.41 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mttt 67.43 46.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.87 14.95 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.65 152.44 7.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 82.9 m-85 -83.53 120.68 26.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.7 p-80 179.3 173.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -82.47 149.07 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.59 62.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 p -66.2 -24.79 66.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -89.77 -7.08 55.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.8 t -52.73 116.86 2.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 11.43 23.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -73.94 154.77 39.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -54.22 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.504 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 20.0 m-85 -116.05 158.1 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -132.81 -175.94 3.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -37.28 150.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 61.07 13.03 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.06 44.53 94.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.443 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.1 m-80 -87.47 142.53 33.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.582 0.813 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -74.97 103.16 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.529 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.8 OUTLIER -38.92 99.48 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.1 Cg_endo -75.03 166.71 28.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.438 ' N ' ' HA ' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.97 60.69 5.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.539 1.81 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.89 -167.56 29.69 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp -53.74 108.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.542 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.6 t -41.94 101.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.96 2.06 7.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 20.8 p -89.54 -37.59 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttt 66.74 47.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 13.7 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.16 156.33 10.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 77.1 m-85 -85.27 125.86 33.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.0 p-80 175.79 169.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 55' ' ' PRO . 38.9 m95 -75.35 148.68 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -68.39 -22.28 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 6.1 mm-40 -86.3 -5.05 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.454 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 54.1 t -57.54 114.14 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -106.39 12.85 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -75.07 148.09 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.576 ' CE2' ' O ' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -124.63 167.38 14.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.519 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -137.99 -176.13 4.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -37.13 150.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.495 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 4.4 t0 61.19 12.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 75' ' ' PHE . . . 58.19 43.2 95.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.435 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 29.5 m-80 -85.35 146.06 43.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -38.92 99.47 0.19 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.2 Cg_endo -75.01 171.87 17.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 18.4 Cg_endo -75.02 -72.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.4 65.72 2.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.3 tp -66.68 106.77 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.2 t -43.41 102.46 0.28 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.63 7.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -68.11 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.15 -35.15 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.91 44.28 8.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -134.51 11.0 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 173.22 167.27 32.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -95.91 121.92 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 177.89 174.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -84.54 149.91 25.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 108.013 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -53.08 -49.51 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -67.43 -20.05 65.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -95.08 -6.26 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.6 t -52.78 115.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.64 12.41 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.7 -179.95 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.454 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 48.1 m-85 -132.76 154.07 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -121.59 -177.49 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.89 153.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 62.61 10.05 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.86 38.28 95.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.1 m120 -77.91 138.58 61.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.74 22.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.546 HD23 ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -107.28 157.66 34.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.54 22.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.451 1.764 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.003 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.72 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.46 58.23 3.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp -67.12 108.31 2.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.74 105.98 0.58 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.61 7.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -66.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.9 p -83.38 -36.82 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 59.89 37.5 21.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -124.45 11.81 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.91 170.3 34.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -97.64 116.41 29.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.2 p-80 -178.06 157.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 71' ' ' CYS . 57.8 m95 -75.54 148.65 38.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.31 -45.24 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 t -60.05 -29.06 68.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.55 -11.54 29.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 42.0 t -52.4 121.32 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 11.0 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.21 169.5 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.46 -43.53 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.503 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 36.4 m-85 -125.88 147.19 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.469 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -133.77 -176.83 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 1.3 tptm -36.78 149.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.02 13.21 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.14 42.55 95.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.1 m120 -85.59 141.56 36.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.1 mm? -38.57 99.23 0.19 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.5 Cg_endo -74.97 173.33 14.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.48 ' N ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -75.03 163.87 34.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.88 -172.73 45.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.514 HD13 ' CD1' ' A' ' 65' ' ' TYR . 2.6 tp -63.2 108.06 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.4 t -42.67 101.92 0.26 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . 18.3 Cg_endo -75.05 1.75 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -86.98 -65.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 22.6 p -88.08 -37.24 16.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.505 ' CD ' ' HA ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 65.55 46.94 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -138.89 13.99 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.85 157.01 11.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' CD1' HD13 ' A' ' 57' ' ' LEU . 52.1 m-85 -87.09 123.0 31.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.4 p-80 177.17 171.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.48 ' CZ2' ' N ' ' A' ' 54' ' ' PRO . 54.5 m95 -78.75 149.85 32.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.98 -50.3 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -68.57 -18.74 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.95 -5.45 50.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -54.78 116.57 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -106.86 9.93 30.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.53 151.86 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 4.0 pttt -73.75 -44.7 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 41.5 m-85 -125.23 167.25 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.512 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -138.61 -176.15 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 17.0 pttm -37.08 150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 4.3 t0 61.16 12.86 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.26 42.68 95.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 28.6 m-80 -84.51 145.09 44.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.04 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.439 1.757 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -38.99 99.52 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -75.03 113.54 3.81 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.528 1.804 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 65' ' ' TYR . 18.4 Cg_endo -75.01 -42.85 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.54 84.6 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.6 tp -68.98 108.15 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -47.45 104.94 0.44 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.69 7.47 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -90.28 -67.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 29.3 p -82.58 -35.78 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.5 38.82 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.73 10.52 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.09 168.39 35.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 70.3 m-85 -97.68 116.97 30.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.2 p-80 -179.34 163.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 89.6 m95 -77.83 151.88 33.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -52.27 -50.95 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.1 p -66.66 -19.88 65.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.937 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.58 -9.02 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.548 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.6 t -56.79 116.35 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 11.41 28.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.3 m -71.52 170.36 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -96.03 -41.23 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 4.9 m-85 -128.8 163.83 24.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.7 p-10 -134.69 -176.21 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.3 ptpp? -37.1 151.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.2 t0 61.26 12.71 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 40.49 95.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 28.2 m-80 -82.36 149.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -74.95 103.35 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -38.77 99.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -74.99 113.44 3.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.2 4.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.551 1.816 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.52 119.02 1.63 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.479 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 1.8 tp -64.64 105.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 45.3 t -47.21 104.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.92 6.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 30.6 p -83.9 -27.69 28.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 5.1 pttt 51.4 38.16 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 16.21 5.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.418 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 170.43 169.51 33.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 76.8 m-85 -100.77 116.11 31.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -179.41 166.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.0 m95 -81.01 149.23 29.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -52.73 -45.75 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 p -62.07 -29.03 70.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.48 -8.98 39.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.7 t -55.41 121.67 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -118.93 12.05 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.406 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -60.25 -178.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 12.9 mttp -112.92 -44.51 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 4.4 m-85 -130.58 135.03 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.9 p-10 -124.63 -176.15 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ASP . 32.7 mtpt -36.27 150.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.4 t70 61.09 13.11 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.91 41.53 94.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.4 m120 -82.82 134.85 46.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 82' ' ' LEU . 1.7 mm? -40.15 159.18 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.09 39.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.639 ' N ' ' CH2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 70.46 5.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.61 -172.23 15.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.6 tp -61.77 108.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 52.9 t -41.6 100.96 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 1.88 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -65.37 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 18.4 p -90.23 -36.96 14.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mttp 66.59 48.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -138.76 14.03 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.63 157.5 10.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -86.04 124.44 32.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.3 p-80 176.5 168.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.639 ' CH2' ' N ' ' A' ' 54' ' ' PRO . 36.4 m95 -75.61 149.37 38.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.028 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.76 -50.42 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -68.98 -18.87 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 31.4 mm-40 -91.21 -4.72 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.454 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.3 t -61.17 116.2 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.64 12.22 24.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.52 170.8 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 -43.7 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 21.0 m-85 -125.53 141.37 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.761 ' HB3' HD21 ' A' ' 82' ' ' LEU . 7.8 p-10 -126.3 -175.93 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.73 150.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.7 t70 61.25 13.1 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.73 43.08 94.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.405 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.6 m120 -85.08 136.61 38.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.759 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.96 99.37 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 76' ' ' ASP . 1.8 mm? -40.11 158.86 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.51 3.81 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.464 1.77 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 18.2 Cg_endo -75.01 -168.97 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.41 56.21 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.5 tp -69.14 107.88 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.07 106.44 0.64 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -67.96 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.2 p -81.37 -36.6 29.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.48 36.35 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -126.48 13.34 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 172.83 170.56 36.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 76.5 m-85 -100.65 113.75 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -174.64 167.51 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.4 m95 -81.38 150.31 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.47 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 t -64.16 -27.3 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.83 -10.01 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 47.6 t -50.98 120.74 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -113.66 9.68 17.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.465 ' HB2' HD23 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -70.14 159.26 34.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -35.94 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.496 ' C ' HD22 ' A' ' 82' ' ' LEU . 26.7 m-85 -145.09 158.3 43.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.786 ' HB3' HD21 ' A' ' 82' ' ' LEU . 12.2 p-10 -133.97 -176.72 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -36.33 151.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.0 t70 61.26 12.45 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 37.88 91.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 7.5 m120 -77.73 142.89 66.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.36 21.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -108.61 154.78 41.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.45 40.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.618 ' N ' ' CE3' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.99 66.12 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.02 -166.24 20.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 tp -49.23 109.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 0.804 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -45.99 103.96 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.262 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.54 7.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.78 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -87.34 -64.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 25.5 p -89.87 -39.06 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 108.29 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp 68.02 46.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -140.54 15.33 2.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.9 148.81 5.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.155 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.67 125.03 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 6.6 p-80 176.42 171.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.585 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.618 ' CE3' ' N ' ' A' ' 54' ' ' PRO . 59.9 m95 -78.13 147.81 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -51.45 -50.37 59.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.3 p -68.1 -22.75 64.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 mm-40 -87.05 -6.5 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.4 t -55.12 117.43 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 11.43 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -72.79 150.23 42.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -43.83 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 14.4 m-85 -127.09 167.73 15.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.555 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -138.67 -176.33 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.13 150.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.9 t70 61.31 12.56 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.45 42.59 95.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.8 m120 -84.75 146.71 47.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -75.04 105.02 2.0 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.788 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -39.23 99.67 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -75.02 157.15 42.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.65 ' N ' ' CH2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.417 ' HB3' ' NE1' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.05 173.76 13.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.803 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.56 -168.25 25.27 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 65' ' ' TYR . 3.8 tp -48.62 111.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 42.4 t -44.47 103.06 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -62.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 20.8 p -91.78 -41.38 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 tttp 72.06 48.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -143.22 17.37 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' CYS . . . 166.62 146.85 5.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 74.6 m-85 -79.12 124.46 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.727 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 5.1 p-80 176.28 167.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.65 ' CH2' ' N ' ' A' ' 54' ' ' PRO . 38.6 m95 -73.31 146.58 45.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -49.37 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -66.5 -26.29 67.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.13 -7.96 58.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 40.4 t -51.99 112.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 14.29 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -73.24 150.67 41.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.54 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.441 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 73.9 m-85 -127.14 167.67 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.8 p-10 -135.62 -176.22 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.38 151.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.74 12.03 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.86 43.01 96.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.2 m120 -85.67 148.81 49.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.0 105.67 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -39.54 99.91 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -74.93 113.46 3.8 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.544 1.812 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.54 1.811 . . . . 0.0 111.035 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 102.87 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' HIS . . . -119.51 91.46 0.5 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 64' ' ' GLY . 13.9 tp -49.86 139.3 13.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.2 t -94.91 109.66 45.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -74.99 -2.37 12.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -65.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 30.4 p -86.35 -41.66 14.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.59 41.8 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -135.75 29.05 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.651 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 159.81 -176.33 36.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.427 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 57.2 m-85 -114.67 109.57 18.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.774 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.3 p-80 -169.72 164.88 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.6 m95 -77.22 147.36 36.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -51.35 26.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -64.74 -29.05 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.12 -10.79 57.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.0 t -50.52 119.17 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.82 9.85 24.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.12 161.53 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.03 -44.99 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 67.8 m-85 -125.89 165.08 19.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' LYS . 8.4 p-10 -136.5 -176.4 4.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.9 150.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.48 12.67 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.44 41.89 95.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.9 m120 -84.29 147.34 50.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.01 104.21 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -38.74 99.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.2 Cg_endo -75.05 161.59 38.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.46 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.88 57.1 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.2 tp -66.16 106.7 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.0 t -49.3 105.65 0.53 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 0.9 8.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -67.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 29.3 p -82.4 -34.38 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.76 38.49 27.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -129.82 13.29 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.87 167.85 34.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 61.7 m-85 -98.19 112.72 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 4.1 p-80 -177.94 158.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.3 m95 -79.13 144.48 34.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.91 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.6 t -59.34 -34.03 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' CG ' ' HB2' ' A' ' 66' ' ' HIS . 3.5 pt-20 -100.49 -3.91 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 13.6 t -61.05 115.83 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.62 15.69 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.485 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -54.87 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.064 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 22.8 mttt -108.87 -52.05 2.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 7.3 m-85 -128.23 138.98 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.772 ' HB3' HD21 ' A' ' 82' ' ' LEU . 7.7 p-10 -127.96 -176.13 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.59 150.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.11 13.16 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.7 42.57 94.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 8.7 m120 -84.58 136.32 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.98 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 76' ' ' ASP . 2.1 mm? -39.77 158.29 0.14 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 164.47 33.3 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.554 1.818 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 139.65 24.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.552 1.817 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.99 55.7 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 64' ' ' GLY . 34.8 tp -62.05 143.76 56.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.3 t -90.96 111.0 45.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.347 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -67.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 27.7 p -81.34 -39.71 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 60.4 33.32 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -126.85 24.53 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.74 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 164.97 -176.3 40.76 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -113.82 117.49 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -179.06 159.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.585 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' CYS . 64.7 m95 -72.99 149.1 43.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -49.61 -51.69 35.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.8 p -65.19 -26.31 68.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.38 -11.71 51.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.8 t -50.58 119.4 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.8 10.81 20.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -74.15 157.61 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.548 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -88.15 -35.68 17.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.548 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 34.0 m-85 -129.98 160.41 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.557 ' HB3' HD22 ' A' ' 82' ' ' LEU . 8.1 p-10 -134.54 -176.94 4.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' ASP . 18.1 tptt -37.03 151.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.47 12.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 39.85 94.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.1 m120 -82.24 149.58 62.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.6 Cg_endo -74.96 102.13 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -38.78 99.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -74.97 158.0 42.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.566 1.824 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 65' ' ' TYR . 18.3 Cg_endo -74.98 -82.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.48 100.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 64' ' ' GLY . 38.8 tp -62.57 142.98 57.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.4 t -90.46 111.42 47.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -66.94 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.3 p -81.13 -42.14 21.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.0 mttt 63.7 36.6 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -134.46 31.08 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.506 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 159.65 177.41 32.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.553 ' CD2' ' HB2' ' A' ' 55' ' ' PRO . 52.8 m-85 -109.29 117.42 34.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.5 p-80 -178.91 160.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' CYS . 91.2 m95 -74.95 149.34 39.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -51.92 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.4 t -65.9 -25.9 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.44 -10.3 54.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 48.1 t -52.91 119.55 4.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.257 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -110.11 9.86 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -72.28 169.12 16.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -39.84 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 86.0 m-85 -125.03 158.42 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.706 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -135.75 -177.0 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' ASP . 15.8 mmtt -36.88 150.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.19 12.95 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.61 40.61 94.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.2 m120 -83.49 148.7 55.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -74.97 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -38.77 99.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.2 Cg_endo -74.99 164.91 32.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.646 ' N ' ' CZ3' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HB3' ' NE1' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.95 -164.75 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.38 -165.94 26.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.4 tp -51.99 107.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 0.763 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.516 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -41.26 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.99 2.65 6.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -63.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 15.0 p -93.45 -37.9 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.74 50.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.0 14.66 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.82 154.02 7.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -81.12 123.92 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 176.81 171.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.646 ' CZ3' ' N ' ' A' ' 54' ' ' PRO . 40.4 m95 -76.28 148.2 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.54 -50.23 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -68.76 -22.28 64.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 7.5 mm-40 -88.03 -3.3 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.683 ' SG ' HD11 ' A' ' 82' ' ' LEU . 52.0 t -57.7 116.65 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.94 11.34 26.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 166.14 20.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.38 -47.22 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.487 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 13.6 m-85 -123.09 156.93 33.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.471 ' HA ' ' HA ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -132.41 -176.15 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 58.9 tttt -37.3 150.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.49 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 2.2 t70 61.22 12.83 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.2 44.28 94.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.1 m120 -87.35 142.14 33.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -75.01 108.01 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.683 HD11 ' SG ' ' A' ' 71' ' ' CYS . 4.2 mm? -39.79 151.18 0.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 18.4 Cg_endo -74.94 155.23 43.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.792 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 83' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.66 23.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.85 -174.31 13.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 65' ' ' TYR . 16.9 tp -61.0 134.95 57.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 47.6 t -79.45 113.18 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.5 Cg_endo -75.0 3.36 5.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 28.9 p -79.26 -33.6 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 3.4 pttm 52.4 31.93 10.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -124.43 26.96 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.22 169.31 23.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CE1' HD13 ' A' ' 57' ' ' LEU . 24.7 m-85 -99.38 116.34 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -177.2 156.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' CYS . 83.4 m95 -72.73 150.24 43.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.34 -52.31 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 t -65.67 -25.78 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.88 -11.31 53.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.7 t -50.94 119.45 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 10.38 23.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -77.37 162.02 27.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -37.43 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 46.1 m-85 -128.18 162.12 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.088 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.484 ' HB3' HD22 ' A' ' 82' ' ' LEU . 8.0 p-10 -134.62 -176.79 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.05 151.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.4 t70 61.48 12.28 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.08 40.14 95.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.444 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 9.0 m120 -82.33 149.57 62.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -75.0 103.28 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -38.83 99.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -75.01 157.22 42.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.9 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.811 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' HIS . . . -104.79 145.51 15.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 64' ' ' GLY . 17.2 tp -57.95 138.83 55.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.7 t -88.44 111.82 46.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.342 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.91 1.1 8.06 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -65.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 32.1 p -85.93 -39.84 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.278 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.67 41.7 14.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.3 23.21 6.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.704 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 160.5 -173.15 37.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 49.2 m-85 -112.74 108.19 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 2.7 p-80 -167.85 157.05 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.1 m95 -73.46 146.95 44.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -48.22 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.8 p -61.3 -33.46 73.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.19 -12.47 52.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.8 t -46.97 122.21 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.81 11.87 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -68.27 168.93 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 39.1 tttt -105.15 -40.29 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 41.2 m-85 -125.05 143.33 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -131.14 -176.22 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.09 149.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 60.88 13.48 4.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.97 43.78 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.7 m-80 -87.2 139.92 32.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.01 103.0 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.3 mm? -40.38 159.42 0.14 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 155.78 43.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.1 tp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -43.6 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 108.339 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 1.59 7.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -68.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 31.2 p -83.66 -34.91 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tttp 61.69 43.74 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -133.32 9.62 4.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 168.1 35.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 78.6 m-85 -96.71 118.76 33.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.3 p-80 178.9 167.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.612 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' CYS . 82.3 m95 -79.59 150.99 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -50.61 60.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -66.26 -23.75 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.98 -7.88 52.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -58.09 115.01 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.38 9.95 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.5 m -70.5 162.3 29.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -84.75 -44.17 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 61.6 m-85 -128.47 165.62 20.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.4 p-10 -134.53 -176.5 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -37.25 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.6 t70 61.6 11.91 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.2 41.84 96.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.0 m-80 -84.24 149.52 55.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.02 104.54 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 65' ' ' TYR . 2.4 tp . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.413 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 45.0 t -45.97 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.65 7.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -68.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 30.1 p -83.07 -35.84 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 tttt 61.12 40.53 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -129.74 10.25 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 174.18 169.46 36.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' HD13 ' A' ' 57' ' ' LEU . 29.9 m-85 -97.7 118.92 35.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.8 p-80 179.66 164.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -76.28 150.78 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -51.3 -50.9 58.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -66.61 -23.76 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.83 -7.73 55.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -56.04 118.16 4.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.73 10.36 24.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 m -72.22 160.75 31.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -85.03 -41.38 15.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 52.2 m-85 -128.61 164.14 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.5 p-10 -134.3 -176.44 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -37.32 151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.54 12.15 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.15 41.04 96.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 31.0 m-80 -83.36 149.7 58.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.99 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.7 tp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 48.6 t -42.94 101.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -64.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 23.3 p -89.7 -38.41 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mttt 67.43 46.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.87 14.95 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.65 152.44 7.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 82.9 m-85 -83.53 120.68 26.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.7 p-80 179.3 173.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -82.47 149.07 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.59 62.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 p -66.2 -24.79 66.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -89.77 -7.08 55.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.8 t -52.73 116.86 2.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 11.43 23.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -73.94 154.77 39.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -54.22 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.504 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 20.0 m-85 -116.05 158.1 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -132.81 -175.94 3.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -37.28 150.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 61.07 13.03 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.06 44.53 94.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.443 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.1 m-80 -87.47 142.53 33.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.582 0.813 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -74.97 103.16 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.529 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.404 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.542 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.6 t -41.94 101.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.96 2.06 7.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 20.8 p -89.54 -37.59 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttt 66.74 47.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 13.7 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.16 156.33 10.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 77.1 m-85 -85.27 125.86 33.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.0 p-80 175.79 169.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.456 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 38.9 m95 -75.35 148.68 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -68.39 -22.28 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 6.1 mm-40 -86.3 -5.05 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.454 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 54.1 t -57.54 114.14 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -106.39 12.85 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -75.07 148.09 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.576 ' CE2' ' O ' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -124.63 167.38 14.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.519 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -137.99 -176.13 4.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -37.13 150.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.4 t0 61.19 12.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 75' ' ' PHE . . . 58.19 43.2 95.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.435 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 29.5 m-80 -85.35 146.06 43.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.3 tp . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.2 t -43.41 102.46 0.28 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.63 7.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -68.11 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.15 -35.15 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.91 44.28 8.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -134.51 11.0 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 173.22 167.27 32.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -95.91 121.92 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 177.89 174.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -84.54 149.91 25.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 108.013 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -53.08 -49.51 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -67.43 -20.05 65.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -95.08 -6.26 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.6 t -52.78 115.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.64 12.41 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.7 -179.95 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.454 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 48.1 m-85 -132.76 154.07 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -121.59 -177.49 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.89 153.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 62.61 10.05 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.86 38.28 95.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.454 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 27.6 m-80 -77.91 138.58 61.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.74 22.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.546 HD23 ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.74 105.98 0.58 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.61 7.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -66.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.9 p -83.38 -36.82 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 59.89 37.5 21.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -124.45 11.81 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.91 170.3 34.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -97.64 116.41 29.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.2 p-80 -178.06 157.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 71' ' ' CYS . 57.8 m95 -75.54 148.65 38.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.31 -45.24 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 t -60.05 -29.06 68.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.55 -11.54 29.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 42.0 t -52.4 121.32 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 11.0 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.21 169.5 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.46 -43.53 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.503 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 36.4 m-85 -125.88 147.19 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.469 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -133.77 -176.83 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 1.3 tptm -36.78 149.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.02 13.21 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.14 42.55 95.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.446 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.8 m-80 -85.59 141.56 36.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.1 mm? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.514 HD13 ' CD1' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.4 t -42.67 101.92 0.26 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . 18.3 Cg_endo -75.05 1.75 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -86.98 -65.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 22.6 p -88.08 -37.24 16.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.505 ' CD ' ' HA ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 65.55 46.94 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -138.89 13.99 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.85 157.01 11.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.514 ' CD1' HD13 ' A' ' 57' ' ' LEU . 52.1 m-85 -87.09 123.0 31.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.4 p-80 177.17 171.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 54.5 m95 -78.75 149.85 32.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.98 -50.3 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -68.57 -18.74 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.95 -5.45 50.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -54.78 116.57 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -106.86 9.93 30.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.53 151.86 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 4.0 pttt -73.75 -44.7 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 41.5 m-85 -125.23 167.25 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.512 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -138.61 -176.15 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 17.0 pttm -37.08 150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.481 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.3 t0 61.16 12.86 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.26 42.68 95.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 28.6 m-80 -84.51 145.09 44.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.04 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.439 1.757 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.6 tp . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -47.45 104.94 0.44 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.69 7.47 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -90.28 -67.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 29.3 p -82.58 -35.78 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.5 38.82 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.73 10.52 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.09 168.39 35.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 70.3 m-85 -97.68 116.97 30.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.2 p-80 -179.34 163.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 89.6 m95 -77.83 151.88 33.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -52.27 -50.95 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.1 p -66.66 -19.88 65.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.937 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.58 -9.02 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.548 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.6 t -56.79 116.35 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 11.41 28.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.3 m -71.52 170.36 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -96.03 -41.23 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 4.9 m-85 -128.8 163.83 24.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.7 p-10 -134.69 -176.21 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.3 ptpp? -37.1 151.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.2 t0 61.26 12.71 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 40.49 95.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 28.2 m-80 -82.36 149.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.95 103.35 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.479 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 1.8 tp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 45.3 t -47.21 104.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.92 6.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 30.6 p -83.9 -27.69 28.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 5.1 pttt 51.4 38.16 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 16.21 5.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.418 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 170.43 169.51 33.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 76.8 m-85 -100.77 116.11 31.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -179.41 166.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.0 m95 -81.01 149.23 29.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -52.73 -45.75 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 p -62.07 -29.03 70.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.48 -8.98 39.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.7 t -55.41 121.67 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -118.93 12.05 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.406 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -60.25 -178.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 12.9 mttp -112.92 -44.51 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 4.4 m-85 -130.58 135.03 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.9 p-10 -124.63 -176.15 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ASP . 32.7 mtpt -36.27 150.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.4 t70 61.09 13.11 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.91 41.53 94.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 28.2 m-80 -82.82 134.85 46.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.505 ' HA ' HD13 ' A' ' 82' ' ' LEU . 1.7 mm? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.6 tp . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 52.9 t -41.6 100.96 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 1.88 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -65.37 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 18.4 p -90.23 -36.96 14.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mttp 66.59 48.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -138.76 14.03 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.63 157.5 10.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -86.04 124.44 32.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.3 p-80 176.5 168.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.465 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 36.4 m95 -75.61 149.37 38.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.028 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.76 -50.42 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -68.98 -18.87 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 31.4 mm-40 -91.21 -4.72 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.454 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.3 t -61.17 116.2 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.64 12.22 24.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.52 170.8 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 -43.7 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 21.0 m-85 -125.53 141.37 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.761 ' HB3' HD21 ' A' ' 82' ' ' LEU . 7.8 p-10 -126.3 -175.93 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.73 150.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.7 t70 61.25 13.1 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.73 43.08 94.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.438 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 29.3 m-80 -85.08 136.61 38.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.759 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.96 99.37 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 76' ' ' ASP . 1.8 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.5 tp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.07 106.44 0.64 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -67.96 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.2 p -81.37 -36.6 29.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.48 36.35 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -126.48 13.34 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 172.83 170.56 36.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 76.5 m-85 -100.65 113.75 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -174.64 167.51 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.4 m95 -81.38 150.31 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.47 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 t -64.16 -27.3 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.83 -10.01 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 47.6 t -50.98 120.74 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -113.66 9.68 17.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.465 ' HB2' HD23 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -70.14 159.26 34.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -35.94 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.496 ' C ' HD22 ' A' ' 82' ' ' LEU . 26.7 m-85 -145.09 158.3 43.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.786 ' HB3' HD21 ' A' ' 82' ' ' LEU . 12.2 p-10 -133.97 -176.72 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -36.33 151.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.0 t70 61.26 12.45 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 37.88 91.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 24.9 m-80 -77.73 142.89 66.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.36 21.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -45.99 103.96 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.262 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.54 7.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.78 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -87.34 -64.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 25.5 p -89.87 -39.06 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 108.29 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp 68.02 46.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -140.54 15.33 2.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.9 148.81 5.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.155 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.67 125.03 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 6.6 p-80 176.42 171.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.585 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 59.9 m95 -78.13 147.81 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -51.45 -50.37 59.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.3 p -68.1 -22.75 64.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 mm-40 -87.05 -6.5 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.4 t -55.12 117.43 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 11.43 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -72.79 150.23 42.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -43.83 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 14.4 m-85 -127.09 167.73 15.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.555 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -138.67 -176.33 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.13 150.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.9 t70 61.31 12.56 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.45 42.59 95.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 29.9 m-80 -84.75 146.71 47.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.04 105.02 2.0 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.788 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 65' ' ' TYR . 3.8 tp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 42.4 t -44.47 103.06 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -62.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 20.8 p -91.78 -41.38 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 tttp 72.06 48.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -143.22 17.37 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' CYS . . . 166.62 146.85 5.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 74.6 m-85 -79.12 124.46 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.727 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 5.1 p-80 176.28 167.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -73.31 146.58 45.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -49.37 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -66.5 -26.29 67.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.13 -7.96 58.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 40.4 t -51.99 112.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 14.29 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -73.24 150.67 41.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.54 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.441 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 73.9 m-85 -127.14 167.67 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.8 p-10 -135.62 -176.22 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.38 151.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.492 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.74 12.03 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.86 43.01 96.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.3 m-80 -85.67 148.81 49.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.0 105.67 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 64' ' ' GLY . 13.9 tp . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.2 t -94.91 109.66 45.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -74.99 -2.37 12.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -65.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 30.4 p -86.35 -41.66 14.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.59 41.8 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -135.75 29.05 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.651 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 159.81 -176.33 36.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.427 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 57.2 m-85 -114.67 109.57 18.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.774 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.3 p-80 -169.72 164.88 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.6 m95 -77.22 147.36 36.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -51.35 26.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -64.74 -29.05 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.12 -10.79 57.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.0 t -50.52 119.17 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.82 9.85 24.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.12 161.53 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.03 -44.99 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 67.8 m-85 -125.89 165.08 19.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' LYS . 8.4 p-10 -136.5 -176.4 4.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.9 150.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.48 12.67 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.44 41.89 95.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 30.1 m-80 -84.29 147.34 50.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.01 104.21 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.514 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.2 tp . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.0 t -49.3 105.65 0.53 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 0.9 8.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -67.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 29.3 p -82.4 -34.38 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.76 38.49 27.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -129.82 13.29 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.87 167.85 34.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 61.7 m-85 -98.19 112.72 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 4.1 p-80 -177.94 158.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.3 m95 -79.13 144.48 34.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.91 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.6 t -59.34 -34.03 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' CG ' ' HB2' ' A' ' 66' ' ' HIS . 3.5 pt-20 -100.49 -3.91 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 13.6 t -61.05 115.83 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.62 15.69 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.485 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -54.87 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.064 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 22.8 mttt -108.87 -52.05 2.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 7.3 m-85 -128.23 138.98 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.772 ' HB3' HD21 ' A' ' 82' ' ' LEU . 7.7 p-10 -127.96 -176.13 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.59 150.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.11 13.16 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.7 42.57 94.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 29.4 m-80 -84.58 136.32 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.98 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 76' ' ' ASP . 2.1 mm? . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 64' ' ' GLY . 34.8 tp . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.3 t -90.96 111.0 45.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.347 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -67.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 27.7 p -81.34 -39.71 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 60.4 33.32 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -126.85 24.53 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.74 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 164.97 -176.3 40.76 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -113.82 117.49 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -179.06 159.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.585 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' CYS . 64.7 m95 -72.99 149.1 43.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -49.61 -51.69 35.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.8 p -65.19 -26.31 68.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.38 -11.71 51.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.8 t -50.58 119.4 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.8 10.81 20.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -74.15 157.61 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.548 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -88.15 -35.68 17.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.548 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 34.0 m-85 -129.98 160.41 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.557 ' HB3' HD22 ' A' ' 82' ' ' LEU . 8.1 p-10 -134.54 -176.94 4.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' ASP . 18.1 tptt -37.03 151.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.47 12.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 39.85 94.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 31.0 m-80 -82.24 149.58 62.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.6 Cg_endo -74.96 102.13 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 64' ' ' GLY . 38.8 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.4 t -90.46 111.42 47.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -66.94 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.3 p -81.13 -42.14 21.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.0 mttt 63.7 36.6 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -134.46 31.08 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.506 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 159.65 177.41 32.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -109.29 117.42 34.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.5 p-80 -178.91 160.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' CYS . 91.2 m95 -74.95 149.34 39.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -51.92 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.4 t -65.9 -25.9 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.44 -10.3 54.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 48.1 t -52.91 119.55 4.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.257 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -110.11 9.86 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -72.28 169.12 16.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -39.84 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 86.0 m-85 -125.03 158.42 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.706 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -135.75 -177.0 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' ASP . 15.8 mmtt -36.88 150.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.19 12.95 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.61 40.61 94.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.3 m-80 -83.49 148.7 55.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -74.97 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.4 tp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.516 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -41.26 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.99 2.65 6.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -63.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 15.0 p -93.45 -37.9 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.74 50.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.0 14.66 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.82 154.02 7.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -81.12 123.92 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 176.81 171.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.468 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 40.4 m95 -76.28 148.2 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.54 -50.23 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -68.76 -22.28 64.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 7.5 mm-40 -88.03 -3.3 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.683 ' SG ' HD11 ' A' ' 82' ' ' LEU . 52.0 t -57.7 116.65 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.94 11.34 26.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 166.14 20.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.38 -47.22 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.487 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 13.6 m-85 -123.09 156.93 33.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.471 ' HA ' ' HA ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -132.41 -176.15 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 58.9 tttt -37.3 150.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.49 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 2.2 t70 61.22 12.83 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.2 44.28 94.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.0 m-80 -87.35 142.14 33.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -75.01 108.01 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.683 HD11 ' SG ' ' A' ' 71' ' ' CYS . 4.2 mm? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 65' ' ' TYR . 16.9 tp . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 47.6 t -79.45 113.18 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.5 Cg_endo -75.0 3.36 5.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 28.9 p -79.26 -33.6 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 3.4 pttm 52.4 31.93 10.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -124.43 26.96 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.22 169.31 23.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CE1' HD13 ' A' ' 57' ' ' LEU . 24.7 m-85 -99.38 116.34 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -177.2 156.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' CYS . 83.4 m95 -72.73 150.24 43.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.34 -52.31 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 t -65.67 -25.78 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.88 -11.31 53.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.7 t -50.94 119.45 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 10.38 23.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -77.37 162.02 27.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -37.43 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 46.1 m-85 -128.18 162.12 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.088 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.484 ' HB3' HD22 ' A' ' 82' ' ' LEU . 8.0 p-10 -134.62 -176.79 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.05 151.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.4 t70 61.48 12.28 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.08 40.14 95.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.444 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 30.4 m-80 -82.33 149.57 62.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -75.0 103.28 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.501 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 64' ' ' GLY . 17.2 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.7 t -88.44 111.82 46.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.342 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.91 1.1 8.06 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -65.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 32.1 p -85.93 -39.84 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.278 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.67 41.7 14.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.3 23.21 6.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.704 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 160.5 -173.15 37.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 49.2 m-85 -112.74 108.19 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 2.7 p-80 -167.85 157.05 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.1 m95 -73.46 146.95 44.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -48.22 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.8 p -61.3 -33.46 73.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.19 -12.47 52.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.8 t -46.97 122.21 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.81 11.87 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -68.27 168.93 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 39.1 tttt -105.15 -40.29 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 41.2 m-85 -125.05 143.33 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -131.14 -176.22 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.09 149.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 60.88 13.48 4.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.97 43.78 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.7 m-80 -87.2 139.92 32.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.01 103.0 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.3 mm? . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 90.64 1.06 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -142.12 74.93 0.33 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.1 tp -65.19 105.67 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 0.806 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -43.6 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 108.339 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 1.59 7.54 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.501 1.79 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 -68.79 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 31.2 p -83.66 -34.91 24.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 tttp 61.69 43.74 9.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -133.32 9.62 4.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.18 168.1 35.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 78.6 m-85 -96.71 118.76 33.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 0.735 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.3 p-80 178.9 167.6 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.612 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.401 ' O ' ' N ' ' A' ' 71' ' ' CYS . 82.3 m95 -79.59 150.99 30.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.02 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -50.61 60.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.7 t -66.26 -23.75 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.98 -7.88 52.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.524 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -58.09 115.01 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.38 9.95 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.5 m -70.5 162.3 29.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -84.75 -44.17 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 61.6 m-85 -128.47 165.62 20.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.4 p-10 -134.53 -176.5 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.6 OUTLIER -37.25 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.6 t70 61.6 11.91 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.2 41.84 96.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.107 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.0 m-80 -84.24 149.52 55.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.02 104.54 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -39.16 99.66 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -75.01 157.55 42.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.433 1.754 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 97.03 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.805 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -150.61 96.95 0.17 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' A' ' 65' ' ' TYR . 2.4 tp -66.99 107.36 2.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.413 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 45.0 t -45.97 103.99 0.38 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.65 7.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -68.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 30.1 p -83.07 -35.84 25.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 tttt 61.12 40.53 14.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -129.74 10.25 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 174.18 169.46 36.35 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CD1' HD13 ' A' ' 57' ' ' LEU . 29.9 m-85 -97.7 118.92 35.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.766 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.8 p-80 179.66 164.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.621 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -76.28 150.78 36.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 107.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -51.3 -50.9 58.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.0 p -66.61 -23.76 66.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.83 -7.73 55.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.5 t -56.04 118.16 4.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.272 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.73 10.36 24.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.5 m -72.22 160.75 31.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -85.03 -41.38 15.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 52.2 m-85 -128.61 164.14 23.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.5 p-10 -134.3 -176.44 4.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -37.32 151.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.54 12.15 4.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.15 41.04 96.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 31.0 m-80 -83.36 149.7 58.73 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -74.99 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -39.04 99.55 0.2 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -75.03 170.02 21.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.54 5.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.79 -173.78 40.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.7 tp -63.15 107.96 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 0.774 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 48.6 t -42.94 101.96 0.26 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -64.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 23.3 p -89.7 -38.41 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.7 mttt 67.43 46.81 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.87 14.95 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.65 152.44 7.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.452 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 82.9 m-85 -83.53 120.68 26.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 5.7 p-80 179.3 173.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -82.47 149.07 27.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -49.59 62.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.0 p -66.2 -24.79 66.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -89.77 -7.08 55.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.265 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.8 t -52.73 116.86 2.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 108.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.1 11.43 23.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -73.94 154.77 39.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 110.045 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -54.22 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.504 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 20.0 m-85 -116.05 158.1 23.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -132.81 -175.94 3.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -37.28 150.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.486 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 61.07 13.03 4.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.06 44.53 94.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.563 1.164 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.443 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.1 m-80 -87.47 142.53 33.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.582 0.813 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -74.97 103.16 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.483 1.781 . . . . 0.0 111.049 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.529 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -38.92 99.48 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.1 Cg_endo -75.03 166.71 28.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 0.0 111.021 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.438 ' N ' ' HA ' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.559 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.97 60.69 5.48 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.539 1.81 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.89 -167.56 29.69 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.404 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp -53.74 108.2 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.542 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.6 t -41.94 101.41 0.24 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.96 2.06 7.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.787 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 20.8 p -89.54 -37.59 14.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tttt 66.74 47.79 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 13.7 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.16 156.33 10.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.535 1.147 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 77.1 m-85 -85.27 125.86 33.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.0 p-80 175.79 169.99 0.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.587 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.559 ' CZ2' ' HD3' ' A' ' 55' ' ' PRO . 38.9 m95 -75.35 148.68 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -68.39 -22.28 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 6.1 mm-40 -86.3 -5.05 59.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.454 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 54.1 t -57.54 114.14 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -106.39 12.85 29.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.417 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -75.07 148.09 40.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.97 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.576 ' CE2' ' O ' ' A' ' 79' ' ' GLY . 0.7 OUTLIER -124.63 167.38 14.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.519 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -137.99 -176.13 4.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.8 OUTLIER -37.13 150.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.495 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 4.4 t0 61.19 12.9 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 75' ' ' PHE . . . 58.19 43.2 95.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.435 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 29.5 m-80 -85.35 146.06 43.94 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -38.92 99.47 0.19 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.2 Cg_endo -75.01 171.87 17.48 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 18.4 Cg_endo -75.02 -72.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.4 65.72 2.35 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.561 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.3 tp -66.68 106.77 1.92 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 0.777 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.2 t -43.41 102.46 0.28 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 0.0 108.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.63 7.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -68.11 0.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.15 -35.15 23.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 108.291 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.91 44.28 8.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -134.51 11.0 3.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 173.22 167.27 32.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -95.91 121.92 38.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.992 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 177.89 174.36 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.619 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 87.6 m95 -84.54 149.91 25.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 108.013 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -53.08 -49.51 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -67.43 -20.05 65.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -95.08 -6.26 42.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.6 t -52.78 115.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.64 12.41 25.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.7 -179.95 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.454 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 48.1 m-85 -132.76 154.07 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -121.59 -177.49 3.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.89 153.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 62.61 10.05 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.86 38.28 95.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.485 1.115 . . . . 0.0 111.028 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 27.6 m-80 -77.91 138.58 61.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.74 22.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.546 HD23 ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -107.28 157.66 34.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 169.54 22.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.451 1.764 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.003 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.72 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.46 58.23 3.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 2.6 tp -67.12 108.31 2.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.7 t -49.74 105.98 0.58 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 1.61 7.54 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.97 -66.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.9 p -83.38 -36.82 24.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mttm 59.89 37.5 21.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -124.45 11.81 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.91 170.3 34.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 84.3 m-85 -97.64 116.41 29.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.2 p-80 -178.06 157.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.624 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 71' ' ' CYS . 57.8 m95 -75.54 148.65 38.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 108.01 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -52.31 -45.24 65.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.2 t -60.05 -29.06 68.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -94.55 -11.54 29.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 42.0 t -52.4 121.32 6.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 11.0 14.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.21 169.5 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.46 -43.53 5.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.503 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 36.4 m-85 -125.88 147.19 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.469 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -133.77 -176.83 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 1.3 tptm -36.78 149.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.02 13.21 4.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.14 42.55 95.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.446 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.8 m-80 -85.59 141.56 36.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.477 0.751 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.03 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.1 mm? -38.57 99.23 0.19 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.5 Cg_endo -74.97 173.33 14.68 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.804 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.48 ' N ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 54' ' ' PRO . 18.4 Cg_endo -75.03 163.87 34.41 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.88 -172.73 45.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.514 HD13 ' CD1' ' A' ' 65' ' ' TYR . 2.6 tp -63.2 108.06 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 50.4 t -42.67 101.92 0.26 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' HA ' ' CD ' ' A' ' 62' ' ' LYS . 18.3 Cg_endo -75.05 1.75 7.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' NH1' ' OD2' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -86.98 -65.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 22.6 p -88.08 -37.24 16.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 108.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.505 ' CD ' ' HA ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER 65.55 46.94 2.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -138.89 13.99 2.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.85 157.01 11.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' CD1' HD13 ' A' ' 57' ' ' LEU . 52.1 m-85 -87.09 123.0 31.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 0.773 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.4 p-80 177.17 171.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.642 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.48 ' CZ2' ' N ' ' A' ' 54' ' ' PRO . 54.5 m95 -78.75 149.85 32.58 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.98 -50.3 64.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -68.57 -18.74 64.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.95 -5.45 50.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.8 t -54.78 116.57 2.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -106.86 9.93 30.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.53 151.86 40.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.542 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 4.0 pttt -73.75 -44.7 55.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.542 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 41.5 m-85 -125.23 167.25 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.512 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -138.61 -176.15 4.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 17.0 pttm -37.08 150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 4.3 t0 61.16 12.86 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.26 42.68 95.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 28.6 m-80 -84.51 145.09 44.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.2 Cg_endo -75.04 103.86 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.439 1.757 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -38.99 99.52 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.248 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -75.03 113.54 3.81 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.528 1.804 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.539 1.81 . . . . 0.0 110.986 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.564 ' HG2' ' CD1' ' A' ' 65' ' ' TYR . 18.4 Cg_endo -75.01 -42.85 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.54 84.6 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.6 tp -68.98 108.15 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.5 t -47.45 104.94 0.44 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 108.273 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.69 7.47 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -90.28 -67.54 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 29.3 p -82.58 -35.78 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 108.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.5 38.82 22.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.73 10.52 6.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.09 168.39 35.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 70.3 m-85 -97.68 116.97 30.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.756 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.548 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.2 p-80 -179.34 163.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.581 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 89.6 m95 -77.83 151.88 33.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.015 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -52.27 -50.95 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.1 p -66.66 -19.88 65.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.937 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.58 -9.02 36.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.548 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.6 t -56.79 116.35 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.83 11.41 28.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.3 m -71.52 170.36 13.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.967 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.6 ttpp -96.03 -41.23 8.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 4.9 m-85 -128.8 163.83 24.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.7 p-10 -134.69 -176.21 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.3 ptpp? -37.1 151.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.487 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.2 t0 61.26 12.71 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 40.49 95.4 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 28.2 m-80 -82.36 149.17 61.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.4 Cg_endo -74.95 103.35 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.497 1.788 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -38.77 99.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -74.99 113.44 3.8 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.2 4.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.551 1.816 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.52 119.02 1.63 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.479 ' HB2' ' CE2' ' A' ' 65' ' ' TYR . 1.8 tp -64.64 105.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 0.743 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 45.3 t -47.21 104.6 0.42 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 108.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.92 6.09 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.066 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 30.6 p -83.9 -27.69 28.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 5.1 pttt 51.4 38.16 21.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.68 16.21 5.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.418 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 170.43 169.51 33.63 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' A' ' 57' ' ' LEU . 76.8 m-85 -100.77 116.11 31.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -179.41 166.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.577 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.0 m95 -81.01 149.23 29.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -52.73 -45.75 67.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.6 p -62.07 -29.03 70.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -93.48 -8.98 39.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.7 t -55.41 121.67 9.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -118.93 12.05 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.406 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.4 OUTLIER -60.25 -178.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.981 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 12.9 mttp -112.92 -44.51 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 4.4 m-85 -130.58 135.03 47.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.9 p-10 -124.63 -176.15 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ASP . 32.7 mtpt -36.27 150.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.4 t70 61.09 13.11 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.91 41.53 94.27 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 28.2 m-80 -82.82 134.85 46.3 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 0.782 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.04 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.505 ' HA ' HD13 ' A' ' 82' ' ' LEU . 1.7 mm? -40.15 159.18 0.14 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 161.09 39.2 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.522 1.801 . . . . 0.0 111.001 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.639 ' N ' ' CH2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 54' ' ' PRO . 18.3 Cg_endo -74.98 70.46 5.27 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -118.61 -172.23 15.41 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.6 tp -61.77 108.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 0.73 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 52.9 t -41.6 100.96 0.23 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.02 1.88 7.25 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.05 -65.37 1.02 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 18.4 p -90.23 -36.96 14.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.2 mttp 66.59 48.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -138.76 14.03 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.63 157.5 10.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -86.04 124.44 32.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 7.3 p-80 176.5 168.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.639 ' CH2' ' N ' ' A' ' 54' ' ' PRO . 36.4 m95 -75.61 149.37 38.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.028 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.76 -50.42 63.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.0 t -68.98 -18.87 64.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 31.4 mm-40 -91.21 -4.72 55.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.454 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 44.3 t -61.17 116.2 4.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 108.284 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.64 12.22 24.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.52 170.8 5.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 -43.7 7.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 21.0 m-85 -125.53 141.37 52.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.761 ' HB3' HD21 ' A' ' 82' ' ' LEU . 7.8 p-10 -126.3 -175.93 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.73 150.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.7 t70 61.25 13.1 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.73 43.08 94.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.447 1.092 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.438 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 29.3 m-80 -85.08 136.61 38.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.759 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -74.96 99.37 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.761 HD21 ' HB3' ' A' ' 76' ' ' ASP . 1.8 mm? -40.11 158.86 0.14 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.51 3.81 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.464 1.77 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 18.2 Cg_endo -75.01 -168.97 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -124.41 56.21 0.69 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.5 tp -69.14 107.88 3.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 43.2 t -50.07 106.44 0.64 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.27 7.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -67.96 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.2 p -81.37 -36.6 29.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.48 36.35 23.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -126.48 13.34 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 172.83 170.56 36.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.57 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 76.5 m-85 -100.65 113.75 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 4.0 p-80 -174.64 167.51 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' CYS . 66.4 m95 -81.38 150.31 28.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.009 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.47 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 t -64.16 -27.3 68.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.83 -10.01 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 47.6 t -50.98 120.74 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -113.66 9.68 17.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.465 ' HB2' HD23 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -70.14 159.26 34.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.89 -35.94 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.496 ' C ' HD22 ' A' ' 82' ' ' LEU . 26.7 m-85 -145.09 158.3 43.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.786 ' HB3' HD21 ' A' ' 82' ' ' LEU . 12.2 p-10 -133.97 -176.72 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 76' ' ' ASP . 1.0 OUTLIER -36.33 151.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.0 t70 61.26 12.45 4.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.93 37.88 91.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.473 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 24.9 m-80 -77.73 142.89 66.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.36 21.61 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -108.61 154.78 41.43 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 160.45 40.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.532 1.806 . . . . 0.0 111.027 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.618 ' N ' ' CE3' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 67' ' ' TRP . 18.3 Cg_endo -74.99 66.12 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.02 -166.24 20.42 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 tp -49.23 109.66 0.29 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 0.804 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -45.99 103.96 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.262 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 1.54 7.6 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.481 1.78 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -87.34 -64.23 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 25.5 p -89.87 -39.06 13.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 108.29 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp 68.02 46.41 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -140.54 15.33 2.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 168.9 148.81 5.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.155 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.67 125.03 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 6.6 p-80 176.42 171.72 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.585 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.618 ' CE3' ' N ' ' A' ' 54' ' ' PRO . 59.9 m95 -78.13 147.81 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -51.45 -50.37 59.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.3 p -68.1 -22.75 64.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 8.9 mm-40 -87.05 -6.5 58.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.445 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 53.4 t -55.12 117.43 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 108.331 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 11.43 23.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -72.79 150.23 42.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -43.83 67.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 14.4 m-85 -127.09 167.73 15.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.555 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -138.67 -176.33 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.13 150.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.487 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 1.9 t70 61.31 12.56 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.45 42.59 95.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 29.9 m-80 -84.75 146.71 47.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.3 Cg_endo -75.04 105.02 2.0 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.788 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.2 OUTLIER -39.23 99.67 0.2 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -75.02 157.15 42.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.009 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.65 ' N ' ' CH2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.417 ' HB3' ' NE1' ' A' ' 67' ' ' TRP . 18.1 Cg_endo -75.05 173.76 13.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.525 1.803 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.56 -168.25 25.27 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.451 1.095 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' A' ' 65' ' ' TYR . 3.8 tp -48.62 111.44 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 42.4 t -44.47 103.06 0.31 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 108.271 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.99 7.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.468 1.772 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.41 -62.4 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 20.8 p -91.78 -41.38 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 108.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' N ' ' SG ' ' A' ' 61' ' ' CYS . 4.1 tttp 72.06 48.22 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -143.22 17.37 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' ' CB ' ' A' ' 58' ' ' CYS . . . 166.62 146.85 5.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.434 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 74.6 m-85 -79.12 124.46 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.727 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 58' ' ' CYS . 5.1 p-80 176.28 167.5 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.587 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.65 ' CH2' ' N ' ' A' ' 54' ' ' PRO . 38.6 m95 -73.31 146.58 45.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 107.973 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -49.37 59.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 t -66.5 -26.29 67.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -85.13 -7.96 58.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.519 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 40.4 t -51.99 112.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.07 14.29 29.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -73.24 150.67 41.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.959 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.78 -46.54 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.441 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 73.9 m-85 -127.14 167.67 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 77' ' ' LYS . 7.8 p-10 -135.62 -176.22 4.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.38 151.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.492 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 1.7 t70 61.74 12.03 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.86 43.01 96.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.3 m-80 -85.67 148.81 49.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.535 0.785 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.3 Cg_endo -75.0 105.67 2.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.768 . . . . 0.0 111.028 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -39.54 99.91 0.2 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.4 Cg_endo -74.93 113.46 3.8 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.544 1.812 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.54 1.811 . . . . 0.0 111.035 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 102.87 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.023 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' HIS . . . -119.51 91.46 0.5 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 64' ' ' GLY . 13.9 tp -49.86 139.3 13.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.2 t -94.91 109.66 45.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 108.297 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -74.99 -2.37 12.44 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -65.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 30.4 p -86.35 -41.66 14.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.59 41.8 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -135.75 29.05 3.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.651 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 159.81 -176.33 36.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.427 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 57.2 m-85 -114.67 109.57 18.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.774 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.558 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.3 p-80 -169.72 164.88 10.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.6 m95 -77.22 147.36 36.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -51.35 26.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.2 p -64.74 -29.05 70.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -84.12 -10.79 57.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.0 t -50.52 119.17 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.82 9.85 24.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.12 161.53 30.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.03 -44.99 11.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 67.8 m-85 -125.89 165.08 19.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 77' ' ' LYS . 8.4 p-10 -136.5 -176.4 4.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.9 150.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.48 12.67 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.44 41.89 95.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 30.1 m-80 -84.29 147.34 50.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.766 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -75.01 104.21 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 110.942 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.514 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -38.74 99.39 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.2 Cg_endo -75.05 161.59 38.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.535 1.808 . . . . 0.0 111.041 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -163.46 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.517 1.798 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.88 57.1 1.97 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 2.2 tp -66.16 106.7 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.0 t -49.3 105.65 0.53 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.316 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.2 Cg_endo -75.01 0.9 8.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.9 -67.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 29.3 p -82.4 -34.38 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.76 38.49 27.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -129.82 13.29 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.87 167.85 34.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 57' ' ' LEU . 61.7 m-85 -98.19 112.72 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 0.791 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 4.1 p-80 -177.94 158.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 109.607 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' CYS . 87.3 m95 -79.13 144.48 34.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.002 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -38.91 60.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.6 t -59.34 -34.03 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' CG ' ' HB2' ' A' ' 66' ' ' HIS . 3.5 pt-20 -100.49 -3.91 29.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.45 1.094 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.482 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 13.6 t -61.05 115.83 4.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.62 15.69 17.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.485 ' HB3' HD23 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -54.87 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.064 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 22.8 mttt -108.87 -52.05 2.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 7.3 m-85 -128.23 138.98 52.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.772 ' HB3' HD21 ' A' ' 82' ' ' LEU . 7.7 p-10 -127.96 -176.13 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -36.59 150.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t70 61.11 13.16 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.7 42.57 94.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' ND2' ' HB3' ' A' ' 78' ' ' ASP . 29.4 m-80 -84.58 136.32 39.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.98 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 76' ' ' ASP . 2.1 mm? -39.77 158.29 0.14 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 164.47 33.3 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.554 1.818 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 139.65 24.5 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.552 1.817 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.99 55.7 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.74 HD12 ' O ' ' A' ' 64' ' ' GLY . 34.8 tp -62.05 143.76 56.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 46.3 t -90.96 111.0 45.92 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.347 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.95 -0.66 10.22 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.543 1.812 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.45 -67.22 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 27.7 p -81.34 -39.71 24.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.322 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 62.4 mttt 60.4 33.32 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -126.85 24.53 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.74 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 164.97 -176.3 40.76 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -113.82 117.49 31.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -179.06 159.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.585 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' CYS . 64.7 m95 -72.99 149.1 43.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -49.61 -51.69 35.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.8 p -65.19 -26.31 68.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.38 -11.71 51.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 43.8 t -50.58 119.4 3.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 108.312 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.8 10.81 20.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.6 m -74.15 157.61 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.548 ' HG3' ' CD2' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -88.15 -35.68 17.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.548 ' CD2' ' HG3' ' A' ' 74' ' ' LYS . 34.0 m-85 -129.98 160.41 33.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.557 ' HB3' HD22 ' A' ' 82' ' ' LEU . 8.1 p-10 -134.54 -176.94 4.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 76' ' ' ASP . 18.1 tptt -37.03 151.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.5 t70 61.47 12.3 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.13 39.85 94.93 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 31.0 m-80 -82.24 149.58 62.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 83' ' ' PRO . 18.6 Cg_endo -74.96 102.13 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -38.78 99.31 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -74.97 158.0 42.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.566 1.824 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.505 1.792 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.553 ' HB2' ' CD2' ' A' ' 65' ' ' TYR . 18.3 Cg_endo -74.98 -82.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.48 100.27 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD12 ' O ' ' A' ' 64' ' ' GLY . 38.8 tp -62.57 142.98 57.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 42.4 t -90.46 111.42 47.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -75.0 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.466 1.772 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.28 -66.94 0.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 28.3 p -81.13 -42.14 21.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.318 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.0 mttt 63.7 36.6 10.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -134.46 31.08 3.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.506 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 159.65 177.41 32.71 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.553 ' CD2' ' HB2' ' A' ' 55' ' ' PRO . 52.8 m-85 -109.29 117.42 34.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.5 p-80 -178.91 160.87 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' CYS . 91.2 m95 -74.95 149.34 39.41 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -51.92 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.4 t -65.9 -25.9 67.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 110.032 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.44 -10.3 54.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 48.1 t -52.91 119.55 4.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 108.257 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -110.11 9.86 24.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 m -72.28 169.12 16.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -39.84 7.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 86.0 m-85 -125.03 158.42 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.706 ' HB3' HD22 ' A' ' 82' ' ' LEU . 0.8 OUTLIER -135.75 -177.0 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 76' ' ' ASP . 15.8 mmtt -36.88 150.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.51 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.7 t70 61.19 12.95 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.61 40.61 94.9 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.3 m-80 -83.49 148.7 55.97 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.2 Cg_endo -74.97 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.541 1.811 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.706 HD22 ' HB3' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -38.77 99.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.419 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.2 Cg_endo -74.99 164.91 32.44 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.812 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 111.01 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.646 ' N ' ' CZ3' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HB3' ' NE1' ' A' ' 67' ' ' TRP . 18.4 Cg_endo -74.95 -164.75 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.38 -165.94 26.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 59' ' ' PRO . 2.4 tp -51.99 107.0 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 0.763 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.516 ' HB2' ' CD2' ' A' ' 66' ' ' HIS . 51.9 t -41.26 100.45 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 108.334 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.99 2.65 6.39 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.29 -63.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 15.0 p -93.45 -37.9 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.326 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.74 50.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.0 14.66 2.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.82 154.02 7.44 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -81.12 123.92 28.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.521 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 6.2 p-80 176.81 171.15 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.646 ' CZ3' ' N ' ' A' ' 54' ' ' PRO . 40.4 m95 -76.28 148.2 37.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 108.031 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.54 -50.23 60.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.0 p -68.76 -22.28 64.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.468 ' CG ' ' HB2' ' A' ' 67' ' ' TRP . 7.5 mm-40 -88.03 -3.3 58.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.683 ' SG ' HD11 ' A' ' 82' ' ' LEU . 52.0 t -57.7 116.65 3.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.94 11.34 26.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.18 166.14 20.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 110.026 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.38 -47.22 8.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.487 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 13.6 m-85 -123.09 156.93 33.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.471 ' HA ' ' HA ' ' A' ' 61' ' ' CYS . 1.0 OUTLIER -132.41 -176.15 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 58.9 tttt -37.3 150.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.49 ' CG ' ' O ' ' A' ' 78' ' ' ASP . 2.2 t70 61.22 12.83 4.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.2 44.28 94.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.123 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.447 ' ND2' ' OD1' ' A' ' 78' ' ' ASP . 31.0 m-80 -87.35 142.14 33.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.4 Cg_endo -75.01 108.01 2.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.459 1.768 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.683 HD11 ' SG ' ' A' ' 71' ' ' CYS . 4.2 mm? -39.79 151.18 0.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 18.4 Cg_endo -74.94 155.23 43.19 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.792 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 83' ' ' PRO . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.172 0 O-C-N 124.497 1.788 . . . . 0.0 111.036 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' ' CZ2' ' A' ' 67' ' ' TRP . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.66 23.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.85 -174.31 13.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 65' ' ' TYR . 16.9 tp -61.0 134.95 57.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' LYS . 47.6 t -79.45 113.18 34.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.5 Cg_endo -75.0 3.36 5.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -69.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.512 ' O ' ' CG ' ' A' ' 62' ' ' LYS . 28.9 p -79.26 -33.6 43.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.33 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' CYS . 3.4 pttm 52.4 31.93 10.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -124.43 26.96 7.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.22 169.31 23.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.551 ' CE1' HD13 ' A' ' 57' ' ' LEU . 24.7 m-85 -99.38 116.34 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 0.783 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 3.0 p-80 -177.2 156.95 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.609 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' CYS . 83.4 m95 -72.73 150.24 43.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 107.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.34 -52.31 28.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.1 t -65.67 -25.78 67.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.036 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.88 -11.31 53.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 49.7 t -50.94 119.45 3.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 108.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.14 10.38 23.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -77.37 162.02 27.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.93 -37.43 12.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 80' ' ' ASN . 46.1 m-85 -128.18 162.12 27.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.088 . . . . 0.0 111.01 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.484 ' HB3' HD22 ' A' ' 82' ' ' LEU . 8.0 p-10 -134.62 -176.79 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.05 151.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.499 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 1.4 t70 61.48 12.28 4.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 59.08 40.14 95.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.444 ' O ' ' HA ' ' A' ' 75' ' ' PHE . 30.4 m-80 -82.33 149.57 62.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LEU . 18.5 Cg_endo -75.0 103.28 1.71 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.501 ' HA ' HD13 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -38.83 99.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PRO . 18.3 Cg_endo -75.01 157.22 42.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 87.9 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.542 1.811 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' HIS . . . -104.79 145.51 15.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 64' ' ' GLY . 17.2 tp -57.95 138.83 55.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 47.7 t -88.44 111.82 46.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.342 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -74.91 1.1 8.06 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.493 1.786 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.22 -65.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 76' ' ' ASP . 32.1 p -85.93 -39.84 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.278 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.67 41.7 14.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.3 23.21 6.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.704 ' O ' HD12 ' A' ' 57' ' ' LEU . . . 160.5 -173.15 37.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.45 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 49.2 m-85 -112.74 108.19 17.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.553 ' CD2' ' HA ' ' A' ' 71' ' ' CYS . 2.7 p-80 -167.85 157.05 9.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.631 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' CYS . 86.1 m95 -73.46 146.95 44.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.02 -48.22 43.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.8 p -61.3 -33.46 73.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.19 -12.47 52.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 51.8 t -46.97 122.21 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 108.315 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.81 11.87 12.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 m -68.27 168.93 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 39.1 tttt -105.15 -40.29 5.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.5 ' C ' ' CD2' ' A' ' 82' ' ' LEU . 41.2 m-85 -125.05 143.33 50.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' HB3' ' CD2' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -131.14 -176.22 3.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' N ' ' OD1' ' A' ' 76' ' ' ASP . 0.0 OUTLIER -37.09 149.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 78' ' ' ASP . 4.6 t0 60.88 13.48 4.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.97 43.78 94.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 78' ' ' ASP . 30.7 m-80 -87.2 139.92 32.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.01 103.0 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 75' ' ' PHE . 1.3 mm? -40.38 159.42 0.14 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 155.78 43.08 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.49 1.784 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.987 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_