data_1wgx_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 1wgx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.419 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 22.2 m0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 56.0 p30 -123.3 157.09 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -38.52 -53.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -44.44 -46.23 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 9.7 mt-10 -71.29 -57.02 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -46.4 -66.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 pt20 -43.83 -40.19 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.5 mtmm -67.84 -39.83 83.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' LEU . 52.0 tp -67.06 -51.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.7 m-70 -65.49 -54.61 25.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.5 t -44.08 -70.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.32 -52.72 20.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 13.3 t80 -50.66 -30.18 12.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -88.51 -54.84 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -52.37 -53.09 49.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.486 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 8.2 mt -82.39 147.41 56.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.229 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.09 153.09 41.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.77 -5.0 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 11.0 p80 -84.56 -10.17 57.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -69.25 161.75 70.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.424 1.749 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.05 51.24 4.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 48.6 t80 -53.54 -41.05 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 28.3 m95 -64.23 -50.28 68.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.29 -33.87 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.486 ' OE1' ' CD2' ' A' ' 26' ' ' LEU . 34.6 mt-10 -73.31 -64.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.0 -24.23 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.04 -25.18 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.37 -56.08 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.0 -29.45 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 84.1 t -88.38 9.13 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.24 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 4.9 p -38.76 -29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.4 mmt180 -132.91 -176.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.3 OUTLIER -94.5 163.58 22.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -27.57 9.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.64 -22.99 58.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.14 -32.28 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 85.2 m -57.41 -27.65 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.571 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 1.8 tt0 -78.17 -52.52 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -38.36 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 20.2 m0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 44.8 p-10 -115.28 155.03 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -38.15 -50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.8 mmtt -47.86 -50.01 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.478 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.7 mt-10 -64.65 -53.65 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.9 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 6.1 pt20 -42.73 -37.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 4.2 mtmt -67.12 -44.66 79.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 39.7 tp -64.33 -53.78 43.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -61.12 -54.6 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 40.5 t -45.32 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.261 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.54 -53.24 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 15.2 t80 -50.39 -30.67 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.5 -55.17 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.06 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 4.6 mt -77.67 150.46 79.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -74.99 150.22 37.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.62 -1.21 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -98.53 16.1 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -91.86 165.76 19.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.23 47.43 3.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 47.3 t80 -50.31 -39.81 46.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -65.24 -49.2 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.67 -35.4 61.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 61.2 mt-10 -70.49 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 m -52.98 -25.3 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -73.63 -25.1 60.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.04 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.4 -32.22 60.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.8 t -85.72 9.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.43 -41.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 12.8 p -38.57 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.48 -176.46 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.2 OUTLIER -94.65 162.81 24.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -26.47 10.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.83 -22.52 56.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -86.96 -31.67 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 83.9 m -57.74 -27.47 63.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 17.0 tt0 -77.2 -47.23 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -52.98 62.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 22.5 m0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.1 p30 -117.67 155.46 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 2.5 tt0 -38.1 -51.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.78 -49.34 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 13.5 mt-10 -65.28 -54.21 32.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.89 -68.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.6 pt20 -44.17 -38.47 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 7.1 mttm -67.06 -40.61 87.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' LEU . 36.4 tp -68.34 -53.3 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -62.05 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.62 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 46.0 t -47.67 -70.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.12 -51.33 18.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 14.3 t80 -51.88 -34.04 39.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.03 -55.64 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -56.88 11.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.4 mt -76.18 146.71 78.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.28 40.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.66 -5.41 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -86.21 -3.59 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.559 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 5.1 mttm -76.13 160.92 77.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.94 49.46 4.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.553 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 46.5 t80 -52.48 -41.39 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.58 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.76 -50.62 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -52.74 -33.91 50.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 49.0 mt-10 -72.8 -64.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 m -53.01 -24.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -73.99 -25.08 59.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.16 -56.09 26.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.08 -30.91 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.675 ' O ' ' N ' ' A' ' 43' ' ' SER . 85.4 t -87.02 9.0 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.29 -42.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.675 ' N ' ' O ' ' A' ' 41' ' ' VAL . 29.6 t -38.92 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.73 -176.47 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -95.06 163.17 22.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.439 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -28.76 8.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.53 -20.55 60.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.11 -31.78 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 84.2 m -58.04 -26.33 62.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.339 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -79.18 -43.72 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -64.8 -55.04 22.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.463 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 23.9 m0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 40.5 p-10 -115.53 156.1 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -37.68 -54.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 1.4 mtmt -46.17 -49.91 16.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 34.9 mt-10 -66.09 -43.5 87.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -60.98 -67.71 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 10.8 pt20 -40.79 -38.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 10.1 mttm -67.32 -47.93 69.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' LEU . 20.6 tp -59.93 -54.81 41.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.81 -55.13 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.1 t -46.21 -70.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.23 -52.97 11.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 15.1 t80 -51.35 -30.99 20.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.83 -55.49 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -52.04 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 5.7 mt -81.17 147.01 59.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 152.31 40.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -0.64 57.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -90.48 -12.57 36.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -65.99 162.39 46.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -75.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.95 51.33 4.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 49.5 t80 -53.35 -40.33 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.575 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -64.66 -48.63 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.31 -34.85 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 50.8 mt-10 -71.97 -63.9 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.406 ' O ' ' CG2' ' A' ' 41' ' ' VAL . 3.0 m -53.03 -24.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.01 -24.9 59.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.64 -56.28 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.97 -29.9 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.5 t -88.1 9.09 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.11 -42.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -38.73 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.0 mmt180 -132.58 -176.54 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -94.55 163.81 21.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.04 -28.01 9.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.08 -23.86 59.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.06 -33.28 22.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.42 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 82.6 m -55.54 -29.27 58.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 33.9 tt0 -75.52 -49.74 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -45.39 91.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 32.4 m0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 47.5 p-10 -127.74 157.32 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -38.31 -55.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -43.99 -46.22 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 10.7 mt-10 -70.53 -57.48 4.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -47.65 -69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 13.9 pt20 -38.75 -41.41 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 7.7 mtmt -66.07 -49.68 66.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 59.2 tp -56.44 -55.92 27.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.7 m-70 -61.39 -57.3 12.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 36.5 t -42.41 -70.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.9 -54.82 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.475 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 35.7 t80 -47.29 -30.25 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -87.57 -55.13 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -56.26 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.5 mt -75.37 144.04 77.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.29 40.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.75 -1.12 57.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -92.79 10.24 31.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.58 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -90.45 164.02 28.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -76.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.39 50.79 4.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 52.9 t80 -52.49 -37.23 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 27.4 m95 -67.18 -51.76 49.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -51.27 -32.96 26.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 63.2 mt-10 -72.76 -64.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.22 -23.93 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.62 -25.11 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.2 -55.81 30.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.54 -32.1 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.5 t -85.54 9.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.14 -42.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.18 -28.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -132.39 -176.22 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.8 OUTLIER -95.4 163.21 22.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.0 -28.01 9.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -85.45 -36.01 20.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.6 m -53.25 -28.03 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 2.6 tt0 -77.7 -48.93 15.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -54.0 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.5 m0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.486 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.6 p-10 -119.06 157.43 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -38.97 -52.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -47.31 -46.28 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.4 mt-10 -69.78 -53.2 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -49.29 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.2 pt20 -41.72 -40.96 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 9.1 mtmm -63.67 -45.31 90.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' LEU . 20.7 tp -63.25 -55.62 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ALA . 17.1 m-70 -59.48 -58.35 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.3 t -43.41 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.74 -54.47 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.86 -32.45 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.0 -56.1 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -52.87 -56.37 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.6 mt -76.7 148.14 79.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.433 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.03 153.12 41.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.91 -10.96 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.433 ' CE1' ' CB ' ' A' ' 27' ' ' PRO . 4.9 p-80 -79.58 -13.78 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.615 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -65.6 157.6 78.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -68.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.69 3.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.538 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 42.6 t80 -54.38 -46.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.566 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -59.97 -46.86 88.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -56.18 -34.82 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 48.7 mt-10 -72.0 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.44 -24.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.8 -23.77 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.41 -55.65 30.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.49 -31.51 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.0 t -87.23 9.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -38.5 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -132.13 -176.42 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.5 OUTLIER -95.3 163.7 21.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.76 9.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.9 -22.59 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.06 -33.28 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 86.3 m -56.18 -26.69 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 32.9 tt0 -80.18 -52.44 7.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -56.83 -39.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.485 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 35.1 m0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.444 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 51.0 p-10 -121.15 159.74 25.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.35 -52.54 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -46.87 -47.35 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.1 mt-10 -70.06 -54.35 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -48.5 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -39.17 -40.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 10.4 mtmm -66.81 -49.57 65.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 38.3 tp -57.43 -53.68 55.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.6 m-70 -63.24 -58.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.1 t -41.97 -70.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.9 -55.56 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 11.2 t80 -50.43 -31.21 14.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.84 -56.11 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -54.12 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.057 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.5 mt -79.39 141.96 57.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.44 43.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.99 -3.78 53.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 8.58 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.566 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -89.34 167.28 18.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -83.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.86 53.02 3.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 t80 -51.65 -39.62 58.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.576 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 26.6 m95 -65.93 -47.92 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.59 -34.13 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 54.8 mt-10 -71.64 -63.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 m -53.21 -24.28 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.33 -24.52 59.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.84 -56.15 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.17 -31.16 60.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.4 t -87.12 9.17 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.4 t -38.69 -28.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.5 mmt180 -132.54 -176.44 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -94.54 164.01 21.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -29.39 8.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.49 -25.1 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.45 -37.36 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 68.1 m -51.07 -29.7 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 45.3 tt0 -75.74 -57.85 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -50.13 59.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.513 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 37.8 m0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.465 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 17.4 p30 -117.57 162.17 18.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -44.81 -49.78 10.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -48.39 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.2 mt-10 -67.53 -50.42 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -53.07 -69.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.0 pt20 -40.11 -38.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 9.7 mtmm -67.24 -48.41 67.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' LEU . 37.3 tp -59.73 -54.33 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ALA . 16.0 m-70 -61.16 -57.28 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.65 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.4 t -42.65 -70.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.285 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.43 -54.15 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 14.5 t80 -49.62 -31.04 9.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -86.77 -55.38 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -53.18 -54.11 40.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 5.7 mt -78.5 146.27 69.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 152.72 40.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.58 -1.15 57.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -87.36 -17.09 33.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.599 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 9.3 mttt -63.15 160.28 41.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -71.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.03 50.19 4.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 48.1 t80 -53.12 -39.35 63.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.793 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -65.39 -49.99 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.46 -32.44 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 54.2 mt-10 -73.8 -63.78 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.21 -24.02 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.32 -24.63 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.45 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.79 -30.64 61.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.0 t -87.84 9.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.01 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.72 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.011 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.7 mmt180 -132.24 -176.35 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -94.75 163.98 20.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.02 -29.96 7.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.0 -25.15 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -83.31 -35.77 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.467 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.6 m -52.49 -30.54 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.571 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -75.03 -53.72 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -46.07 76.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -114.31 149.24 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.23 -29.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -62.18 -46.27 89.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.1 mm-40 -72.83 -55.28 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -40.5 -68.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 11.9 pt20 -45.36 -40.54 8.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.4 mtmm -66.16 -37.47 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 48.2 tp -70.61 -53.45 15.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -63.26 -53.68 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.9 t -45.84 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.74 -52.29 19.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t80 -50.9 -30.47 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.56 -54.93 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -53.52 -51.66 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 8.3 mt -81.57 147.29 59.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.99 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.72 -6.83 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -84.8 -9.93 57.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.613 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -68.78 162.03 66.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -75.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.37 51.9 4.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 45.3 t80 -52.38 -45.62 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.769 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.7 m95 -60.97 -46.77 89.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.52 -35.57 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 28.4 mt-10 -71.3 -63.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.6 -24.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -75.24 -22.29 57.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -55.49 28.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.64 -24.78 56.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' SER . 83.2 t -94.36 8.87 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.36 -42.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -38.88 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.5 mmt180 -132.21 -176.29 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -94.72 162.67 24.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.057 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -27.98 9.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.1 -23.19 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -32.92 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 64.6 m -57.12 -27.02 61.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -78.95 -53.85 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -56.2 -35.06 66.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 14.4 m0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -133.15 -170.96 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -50.35 73.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.0 mptt -46.78 -46.01 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 44' ' ' ARG . 7.6 mt-10 -77.43 -63.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 12' ' ' ASN . 1.9 mm? -39.79 -66.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 13.0 pt20 -40.37 -46.46 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 9.9 mtmm -62.21 -46.33 89.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' LEU . 56.0 tp -60.31 -58.66 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.2 m-70 -57.99 -59.58 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.0 t -42.87 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 108.276 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.6 -56.36 5.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -48.94 -31.12 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.47 -55.93 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -53.83 -54.74 34.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 9.5 mt -78.0 142.35 64.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.51 42.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.86 -7.48 46.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.14 -6.91 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -76.26 161.9 73.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.07 53.05 3.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 49.0 t80 -55.25 -38.96 69.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.579 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -66.0 -49.19 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 108.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.71 -34.73 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 28.5 mt-10 -71.03 -63.99 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.46 -24.93 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.48 -23.75 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.21 -55.23 36.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -76.11 -31.34 58.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 43' ' ' SER . 92.9 t -87.11 9.05 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.37 -41.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.128 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 15.2 p -38.77 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 0.72 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -131.94 -176.28 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.3 OUTLIER -95.03 162.35 25.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -26.77 10.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -74.73 -22.88 58.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.49 -32.32 20.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 69.1 m -57.17 -27.42 61.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 49.8 tt0 -78.32 -48.97 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -52.66 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 16.6 m0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' GLU . 17.1 p30 -96.54 151.49 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.26 -25.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.44 -43.31 90.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -74.31 -56.34 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.1 mm? -39.82 -66.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 8.0 pt20 -47.51 -40.59 19.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.9 mtmm -65.22 -48.56 72.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 24.9 tp -59.07 -55.35 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -60.82 -54.33 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.6 t -47.32 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.79 -52.28 11.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 8.1 t80 -52.11 -31.99 33.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.6 -55.49 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -52.62 58.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 9.2 mt -79.41 148.06 69.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.39 35.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.7 -2.64 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.37 -0.01 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -78.88 166.15 44.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -79.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.51 53.56 3.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 46.0 t80 -53.28 -41.46 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.88 -48.34 77.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.68 -33.9 61.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 19.8 mt-10 -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 m -53.57 -24.01 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.93 -22.48 58.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -55.78 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.59 -24.4 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.664 ' O ' ' N ' ' A' ' 43' ' ' SER . 77.8 t -94.68 8.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.5 -41.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -39.36 -28.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.986 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -132.48 -176.29 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -95.39 162.28 25.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -28.25 9.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.63 -21.56 61.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -87.6 -33.81 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 61.7 m -55.43 -27.87 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.568 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 21.0 tt0 -77.79 -55.38 5.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.1 64.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 17.8 m0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' GLU . 15.2 p30 -105.43 153.25 21.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.41 -25.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -63.6 -44.9 92.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -75.28 -56.68 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.0 mm? -40.15 -67.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 5.6 pt20 -45.51 -40.85 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.0 mtmm -66.45 -44.9 81.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 23.7 tp -61.74 -54.32 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -62.84 -50.22 71.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.0 t -51.9 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.4 -48.68 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 10.5 t80 -53.61 -41.13 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -56.26 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -54.06 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 11.1 mt -76.72 150.18 81.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.05 144.67 30.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.88 -6.99 47.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -90.53 12.71 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' CD ' ' HG2' ' A' ' 27' ' ' PRO . 7.1 mtpp -95.87 162.01 25.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -73.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.93 53.99 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 44.8 t80 -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.566 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.5 m95 -58.82 -47.48 84.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.3 -35.29 64.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 8.6 mt-10 -72.04 -62.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -53.68 -24.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.7 -24.6 56.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' SER . 78.9 t -94.01 8.87 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.41 -41.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.22 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mmt180 -133.27 -176.32 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.3 OUTLIER -94.9 163.2 22.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.98 -28.37 9.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.75 -22.37 60.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.07 -33.58 19.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.1 m -56.0 -26.83 50.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.0 tt0 -79.46 -54.47 5.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -54.47 -34.33 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.466 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 30.6 m0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 41.0 p-10 -117.12 163.68 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.76 -50.87 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.51 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.489 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 30.6 mt-10 -67.18 -49.34 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.44 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.9 pt20 -39.45 -40.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 16.2 mtmt -63.64 -54.77 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.415 ' N ' HG21 ' A' ' 41' ' ' VAL . 26.2 tp -55.47 -56.29 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' CYS . 16.3 m-70 -57.9 -59.84 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.634 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 48.5 t -41.28 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.06 -64.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -41.47 -30.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.56 -56.22 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.2 t -55.25 -54.8 38.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 7.7 mt -79.39 140.6 56.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 157.67 42.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -93.59 -1.66 55.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -84.69 -6.61 59.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -76.76 162.53 70.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.11 50.04 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 49.3 t80 -53.56 -36.61 62.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.6 m95 -68.82 -52.58 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -50.89 -33.41 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 96.3 mt-10 -71.32 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 m -53.28 -25.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -73.83 -24.17 59.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.3 -55.55 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.45 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 43' ' ' SER . 84.6 t -85.44 9.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.03 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -37.94 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.97 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.3 mmt180 -130.95 -176.45 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.2 OUTLIER -95.31 162.56 24.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -26.37 11.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.35 -22.74 57.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.68 -33.9 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 45' ' ' SER . 82.1 m -55.41 -27.25 46.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 11.9 tt0 -78.29 -49.39 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.84 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.1 m0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 3.8 p30 -114.77 168.08 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 2.7 tt0 -41.7 -58.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 27.2 mttt -42.94 -50.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.52 -52.82 49.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.3 mm? -53.18 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.6 pt20 -43.23 -37.39 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.6 mtmm -69.65 -42.95 73.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 35.8 tp -64.27 -50.06 69.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ALA . 13.1 m-70 -66.66 -56.42 10.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.0 t -44.0 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.0 -54.41 6.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.537 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 4.3 t80 -51.76 -30.55 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.66 -56.17 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -51.99 62.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.3 mt -78.39 151.29 77.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.54 33.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.72 -0.91 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -99.93 17.58 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 1.5 mttm -93.7 162.88 26.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.48 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 47.0 t80 -52.0 -40.82 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.58 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.2 m95 -63.46 -48.87 75.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.18 -32.51 55.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 59.3 mt-10 -73.63 -63.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.41 -23.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.86 -24.0 58.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.2 -55.44 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.72 -32.15 59.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.1 t -86.8 9.23 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.15 -42.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.0 m -38.71 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -131.68 -176.46 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -94.99 163.67 21.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -30.83 6.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -70.41 -23.11 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -85.56 -34.43 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.485 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.3 m -54.06 -29.67 45.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 108.337 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -76.03 -50.45 14.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -48.87 78.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.493 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 14.6 m0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 15' ' ' GLU . 53.0 p30 -111.17 155.83 22.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -42.64 -27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' ASN . 10.2 mttt -62.49 -47.27 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.0 mm-40 -75.17 -55.91 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.1 mm? -39.84 -67.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 22.3 pt20 -45.94 -41.37 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 9.0 mtmm -64.9 -50.1 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.5 tp -57.03 -55.36 35.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -61.35 -57.84 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.62 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 53.7 t -44.56 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.95 -55.74 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 3.7 t80 -50.26 -31.35 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -84.5 -55.99 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -54.32 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 12.1 mt -79.85 147.05 65.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.532 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -75.02 153.19 41.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -12.77 30.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 13.5 p80 -76.85 -12.12 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.558 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -67.77 158.99 81.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.58 49.73 4.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 40.7 t80 -53.04 -47.82 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.578 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 25.5 m95 -59.49 -46.85 87.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 107.992 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.19 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' OE2' ' CD ' ' A' ' 30' ' ' LYS . 38.4 mt-10 -71.91 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.36 -23.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.68 -24.2 58.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -56.22 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.85 -28.79 60.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 43' ' ' SER . 83.8 t -89.38 8.99 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.2 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.668 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.15 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.027 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.0 mmt180 -132.88 -176.16 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -95.35 163.88 20.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.03 -28.31 9.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.66 -23.13 60.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.03 -36.3 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.445 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 69.6 m -53.05 -26.68 16.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.295 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.578 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -78.77 -56.33 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -55.04 13.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 26.8 m0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.442 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 46.4 p30 -124.65 153.93 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -37.56 -47.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.6 -51.13 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE2' ' ND2' ' A' ' 12' ' ' ASN . 9.8 mt-10 -63.95 -59.9 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -41.74 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -44.95 -37.78 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 4.6 mtmm -67.59 -39.53 84.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' LEU . 32.5 tp -70.23 -53.37 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -61.32 -52.15 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.7 t -46.31 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 37' ' ' VAL . . . -47.63 -51.69 20.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.61 -31.0 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.52 -55.18 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -53.38 51.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 5.9 mt -79.51 145.26 63.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.79 41.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.97 -1.02 57.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -89.96 -4.16 57.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 12.8 mttm -76.09 161.61 74.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -72.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.85 49.49 4.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 46.4 t80 -51.7 -42.6 62.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.7 m95 -62.2 -54.57 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -49.87 -32.17 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 60.1 mt-10 -73.83 -64.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.418 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 2.6 m -53.71 -24.75 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.74 -23.02 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.36 -55.96 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.39 -27.04 58.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.0 t -91.61 9.36 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -21.93 -42.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 11.2 t -38.71 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.3 mmt180 -131.38 -175.77 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.81 162.41 23.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.447 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -24.35 12.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -76.35 -21.6 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -86.75 -36.05 18.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.9 m -53.11 -29.5 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -76.67 -47.67 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -66.79 -48.47 68.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.517 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -119.3 159.44 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -47.96 77.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.517 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -77.73 -54.7 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -40.71 -66.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 21.3 pt20 -45.82 -41.01 10.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -66.09 -51.65 56.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 26.7 tp -55.34 -56.47 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 24' ' ' ALA . 14.3 m-70 -59.28 -59.34 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.8 t -43.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.84 -56.39 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -49.2 -32.8 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -83.25 -56.07 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.81 -54.49 33.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 12.2 mt -81.2 144.1 53.63 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HB2' ' ND1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -74.99 155.93 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.79 -12.76 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.404 ' ND1' ' HB2' ' A' ' 27' ' ' PRO . 12.0 p-80 -75.04 -8.91 57.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -72.09 160.5 82.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -74.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.22 50.83 4.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 45.2 t80 -52.13 -45.17 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.575 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -61.88 -47.93 82.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -55.02 -35.22 64.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' OE1' ' CD2' ' A' ' 26' ' ' LEU . 35.3 mt-10 -72.03 -63.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 m -53.04 -23.75 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.58 -25.51 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -58.53 -56.3 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.93 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' ' N ' ' A' ' 43' ' ' SER . 72.4 t -85.91 9.03 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.666 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.27 -28.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.973 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -133.25 -176.44 4.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.5 OUTLIER -94.63 163.79 21.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -27.56 9.84 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.755 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.42 -22.89 60.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 42.0 mt-10 -85.95 -35.25 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.449 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.4 m -54.35 -27.57 36.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 108.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 18.2 tt0 -78.98 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -44.89 -43.0 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.8 m0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 36.4 p30 -98.18 150.89 21.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -38.27 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 mtmt -61.21 -56.72 17.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.518 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.8 mm-40 -62.31 -45.08 94.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.14 -69.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.0 pt20 -47.08 -35.78 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 7.8 mtmm -66.67 -51.19 58.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 20.6 tp -58.98 -53.82 54.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -59.74 -54.81 41.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.579 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.3 t -47.2 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.57 -53.13 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t80 -51.62 -31.26 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -55.51 3.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -51.33 61.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.1 mt -82.31 147.08 55.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 151.41 39.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.85 -1.7 56.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -94.53 12.51 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -91.38 165.38 21.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.52 1.8 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.34 51.02 4.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 51.6 t80 -52.96 -36.59 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -67.97 -48.35 66.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.49 -34.97 62.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 67.6 mt-10 -71.3 -64.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 m -53.48 -23.96 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.53 -23.23 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -56.14 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.19 -23.83 57.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.663 ' O ' ' N ' ' A' ' 43' ' ' SER . 75.7 t -94.88 8.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.49 -42.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.57 -28.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.1 mmt180 -132.64 -176.29 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.3 OUTLIER -95.41 162.36 24.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -28.92 8.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -71.86 -22.63 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -86.6 -35.1 19.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 64.9 m -53.79 -27.19 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -78.4 -54.58 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.486 ' N ' HE21 ' A' ' 50' ' ' GLN . 2.7 mtp180 -55.86 -40.85 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CE ' ' HB2' ' A' ' 11' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.6 m0 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 157.06 18.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.0 -19.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -72.71 -41.78 64.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 3.2 mm-40 -74.15 -57.71 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.18 -65.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 19.7 pt20 -46.21 -39.77 10.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 7.5 mtmt -67.79 -50.98 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 18.0 tp -55.48 -55.39 32.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -61.1 -56.74 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.3 t -45.89 -70.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.17 -54.53 6.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.491 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 13.4 t80 -50.67 -31.37 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.36 -55.76 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -55.18 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 10.0 mt -75.17 150.11 85.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.2 Cg_endo -75.02 146.52 32.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.6 -1.08 57.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -100.84 18.93 18.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -95.02 167.38 13.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -75.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.79 48.37 3.99 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 40.1 t80 -49.64 -44.6 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.58 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 23.7 m95 -60.03 -49.36 77.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -53.6 -35.94 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 51.2 mt-10 -70.3 -63.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.65 -24.42 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -75.08 -22.43 58.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.91 -55.88 25.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.95 -26.19 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.663 ' O ' ' N ' ' A' ' 43' ' ' SER . 92.9 t -93.03 8.95 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.9 -28.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 0.79 . . . . 0.0 110.019 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.7 mmt180 -131.8 -176.52 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -95.1 162.79 23.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -25.38 11.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.25 -21.65 58.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 53.0 mt-10 -86.31 -35.22 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 85.5 m -53.63 -29.58 38.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.58 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -76.08 -55.89 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -45.84 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.4 m0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' GLU . 20.6 p30 -97.05 152.53 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' ASN . 1.9 mp0 -37.05 -41.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 11.9 mttp -53.93 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 5.0 mm-40 -47.14 -36.05 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.97 -69.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.5 pt20 -44.04 -33.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 7.8 mttp -66.64 -56.88 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 26.2 tp -54.09 -50.91 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -61.88 -58.59 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.552 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 50.3 t -46.14 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 37' ' ' VAL . . . -44.42 -54.47 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 34.2 t80 -52.15 -28.75 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -87.0 -55.88 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.0 m -55.31 -52.71 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 4.3 mt -81.41 148.33 62.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.469 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.01 153.11 41.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.88 -1.08 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -101.47 18.05 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 1.9 mttm -91.48 167.34 15.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.426 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 -79.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.37 49.06 3.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 53.8 t80 -51.27 -39.8 57.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 24.8 m95 -66.73 -46.21 76.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.45 -34.23 66.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 54.5 mt-10 -71.85 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.424 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 7.1 m -53.48 -23.26 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -75.13 -22.85 57.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.95 -56.4 19.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.57 58.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.7 t -95.29 8.68 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.16 -42.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.656 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.16 -28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.9 mmt180 -132.1 -176.16 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -95.46 162.91 22.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.456 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.97 -27.71 9.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -72.47 -23.39 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -85.68 -34.08 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 61.3 m -54.73 -27.91 44.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 46.2 tt0 -77.17 -51.39 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -44.38 83.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -76.85 163.87 26.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -177.31 169.94 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.81 159.59 8.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -139.16 115.53 10.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -136.52 123.49 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.9 60.75 0.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' GLU . 7.2 t0 -176.63 101.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 97.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ASP . 2.3 mt-10 -157.76 168.27 27.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.419 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 22.2 m0 -100.53 -179.27 4.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 107.962 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 56.0 p30 -123.3 157.09 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -38.52 -53.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -44.44 -46.23 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 9.7 mt-10 -71.29 -57.02 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -46.4 -66.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 pt20 -43.83 -40.19 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.5 mtmm -67.84 -39.83 83.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' LEU . 52.0 tp -67.06 -51.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.7 m-70 -65.49 -54.61 25.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.5 t -44.08 -70.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.32 -52.72 20.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 13.3 t80 -50.66 -30.18 12.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -88.51 -54.84 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -52.37 -53.09 49.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.486 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 8.2 mt -82.39 147.41 56.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.229 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.563 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.09 153.09 41.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.77 -5.0 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 11.0 p80 -84.56 -10.17 57.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -69.25 161.75 70.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.424 1.749 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.05 51.24 4.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 48.6 t80 -53.54 -41.05 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 28.3 m95 -64.23 -50.28 68.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.29 -33.87 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.486 ' OE1' ' CD2' ' A' ' 26' ' ' LEU . 34.6 mt-10 -73.31 -64.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.0 -24.23 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.04 -25.18 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.37 -56.08 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.0 -29.45 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 84.1 t -88.38 9.13 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.24 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 4.9 p -38.76 -29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.4 mmt180 -132.91 -176.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.3 OUTLIER -94.5 163.58 22.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -27.57 9.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.64 -22.99 58.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.14 -32.28 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 85.2 m -57.41 -27.65 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.571 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 1.8 tt0 -78.17 -52.52 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -38.36 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -66.73 -60.3 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.583 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 22.1 t80 -51.1 -48.54 61.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.6 mtt -43.9 -39.34 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.68 -44.74 48.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -122.59 77.02 46.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.68 -45.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.21 -122.8 2.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.12 -156.98 23.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -153.8 126.38 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.018 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.85 145.07 38.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 126.71 17.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -101.85 -63.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.6 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.21 155.44 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 m 42.75 72.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -57.17 155.68 8.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.008 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.84 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.84 7.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.9 p -107.69 139.13 42.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 m -135.54 -57.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -171.32 113.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -47.71 -58.27 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.55 158.12 8.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.13 132.71 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 p -68.71 114.96 7.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.43 126.11 1.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.65 144.86 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -128.68 56.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -110.05 157.04 19.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 20.2 m0 -94.16 175.53 6.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 108.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 44.8 p-10 -115.28 155.03 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -38.15 -50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.8 mmtt -47.86 -50.01 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.7 mt-10 -64.65 -53.65 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.9 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 6.1 pt20 -42.73 -37.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 4.2 mtmt -67.12 -44.66 79.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 39.7 tp -64.33 -53.78 43.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -61.12 -54.6 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 40.5 t -45.32 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.261 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.54 -53.24 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.453 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 15.2 t80 -50.39 -30.67 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.5 -55.17 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.06 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 4.6 mt -77.67 150.46 79.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -74.99 150.22 37.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.62 -1.21 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -98.53 16.1 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -91.86 165.76 19.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.23 47.43 3.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 47.3 t80 -50.31 -39.81 46.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -65.24 -49.2 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.67 -35.4 61.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 61.2 mt-10 -70.49 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 m -52.98 -25.3 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -73.63 -25.1 60.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.04 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.4 -32.22 60.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.8 t -85.72 9.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.43 -41.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 12.8 p -38.57 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.48 -176.46 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.2 OUTLIER -94.65 162.81 24.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -26.47 10.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.83 -22.52 56.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -86.96 -31.67 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 83.9 m -57.74 -27.47 63.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 17.0 tt0 -77.2 -47.23 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -52.98 62.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -55.09 -66.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.453 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 48.6 t80 -41.52 -52.9 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.411 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 7.6 mmm -53.34 -40.59 64.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.31 -41.38 85.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -126.99 76.41 75.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -58.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -151.55 86.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.11 99.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.3 133.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.66 129.41 3.42 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -109.27 -58.22 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 66.57 135.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt 60.51 104.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.57 118.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.579 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t 58.05 101.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.15 121.48 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.79 84.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.11 79.37 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.24 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.12 168.29 19.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.26 165.87 26.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p 179.41 141.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -116.02 127.25 54.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.95 167.57 9.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.71 -57.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -124.37 163.36 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.82 -71.3 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -168.5 87.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -165.32 57.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -125.03 167.43 14.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 22.5 m0 -89.48 177.14 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.1 p30 -117.67 155.46 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 2.5 tt0 -38.1 -51.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.78 -49.34 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 13.5 mt-10 -65.28 -54.21 32.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.89 -68.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.6 pt20 -44.17 -38.47 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 7.1 mttm -67.06 -40.61 87.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 16' ' ' LEU . 36.4 tp -68.34 -53.3 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -62.05 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.62 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 46.0 t -47.67 -70.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.12 -51.33 18.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 14.3 t80 -51.88 -34.04 39.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.03 -55.64 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -56.88 11.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.4 mt -76.18 146.71 78.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.28 40.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.66 -5.41 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -86.21 -3.59 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.559 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 5.1 mttm -76.13 160.92 77.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.94 49.46 4.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.553 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 46.5 t80 -52.48 -41.39 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.58 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.76 -50.62 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -52.74 -33.91 50.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 49.0 mt-10 -72.8 -64.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 m -53.01 -24.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -73.99 -25.08 59.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.16 -56.09 26.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.08 -30.91 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.675 ' O ' ' N ' ' A' ' 43' ' ' SER . 85.4 t -87.02 9.0 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.29 -42.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.675 ' N ' ' O ' ' A' ' 41' ' ' VAL . 29.6 t -38.92 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.73 -176.47 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.405 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -95.06 163.17 22.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.439 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -28.76 8.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.53 -20.55 60.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.11 -31.78 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 84.2 m -58.04 -26.33 62.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.339 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -79.18 -43.72 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -64.8 -55.04 22.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 -66.6 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -42.79 -57.42 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 17.6 mmm -49.21 -42.97 42.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.66 -42.46 95.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -126.61 76.17 74.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.26 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 45.63 86.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.341 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.78 -78.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.19 113.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.03 -154.89 26.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 m 61.54 144.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -164.13 140.71 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -177.17 169.55 2.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.64 134.03 35.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.622 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.29 148.96 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -138.63 153.29 48.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t 62.54 164.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.64 74.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -52.62 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t 66.32 153.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.1 m 64.29 124.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t 59.56 107.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t 60.7 167.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.44 -145.67 14.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -114.24 90.13 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t 50.41 97.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.44 -154.22 25.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.61 135.85 57.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 125.58 38.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -137.93 158.78 43.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.463 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 23.9 m0 -97.89 178.93 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 40.5 p-10 -115.53 156.1 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -37.68 -54.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 1.4 mtmt -46.17 -49.91 16.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 34.9 mt-10 -66.09 -43.5 87.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -60.98 -67.71 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 10.8 pt20 -40.79 -38.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 10.1 mttm -67.32 -47.93 69.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' LEU . 20.6 tp -59.93 -54.81 41.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.81 -55.13 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.1 t -46.21 -70.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.23 -52.97 11.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.482 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 15.1 t80 -51.35 -30.99 20.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.83 -55.49 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -52.04 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 5.7 mt -81.17 147.01 59.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 152.31 40.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -0.64 57.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -90.48 -12.57 36.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -65.99 162.39 46.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -75.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.95 51.33 4.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 49.5 t80 -53.35 -40.33 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.575 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -64.66 -48.63 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.31 -34.85 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 50.8 mt-10 -71.97 -63.9 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.406 ' O ' ' CG2' ' A' ' 41' ' ' VAL . 3.0 m -53.03 -24.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.01 -24.9 59.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.64 -56.28 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.97 -29.9 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.5 t -88.1 9.09 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.11 -42.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -38.73 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.0 mmt180 -132.58 -176.54 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.408 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -94.55 163.81 21.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.04 -28.01 9.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.08 -23.86 59.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.06 -33.28 22.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.42 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 82.6 m -55.54 -29.27 58.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 33.9 tt0 -75.52 -49.74 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -45.39 91.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -59.47 -58.75 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.482 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 29.0 t80 -52.56 -47.89 66.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 mtt -47.02 -44.53 20.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.2 -46.49 70.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -124.08 77.01 59.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -51.92 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.27 -51.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.3 -159.08 2.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -175.05 128.77 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.04 72.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.16 169.57 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 68.62 153.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.56 168.48 24.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.61 144.65 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 p -43.68 149.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 t -74.53 62.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 t -118.73 110.03 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.44 158.28 0.9 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -65.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.23 75.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 p -146.72 165.79 28.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -96.52 167.24 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -144.94 114.87 7.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.014 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.94 97.71 2.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -173.44 90.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 0.779 . . . . 0.0 109.938 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.29 104.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.01 69.28 0.84 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.66 152.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.259 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -107.65 124.13 49.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -152.06 171.01 18.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.43 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 32.4 m0 -88.59 -175.03 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 47.5 p-10 -127.74 157.32 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -38.31 -55.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -43.99 -46.22 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 10.7 mt-10 -70.53 -57.48 4.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -47.65 -69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 13.9 pt20 -38.75 -41.41 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 7.7 mtmt -66.07 -49.68 66.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 59.2 tp -56.44 -55.92 27.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.7 m-70 -61.39 -57.3 12.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 36.5 t -42.41 -70.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.9 -54.82 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.51 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 35.7 t80 -47.29 -30.25 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -87.57 -55.13 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -56.26 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.5 mt -75.37 144.04 77.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.29 40.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.75 -1.12 57.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -92.79 10.24 31.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.58 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -90.45 164.02 28.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -76.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.39 50.79 4.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 52.9 t80 -52.49 -37.23 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 27.4 m95 -67.18 -51.76 49.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -51.27 -32.96 26.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 63.2 mt-10 -72.76 -64.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.22 -23.93 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.62 -25.11 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.2 -55.81 30.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.54 -32.1 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.5 t -85.54 9.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.14 -42.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.18 -28.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -132.39 -176.22 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.8 OUTLIER -95.4 163.21 22.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.0 -28.01 9.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -85.45 -36.01 20.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.6 m -53.25 -28.03 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 2.6 tt0 -77.7 -48.93 15.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -54.0 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.63 -67.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.51 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 43.6 t80 -41.58 -58.1 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 mmm -49.39 -39.92 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.91 -41.57 74.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -126.54 75.33 74.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -63.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.425 1.75 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.2 -61.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.55 150.24 22.22 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.81 158.64 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.65 -146.94 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.66 151.66 39.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.11 97.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 162.33 35.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -170.58 149.36 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.586 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.38 131.13 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.8 t -165.74 116.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 t -107.43 145.56 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.54 89.56 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.39 14.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -115.17 144.71 43.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.37 163.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -63.42 -58.49 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.776 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -91.99 -58.09 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.69 -143.94 17.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -127.02 79.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -133.34 98.2 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.26 89.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.98 135.1 57.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.85 55.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -132.64 148.83 52.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.107 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -94.6 176.38 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.486 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.6 p-10 -119.06 157.43 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -38.97 -52.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -47.31 -46.28 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.4 mt-10 -69.78 -53.2 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -49.29 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.2 pt20 -41.72 -40.96 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 9.1 mtmm -63.67 -45.31 90.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' LEU . 20.7 tp -63.25 -55.62 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ALA . 17.1 m-70 -59.48 -58.35 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.3 t -43.41 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.74 -54.47 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.86 -32.45 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.0 -56.1 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -52.87 -56.37 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.6 mt -76.7 148.14 79.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.433 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.03 153.12 41.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.91 -10.96 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.433 ' CE1' ' CB ' ' A' ' 27' ' ' PRO . 4.9 p-80 -79.58 -13.78 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.615 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -65.6 157.6 78.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -68.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.69 3.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.538 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 42.6 t80 -54.38 -46.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.566 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -59.97 -46.86 88.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -56.18 -34.82 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 48.7 mt-10 -72.0 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.44 -24.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.8 -23.77 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.41 -55.65 30.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.49 -31.51 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.0 t -87.23 9.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -38.5 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -132.13 -176.42 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.5 OUTLIER -95.3 163.7 21.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -27.76 9.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.9 -22.59 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.06 -33.28 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 86.3 m -56.18 -26.69 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 32.9 tt0 -80.18 -52.44 7.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -56.83 -39.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -58.76 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -52.71 -52.82 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.9 mtt -40.27 -44.75 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.16 -47.97 69.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -122.28 77.4 43.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.97 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.31 86.27 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.7 82.24 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -141.13 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.47 -152.87 19.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.563 1.164 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.19 153.1 23.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -130.39 -58.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.46 165.74 19.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.3 65.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.5 t -55.89 124.17 8.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 t -120.23 124.84 46.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.5 m 55.47 167.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.44 -83.48 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.6 p -66.04 131.46 46.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -168.65 134.85 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.07 148.6 46.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 0.715 . . . . 0.0 110.068 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -138.42 94.83 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.45 103.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -62.7 123.54 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -74.33 98.96 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.72 159.41 31.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.76 94.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.83 112.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -162.09 162.02 28.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 35.1 m0 -103.0 -177.52 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 51.0 p-10 -121.15 159.74 25.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.35 -52.54 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -46.87 -47.35 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.1 mt-10 -70.06 -54.35 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -48.5 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -39.17 -40.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 10.4 mtmm -66.81 -49.57 65.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 38.3 tp -57.43 -53.68 55.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.6 m-70 -63.24 -58.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.1 t -41.97 -70.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.9 -55.56 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 11.2 t80 -50.43 -31.21 14.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.84 -56.11 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -54.12 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.057 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.5 mt -79.39 141.96 57.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.44 43.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.99 -3.78 53.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 8.58 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.566 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -89.34 167.28 18.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -83.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.86 53.02 3.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 t80 -51.65 -39.62 58.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.576 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 26.6 m95 -65.93 -47.92 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.59 -34.13 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 54.8 mt-10 -71.64 -63.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 m -53.21 -24.28 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.33 -24.52 59.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.84 -56.15 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.17 -31.16 60.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.4 t -87.12 9.17 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.4 t -38.69 -28.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.5 mmt180 -132.54 -176.44 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -94.54 164.01 21.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -29.39 8.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.49 -25.1 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.45 -37.36 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 68.1 m -51.07 -29.7 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 45.3 tt0 -75.74 -57.85 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -50.13 59.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -54.29 -64.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.437 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 32.8 t80 -41.73 -56.2 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 mtp -40.84 -46.14 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.01 -47.35 80.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -126.62 76.19 74.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.489 1.783 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.4 100.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.1 -173.71 25.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 167.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.99 -119.6 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 t -118.96 94.12 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.84 157.57 15.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? 58.47 69.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -171.9 -61.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.36 151.35 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.8 p -57.15 152.7 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' GLY . 44.5 m -62.88 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' SER . . . -37.09 98.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 103.49 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m 63.16 106.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.5 p -72.3 125.35 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.033 179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.23 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m 62.65 112.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.66 -175.03 1.79 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.96 82.25 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 t -153.69 90.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.14 -156.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.88 176.33 9.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -155.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.17 171.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.513 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 37.8 m0 -85.79 -177.61 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.465 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 17.4 p30 -117.57 162.17 18.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -44.81 -49.78 10.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -48.39 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.2 mt-10 -67.53 -50.42 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -53.07 -69.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.0 pt20 -40.11 -38.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 9.7 mtmm -67.24 -48.41 67.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 16' ' ' LEU . 37.3 tp -59.73 -54.33 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ALA . 16.0 m-70 -61.16 -57.28 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.65 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.4 t -42.65 -70.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.285 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.43 -54.15 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.6 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 14.5 t80 -49.62 -31.04 9.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -86.77 -55.38 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -53.18 -54.11 40.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 5.7 mt -78.5 146.27 69.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 152.72 40.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.58 -1.15 57.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -87.36 -17.09 33.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.599 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 9.3 mttt -63.15 160.28 41.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -71.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.03 50.19 4.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 48.1 t80 -53.12 -39.35 63.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.793 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -65.39 -49.99 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.46 -32.44 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 54.2 mt-10 -73.8 -63.78 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.21 -24.02 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.32 -24.63 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.45 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.79 -30.64 61.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.0 t -87.84 9.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.01 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.72 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.011 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.7 mmt180 -132.24 -176.35 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -94.75 163.98 20.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.02 -29.96 7.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.0 -25.15 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -83.31 -35.77 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.467 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.6 m -52.49 -30.54 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.571 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -75.03 -53.72 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -46.07 76.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -58.57 -65.76 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.6 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 28.9 t80 -42.21 -53.81 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.7 mtp -40.32 -43.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.22 -48.23 74.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -123.55 76.6 54.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -51.36 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.09 -160.94 32.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.71 169.15 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.31 -90.5 1.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 p 61.56 69.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.31 154.87 19.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.39 152.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.71 125.6 17.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.6 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.5 t -89.87 120.61 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -151.29 139.34 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -117.55 -59.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.59 176.84 50.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 130.48 13.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -97.58 -58.71 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.98 -58.55 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 153.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t 62.71 111.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.66 -97.63 0.17 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -106.74 88.09 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.046 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p 41.21 77.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.67 84.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.28 164.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.0 29.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -96.1 165.2 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 -107.62 177.0 4.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -114.31 149.24 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.23 -29.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -62.18 -46.27 89.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.1 mm-40 -72.83 -55.28 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -40.5 -68.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 11.9 pt20 -45.36 -40.54 8.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.4 mtmm -66.16 -37.47 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 48.2 tp -70.61 -53.45 15.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -63.26 -53.68 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.9 t -45.84 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.74 -52.29 19.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t80 -50.9 -30.47 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.56 -54.93 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -53.52 -51.66 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 8.3 mt -81.57 147.29 59.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.99 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.72 -6.83 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -84.8 -9.93 57.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.613 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -68.78 162.03 66.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -75.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.37 51.9 4.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 45.3 t80 -52.38 -45.62 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.769 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.569 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.7 m95 -60.97 -46.77 89.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.52 -35.57 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 28.4 mt-10 -71.3 -63.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.6 -24.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -75.24 -22.29 57.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -55.49 28.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.64 -24.78 56.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' SER . 83.2 t -94.36 8.87 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.36 -42.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -38.88 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.5 mmt180 -132.21 -176.29 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -94.72 162.67 24.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.057 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.46 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -27.98 9.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.1 -23.19 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -32.92 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 64.6 m -57.12 -27.02 61.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.569 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -78.95 -53.85 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -56.2 -35.06 66.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -59.33 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.83 -51.54 60.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 mtt -42.93 -43.27 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.22 -51.2 59.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -124.37 76.9 61.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.11 87.64 3.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.53 -96.24 0.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.12 170.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.27 -71.79 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 p -58.13 167.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.85 141.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -132.98 172.08 13.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 18.7 p80 -78.54 -56.11 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 93.3 t 63.56 128.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 p -99.72 163.52 12.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.8 p -53.46 134.18 40.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.37 68.37 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.94 42.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.62 159.83 40.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.6 p -80.05 133.42 36.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -159.63 162.47 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -58.52 7.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.14 133.93 11.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.456 1.097 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -46.3 130.88 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.87 137.77 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.951 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.65 90.16 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.96 102.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -125.79 129.53 49.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 48.12 -176.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 14.4 m0 -95.47 -176.2 3.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.487 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -133.15 -170.96 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -50.35 73.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.0 mptt -46.78 -46.01 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 44' ' ' ARG . 7.6 mt-10 -77.43 -63.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 12' ' ' ASN . 1.9 mm? -39.79 -66.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 13.0 pt20 -40.37 -46.46 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 9.9 mtmm -62.21 -46.33 89.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' LEU . 56.0 tp -60.31 -58.66 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.2 m-70 -57.99 -59.58 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.0 t -42.87 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 108.276 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.6 -56.36 5.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -48.94 -31.12 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.47 -55.93 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -53.83 -54.74 34.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 9.5 mt -78.0 142.35 64.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.51 42.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.86 -7.48 46.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.14 -6.91 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -76.26 161.9 73.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.07 53.05 3.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 49.0 t80 -55.25 -38.96 69.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.579 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -66.0 -49.19 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 108.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.71 -34.73 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 28.5 mt-10 -71.03 -63.99 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.46 -24.93 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.48 -23.75 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.21 -55.23 36.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -76.11 -31.34 58.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 43' ' ' SER . 92.9 t -87.11 9.05 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.37 -41.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.128 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 15.2 p -38.77 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 0.72 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -131.94 -176.28 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.3 OUTLIER -95.03 162.35 25.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -26.77 10.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -74.73 -22.88 58.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.49 -32.32 20.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 69.1 m -57.17 -27.42 61.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.579 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 49.8 tt0 -78.32 -48.97 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -52.66 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -67.76 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -38.66 -57.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -43.41 47.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.14 -44.73 87.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -125.35 76.82 68.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -131.97 -56.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.66 -178.36 36.68 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 175.24 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.54 55.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.0 p -176.69 105.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -162.47 -61.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -116.13 167.42 11.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.89 173.93 11.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.613 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.0 p -42.36 136.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -122.24 119.01 29.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.418 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -79.31 173.78 12.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.3 160.8 28.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -177.47 3.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.5 145.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.4 163.92 31.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -102.08 116.7 33.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -76.62 -54.63 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.09 -155.4 6.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 61.18 119.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -154.96 173.83 16.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.45 110.38 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.08 85.49 2.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -135.7 90.04 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -153.77 -178.53 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 16.6 m0 -101.62 155.97 17.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' GLU . 17.1 p30 -96.54 151.49 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.26 -25.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.44 -43.31 90.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -74.31 -56.34 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.1 mm? -39.82 -66.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 8.0 pt20 -47.51 -40.59 19.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.9 mtmm -65.22 -48.56 72.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 24.9 tp -59.07 -55.35 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -60.82 -54.33 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.6 t -47.32 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.79 -52.28 11.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 8.1 t80 -52.11 -31.99 33.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.6 -55.49 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -52.62 58.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 9.2 mt -79.41 148.06 69.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.39 35.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.57 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.7 -2.64 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.37 -0.01 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -78.88 166.15 44.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -79.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.51 53.56 3.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 46.0 t80 -53.28 -41.46 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.88 -48.34 77.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.68 -33.9 61.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 19.8 mt-10 -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 m -53.57 -24.01 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.93 -22.48 58.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -55.78 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.59 -24.4 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.664 ' O ' ' N ' ' A' ' 43' ' ' SER . 77.8 t -94.68 8.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.5 -41.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -39.36 -28.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.986 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -132.48 -176.29 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -95.39 162.28 25.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -28.25 9.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.63 -21.56 61.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -87.6 -33.81 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 61.7 m -55.43 -27.87 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.568 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 21.0 tt0 -77.79 -55.38 5.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.1 64.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -61.74 -61.64 2.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.413 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 23.0 t80 -48.5 -51.4 27.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.0 mtt -43.82 -44.1 6.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.91 -50.73 47.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -123.75 77.18 56.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -50.69 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.58 90.81 1.34 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -155.22 -146.38 4.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 159.09 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.9 107.12 1.09 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 t -138.04 92.23 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 110.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -112.58 98.36 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 172.37 15.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -95.32 123.04 38.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 m -54.54 133.25 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 t -122.11 135.74 54.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -108.16 165.01 11.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.92 94.15 0.1 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.1 11.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.76 145.31 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -91.52 160.47 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -116.74 -59.01 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.41 130.34 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.53 -168.88 25.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.11 98.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m 54.59 96.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.13 157.46 27.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.35 -176.76 5.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -159.91 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 58.08 174.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 17.8 m0 -85.67 160.93 19.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' GLU . 15.2 p30 -105.43 153.25 21.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.41 -25.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -63.6 -44.9 92.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -75.28 -56.68 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.0 mm? -40.15 -67.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 5.6 pt20 -45.51 -40.85 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.0 mtmm -66.45 -44.9 81.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 23.7 tp -61.74 -54.32 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -62.84 -50.22 71.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.0 t -51.9 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.4 -48.68 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 10.5 t80 -53.61 -41.13 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -56.26 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -54.06 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 11.1 mt -76.72 150.18 81.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.05 144.67 30.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.88 -6.99 47.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -90.53 12.71 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' CD ' ' HG2' ' A' ' 27' ' ' PRO . 7.1 mtpp -95.87 162.01 25.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -73.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.93 53.99 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 44.8 t80 -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.566 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.5 m95 -58.82 -47.48 84.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.3 -35.29 64.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 8.6 mt-10 -72.04 -62.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -53.68 -24.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.7 -24.6 56.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' SER . 78.9 t -94.01 8.87 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.41 -41.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.22 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mmt180 -133.27 -176.32 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.3 OUTLIER -94.9 163.2 22.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.429 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.98 -28.37 9.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.75 -22.37 60.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.07 -33.58 19.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.1 m -56.0 -26.83 50.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.0 tt0 -79.46 -54.47 5.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -54.47 -34.33 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -62.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -52.05 -38.98 58.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.8 mtt -55.83 -45.86 78.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.5 -48.39 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -122.53 77.16 46.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -164.1 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.3 ptt85 -90.54 138.36 31.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.29 157.05 0.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.97 89.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.63 147.86 6.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.6 -66.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.983 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -171.73 160.04 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -175.65 152.43 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.37 93.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -55.68 -61.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 t -138.08 150.55 46.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.5 t -131.74 -54.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.96 159.13 24.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 175.01 11.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 t -69.51 141.55 53.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.43 157.37 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -81.3 -58.54 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 0.723 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.57 -58.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.04 -74.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m 58.7 102.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t 58.32 164.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.23 56.36 2.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.21 142.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.5 32.17 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -48.43 158.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.466 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 30.6 m0 -97.87 -176.12 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 41.0 p-10 -117.12 163.68 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.76 -50.87 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.51 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.489 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 30.6 mt-10 -67.18 -49.34 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -53.44 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.9 pt20 -39.45 -40.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 16.2 mtmt -63.64 -54.77 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.415 ' N ' HG21 ' A' ' 41' ' ' VAL . 26.2 tp -55.47 -56.29 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' CYS . 16.3 m-70 -57.9 -59.84 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.634 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 48.5 t -41.28 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.06 -64.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.425 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 6.8 t80 -41.47 -30.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.56 -56.22 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.2 t -55.25 -54.8 38.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 7.7 mt -79.39 140.6 56.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 157.67 42.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -93.59 -1.66 55.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -84.69 -6.61 59.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -76.76 162.53 70.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.11 50.04 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 49.3 t80 -53.56 -36.61 62.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.6 m95 -68.82 -52.58 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -50.89 -33.41 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 96.3 mt-10 -71.32 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 m -53.28 -25.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -73.83 -24.17 59.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.3 -55.55 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.45 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 43' ' ' SER . 84.6 t -85.44 9.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.03 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -37.94 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.97 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.3 mmt180 -130.95 -176.45 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.2 OUTLIER -95.31 162.56 24.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -26.37 11.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.35 -22.74 57.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.68 -33.9 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 45' ' ' SER . 82.1 m -55.41 -27.25 46.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 11.9 tt0 -78.29 -49.39 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.84 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -57.88 8.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 26.9 t80 -54.41 -50.38 67.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.1 mtp -45.51 -44.02 12.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.11 -48.02 75.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -121.82 77.5 39.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -51.63 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 179.22 94.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.74 -64.25 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.59 134.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.36 -123.44 0.73 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.3 p -148.98 145.67 27.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 169.66 2.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 67.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -162.77 97.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.581 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.73 142.91 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.22 155.04 30.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.46 167.87 28.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.2 97.29 0.33 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.45 24.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.8 m -115.57 -59.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 p -143.66 169.21 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.89 105.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.47 109.28 19.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.32 115.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.1 160.35 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.5 106.7 17.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.79 -83.93 0.21 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.7 144.09 46.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.33 130.37 42.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -102.13 167.87 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -89.46 168.7 11.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.065 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 3.8 p30 -114.77 168.08 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 2.7 tt0 -41.7 -58.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 27.2 mttt -42.94 -50.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.52 -52.82 49.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.3 mm? -53.18 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.6 pt20 -43.23 -37.39 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.6 mtmm -69.65 -42.95 73.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 16' ' ' LEU . 35.8 tp -64.27 -50.06 69.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ALA . 13.1 m-70 -66.66 -56.42 10.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.0 t -44.0 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.0 -54.41 6.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.537 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 4.3 t80 -51.76 -30.55 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.66 -56.17 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -51.99 62.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.3 mt -78.39 151.29 77.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.54 33.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.537 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.72 -0.91 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -99.93 17.58 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 1.5 mttm -93.7 162.88 26.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.48 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 47.0 t80 -52.0 -40.82 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.58 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.2 m95 -63.46 -48.87 75.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.18 -32.51 55.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 59.3 mt-10 -73.63 -63.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.41 -23.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.86 -24.0 58.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.2 -55.44 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.72 -32.15 59.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.1 t -86.8 9.23 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.15 -42.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.0 m -38.71 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -131.68 -176.46 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -94.99 163.67 21.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -30.83 6.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -70.41 -23.11 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -85.56 -34.43 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.485 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.3 m -54.06 -29.67 45.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 108.337 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.58 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -76.03 -50.45 14.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -48.87 78.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -58.23 8.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -54.88 -51.03 67.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.7 mtp -43.65 -45.47 6.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.69 -47.26 76.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -122.55 77.27 46.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -52.97 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.69 -60.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.44 67.44 0.22 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 173.47 8.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -131.88 -159.48 9.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 m -130.24 -58.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.14 134.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.87 146.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.81 87.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.578 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.22 147.58 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 t -130.53 154.4 47.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -140.6 -65.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.95 156.76 49.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 77.17 3.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.79 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.31 164.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -80.86 104.01 11.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.49 -58.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.025 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -121.71 91.5 3.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.54 -135.77 12.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.549 1.155 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m 61.47 87.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -137.37 93.79 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.3 87.03 1.96 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -63.93 160.9 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 0.745 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.12 60.62 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -159.79 165.79 31.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.493 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 14.6 m0 -89.1 160.21 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.005 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 15' ' ' GLU . 53.0 p30 -111.17 155.83 22.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -42.64 -27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' ASN . 10.2 mttt -62.49 -47.27 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.0 mm-40 -75.17 -55.91 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.1 mm? -39.84 -67.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 22.3 pt20 -45.94 -41.37 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 9.0 mtmm -64.9 -50.1 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.5 tp -57.03 -55.36 35.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -61.35 -57.84 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.62 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 53.7 t -44.56 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.95 -55.74 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 3.7 t80 -50.26 -31.35 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -84.5 -55.99 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -54.32 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 12.1 mt -79.85 147.05 65.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.532 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -75.02 153.19 41.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -12.77 30.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 13.5 p80 -76.85 -12.12 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.558 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -67.77 158.99 81.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.58 49.73 4.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 40.7 t80 -53.04 -47.82 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.578 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 25.5 m95 -59.49 -46.85 87.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 107.992 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.19 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' OE2' ' CD ' ' A' ' 30' ' ' LYS . 38.4 mt-10 -71.91 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.36 -23.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.68 -24.2 58.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -56.22 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.85 -28.79 60.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.668 ' O ' ' N ' ' A' ' 43' ' ' SER . 83.8 t -89.38 8.99 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.2 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.668 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.15 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.027 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.0 mmt180 -132.88 -176.16 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.7 OUTLIER -95.35 163.88 20.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.03 -28.31 9.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.66 -23.13 60.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.03 -36.3 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.445 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 69.6 m -53.05 -26.68 16.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.295 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.578 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -78.77 -56.33 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -55.04 13.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -52.19 -67.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -38.94 -58.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.4 mmm -53.03 -42.79 66.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.85 -46.58 81.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -125.24 76.67 68.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -57.99 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.92 156.97 44.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.74 137.59 13.97 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 -63.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.794 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -112.15 76.66 0.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.75 145.93 27.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.97 115.43 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.25 142.85 50.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -146.94 162.29 39.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.583 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.2 t 60.95 82.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.9 m -150.11 -61.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.76 147.96 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.3 159.46 18.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 160.68 40.01 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.4 t -109.09 100.76 9.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 t -150.12 139.31 21.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.089 . . . . 0.0 111.014 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m 46.84 79.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -135.11 167.06 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.46 99.86 0.97 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.14 149.82 27.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -154.66 129.99 9.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.74 -144.84 6.93 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 56.54 -172.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 12.03 25.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -107.01 171.67 7.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 26.8 m0 -94.12 -177.51 4.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.442 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 46.4 p30 -124.65 153.93 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -37.56 -47.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.6 -51.13 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE2' ' ND2' ' A' ' 12' ' ' ASN . 9.8 mt-10 -63.95 -59.9 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -41.74 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -44.95 -37.78 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 4.6 mtmm -67.59 -39.53 84.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' LEU . 32.5 tp -70.23 -53.37 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -61.32 -52.15 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.7 t -46.31 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 37' ' ' VAL . . . -47.63 -51.69 20.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.61 -31.0 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.52 -55.18 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -53.38 51.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 5.9 mt -79.51 145.26 63.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.79 41.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.97 -1.02 57.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -89.96 -4.16 57.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 12.8 mttm -76.09 161.61 74.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -72.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.85 49.49 4.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 46.4 t80 -51.7 -42.6 62.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.7 m95 -62.2 -54.57 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -49.87 -32.17 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 60.1 mt-10 -73.83 -64.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.418 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 2.6 m -53.71 -24.75 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.74 -23.02 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.36 -55.96 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.39 -27.04 58.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.0 t -91.61 9.36 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -21.93 -42.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 11.2 t -38.71 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.3 mmt180 -131.38 -175.77 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.81 162.41 23.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.447 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -24.35 12.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -76.35 -21.6 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -86.75 -36.05 18.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 85.9 m -53.11 -29.5 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -76.67 -47.67 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -66.79 -48.47 68.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -59.24 -65.64 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.459 ' CB ' ' O ' ' A' ' 49' ' ' CYS . 32.0 t80 -45.23 -53.65 8.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.5 mmm -41.63 -42.45 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.59 -47.34 86.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -124.25 76.36 60.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.69 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -86.22 91.48 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.22 -120.85 1.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.088 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -144.65 111.58 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.88 -176.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 t -179.15 124.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -93.44 121.99 35.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.97 99.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.403 ' C ' ' CG2' ' A' ' 66' ' ' VAL . 23.4 m170 -86.35 -61.93 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' CG2' ' C ' ' A' ' 65' ' ' HIS . 2.8 m 40.19 55.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 m -70.14 -66.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.57 140.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.65 95.34 0.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -57.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.59 145.96 2.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.08 -58.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 110.976 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.09 82.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 53.54 81.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.97 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.94 161.85 8.9 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -74.97 162.24 28.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.76 156.39 42.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.61 -97.98 0.29 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.9 149.99 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' CE ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -105.08 132.81 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 4.6 pt-20 -39.19 158.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.517 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 -86.28 173.35 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -119.3 159.44 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -47.96 77.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.517 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -77.73 -54.7 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -40.71 -66.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 21.3 pt20 -45.82 -41.01 10.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -66.09 -51.65 56.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 26.7 tp -55.34 -56.47 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 24' ' ' ALA . 14.3 m-70 -59.28 -59.34 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.8 t -43.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.84 -56.39 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 6.3 t80 -49.2 -32.8 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -83.25 -56.07 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.81 -54.49 33.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD2' ' OE1' ' A' ' 36' ' ' GLU . 12.2 mt -81.2 144.1 53.63 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' HB2' ' ND1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -74.99 155.93 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.79 -12.76 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.404 ' ND1' ' HB2' ' A' ' 27' ' ' PRO . 12.0 p-80 -75.04 -8.91 57.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -72.09 160.5 82.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -74.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.22 50.83 4.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 45.2 t80 -52.13 -45.17 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.575 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -61.88 -47.93 82.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -55.02 -35.22 64.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' OE1' ' CD2' ' A' ' 26' ' ' LEU . 35.3 mt-10 -72.03 -63.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.2 m -53.04 -23.75 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.58 -25.51 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -58.53 -56.3 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.93 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' ' N ' ' A' ' 43' ' ' SER . 72.4 t -85.91 9.03 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.666 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.27 -28.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.973 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -133.25 -176.44 4.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.5 OUTLIER -94.63 163.79 21.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -27.56 9.84 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.755 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.42 -22.89 60.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 42.0 mt-10 -85.95 -35.25 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.449 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.4 m -54.35 -27.57 36.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 108.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 18.2 tt0 -78.98 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -44.89 -43.0 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.04 -62.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 17.1 t80 -48.43 -50.11 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 73.4 mtp -46.32 -48.31 18.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.8 -48.53 76.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -123.61 76.74 55.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -104.34 162.96 12.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.9 91.49 1.0 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -110.66 161.08 16.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.57 117.72 2.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -109.49 79.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -160.06 132.46 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.76 144.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -82.4 -60.15 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.2 t 62.42 93.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -138.28 126.75 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.5 p -136.62 143.41 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.8 68.94 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.71 18.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.79 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.12 -83.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.967 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -53.75 51.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.2 p -98.88 151.36 20.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.86 149.41 35.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.5 89.41 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 65.96 84.31 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.06 118.94 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.16 -117.99 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.61 95.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 13.23 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -52.5 172.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.8 m0 -94.24 151.71 19.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 108.036 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 36.4 p30 -98.18 150.89 21.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -38.27 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 mtmt -61.21 -56.72 17.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.518 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.8 mm-40 -62.31 -45.08 94.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.14 -69.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.0 pt20 -47.08 -35.78 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 7.8 mtmm -66.67 -51.19 58.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 20.6 tp -58.98 -53.82 54.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -59.74 -54.81 41.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.579 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.3 t -47.2 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.57 -53.13 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t80 -51.62 -31.26 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -55.51 3.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -51.33 61.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 6.1 mt -82.31 147.08 55.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 151.41 39.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.85 -1.7 56.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -94.53 12.51 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -91.38 165.38 21.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.52 1.8 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.34 51.02 4.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 51.6 t80 -52.96 -36.59 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -67.97 -48.35 66.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.49 -34.97 62.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 67.6 mt-10 -71.3 -64.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 m -53.48 -23.96 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.53 -23.23 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -56.14 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.19 -23.83 57.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.663 ' O ' ' N ' ' A' ' 43' ' ' SER . 75.7 t -94.88 8.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.49 -42.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.57 -28.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.1 mmt180 -132.64 -176.29 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.3 OUTLIER -95.41 162.36 24.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -28.92 8.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -71.86 -22.63 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -86.6 -35.1 19.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 64.9 m -53.79 -27.19 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -78.4 -54.58 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.486 ' N ' HE21 ' A' ' 50' ' ' GLN . 2.7 mtp180 -55.86 -40.85 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CE ' ' HB2' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -63.01 -61.27 2.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -47.86 -46.05 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.1 mtt -53.18 -51.79 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.85 -47.96 81.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -120.75 78.31 30.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.97 -58.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.97 -109.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -124.91 -63.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.45 130.96 0.78 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.05 106.96 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -159.33 110.46 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -171.64 103.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.79 158.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.3 t 51.92 90.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -146.14 133.69 20.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.66 -52.66 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -165.54 97.1 0.14 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 78.83 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.1 p -170.04 -67.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 93.2 p -39.85 -55.32 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m 64.15 112.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -57.52 131.84 51.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.43 164.18 28.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -67.61 101.48 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.65 -73.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.12 89.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.84 87.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -119.17 75.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -164.33 170.41 16.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.6 m0 -90.39 167.97 12.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 157.06 18.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.0 -19.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -72.71 -41.78 64.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 3.2 mm-40 -74.15 -57.71 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.18 -65.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 19.7 pt20 -46.21 -39.77 10.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 7.5 mtmt -67.79 -50.98 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 49' ' ' CYS . 18.0 tp -55.48 -55.39 32.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -61.1 -56.74 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.3 t -45.89 -70.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.17 -54.53 6.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 13.4 t80 -50.67 -31.37 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.36 -55.76 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -55.18 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 10.0 mt -75.17 150.11 85.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.2 Cg_endo -75.02 146.52 32.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.6 -1.08 57.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -100.84 18.93 18.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -95.02 167.38 13.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -75.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.79 48.37 3.99 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 40.1 t80 -49.64 -44.6 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.58 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 23.7 m95 -60.03 -49.36 77.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -53.6 -35.94 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 51.2 mt-10 -70.3 -63.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -53.65 -24.42 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -75.08 -22.43 58.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.91 -55.88 25.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.95 -26.19 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.663 ' O ' ' N ' ' A' ' 43' ' ' SER . 92.9 t -93.03 8.95 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.9 -28.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 0.79 . . . . 0.0 110.019 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.7 mmt180 -131.8 -176.52 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -95.1 162.79 23.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.444 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -25.38 11.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.25 -21.65 58.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 53.0 mt-10 -86.31 -35.22 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 85.5 m -53.63 -29.58 38.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.58 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -76.08 -55.89 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -45.84 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -62.84 1.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.526 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 21.4 t80 -45.85 -48.97 15.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.6 mtt -50.46 -38.88 46.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.06 -46.95 39.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -124.5 76.1 62.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -56.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -171.73 94.24 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.53 -123.39 2.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 -64.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.92 -63.27 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.51 131.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -171.74 164.69 6.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.98 133.4 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -168.69 151.61 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.73 90.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.0 t -165.82 139.52 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.0 151.12 45.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.82 87.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.3 p -173.02 -58.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.958 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 m -113.01 167.62 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.65 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -69.9 -57.56 4.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.43 -152.31 0.82 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 6' ' ' SER . 2.3 p -93.27 -59.79 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 0.749 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' N ' ' OG ' ' A' ' 5' ' ' SER . 33.7 t -159.55 126.72 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.63 57.11 8.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.04 127.68 46.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 103.72 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -178.09 149.67 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -107.96 163.05 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' GLU . 20.6 p30 -97.05 152.53 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' ASN . 1.9 mp0 -37.05 -41.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 11.9 mttp -53.93 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 5.0 mm-40 -47.14 -36.05 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.97 -69.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.5 pt20 -44.04 -33.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 17' ' ' GLN . 7.8 mttp -66.64 -56.88 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 26.2 tp -54.09 -50.91 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -61.88 -58.59 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.552 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 50.3 t -46.14 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 37' ' ' VAL . . . -44.42 -54.47 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 34.2 t80 -52.15 -28.75 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -87.0 -55.88 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.0 m -55.31 -52.71 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 36' ' ' GLU . 4.3 mt -81.41 148.33 62.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.469 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.01 153.11 41.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.88 -1.08 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -101.47 18.05 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.426 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 1.9 mttm -91.48 167.34 15.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.426 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 -79.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.37 49.06 3.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 53.8 t80 -51.27 -39.8 57.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CH2' ' HA ' ' A' ' 50' ' ' GLN . 24.8 m95 -66.73 -46.21 76.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.45 -34.23 66.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 54.5 mt-10 -71.85 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.424 ' HA ' ' CB ' ' A' ' 22' ' ' ALA . 7.1 m -53.48 -23.26 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -75.13 -22.85 57.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.95 -56.4 19.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.57 58.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.7 t -95.29 8.68 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.16 -42.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.656 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.16 -28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.9 mmt180 -132.1 -176.16 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.409 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -95.46 162.91 22.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.456 ' HB3' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.97 -27.71 9.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -72.47 -23.39 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -85.68 -34.08 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 61.3 m -54.73 -27.91 44.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CH2' ' A' ' 34' ' ' TRP . 46.2 tt0 -77.17 -51.39 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -44.38 83.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -61.31 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 19.0 t80 -53.95 -46.65 71.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.9 mtp -47.33 -44.81 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.25 -49.04 59.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -122.41 77.19 44.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 166.72 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.61 104.14 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 tttm 76.97 -67.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 41.33 69.87 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.48 164.82 38.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 65.22 79.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.73 79.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -134.74 157.37 46.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 p -120.73 129.08 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 t -175.95 137.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 m -176.03 100.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.05 94.77 0.1 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t 70.06 -68.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.1 t -137.56 143.01 41.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.419 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 22.2 m0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 56.0 p30 -123.3 157.09 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -38.52 -53.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -44.44 -46.23 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 9.7 mt-10 -71.29 -57.02 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -46.4 -66.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 pt20 -43.83 -40.19 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.5 mtmm -67.84 -39.83 83.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.536 ' HA ' HG21 ' A' ' 41' ' ' VAL . 52.0 tp -67.06 -51.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.7 m-70 -65.49 -54.61 25.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.5 t -44.08 -70.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -48.32 -52.72 20.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 13.3 t80 -50.66 -30.18 12.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -88.51 -54.84 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -52.37 -53.09 49.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.027 HD22 ' OE1' ' A' ' 36' ' ' GLU . 8.2 mt -82.39 147.41 56.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.229 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.09 153.09 41.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.77 -5.0 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 11.0 p80 -84.56 -10.17 57.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -69.25 161.75 70.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.424 1.749 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.05 51.24 4.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.729 ' O ' HG13 ' A' ' 37' ' ' VAL . 48.6 t80 -53.54 -41.05 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.3 m95 -64.23 -50.28 68.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.29 -33.87 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.027 ' OE1' HD22 ' A' ' 26' ' ' LEU . 34.6 mt-10 -73.31 -64.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.0 -24.23 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.04 -25.18 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.37 -56.08 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.0 -29.45 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 84.1 t -88.38 9.13 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.24 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 4.9 p -38.76 -29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.4 mmt180 -132.91 -176.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.5 163.58 22.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -27.57 9.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.64 -22.99 58.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.14 -32.28 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.418 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 85.2 m -57.41 -27.65 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 1.8 tt0 -78.17 -52.52 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -38.36 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 20.2 m0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 44.8 p-10 -115.28 155.03 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -38.15 -50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.8 mmtt -47.86 -50.01 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.478 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.7 mt-10 -64.65 -53.65 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.9 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 6.1 pt20 -42.73 -37.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.61 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.2 mtmt -67.12 -44.66 79.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HA ' HG21 ' A' ' 41' ' ' VAL . 39.7 tp -64.33 -53.78 43.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -61.12 -54.6 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 40.5 t -45.32 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.261 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.54 -53.24 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 15.2 t80 -50.39 -30.67 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.5 -55.17 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.06 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' ' 36' ' ' GLU . 4.6 mt -77.67 150.46 79.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -74.99 150.22 37.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.62 -1.21 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -98.53 16.1 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -91.86 165.76 19.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.23 47.43 3.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.665 ' O ' HG13 ' A' ' 37' ' ' VAL . 47.3 t80 -50.31 -39.81 46.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -65.24 -49.2 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.67 -35.4 61.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.72 ' HB3' HD13 ' A' ' 26' ' ' LEU . 61.2 mt-10 -70.49 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.2 m -52.98 -25.3 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.542 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.63 -25.1 60.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.04 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.4 -32.22 60.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.8 t -85.72 9.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.43 -41.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 12.8 p -38.57 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.48 -176.46 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 162.81 24.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.542 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -26.47 10.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.83 -22.52 56.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -86.96 -31.67 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HB3' HD13 ' A' ' 19' ' ' LEU . 83.9 m -57.74 -27.47 63.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 17.0 tt0 -77.2 -47.23 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -52.98 62.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.426 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 22.5 m0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.1 p30 -117.67 155.46 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 2.5 tt0 -38.1 -51.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.78 -49.34 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 13.5 mt-10 -65.28 -54.21 32.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.89 -68.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.6 pt20 -44.17 -38.47 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.1 mttm -67.06 -40.61 87.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.577 ' HA ' HG21 ' A' ' 41' ' ' VAL . 36.4 tp -68.34 -53.3 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -62.05 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.62 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 46.0 t -47.67 -70.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.66 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.12 -51.33 18.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 14.3 t80 -51.88 -34.04 39.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.03 -55.64 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -56.88 11.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.959 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.4 mt -76.18 146.71 78.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.28 40.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.66 -5.41 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -86.21 -3.59 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.559 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 5.1 mttm -76.13 160.92 77.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.94 49.46 4.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.708 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.5 t80 -52.48 -41.39 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.583 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.76 -50.62 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -52.74 -33.91 50.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.959 ' OE1' HD22 ' A' ' 26' ' ' LEU . 49.0 mt-10 -72.8 -64.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.8 m -53.01 -24.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.99 -25.08 59.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.16 -56.09 26.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.08 -30.91 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.675 ' O ' ' N ' ' A' ' 43' ' ' SER . 85.4 t -87.02 9.0 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.29 -42.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.675 ' N ' ' O ' ' A' ' 41' ' ' VAL . 29.6 t -38.92 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.73 -176.47 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.06 163.17 22.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -28.76 8.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.53 -20.55 60.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.11 -31.78 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB3' HD13 ' A' ' 19' ' ' LEU . 84.2 m -58.04 -26.33 62.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.339 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -79.18 -43.72 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -64.8 -55.04 22.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.462 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 23.9 m0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 40.5 p-10 -115.53 156.1 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -37.68 -54.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 1.4 mtmt -46.17 -49.91 16.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 34.9 mt-10 -66.09 -43.5 87.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -60.98 -67.71 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 10.8 pt20 -40.79 -38.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 10.1 mttm -67.32 -47.93 69.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' HA ' HG21 ' A' ' 41' ' ' VAL . 20.6 tp -59.93 -54.81 41.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.81 -55.13 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.1 t -46.21 -70.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -46.23 -52.97 11.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 15.1 t80 -51.35 -30.99 20.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.83 -55.49 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -52.04 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.95 HD22 ' OE1' ' A' ' 36' ' ' GLU . 5.7 mt -81.17 147.01 59.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 152.31 40.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -0.64 57.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -90.48 -12.57 36.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -65.99 162.39 46.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -75.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.95 51.33 4.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.705 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.5 t80 -53.35 -40.33 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.576 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -64.66 -48.63 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.31 -34.85 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.95 ' OE1' HD22 ' A' ' 26' ' ' LEU . 50.8 mt-10 -71.97 -63.9 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.03 -24.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.01 -24.9 59.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.64 -56.28 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.97 -29.9 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.5 t -88.1 9.09 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.11 -42.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -38.73 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.0 mmt180 -132.58 -176.54 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.55 163.81 21.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.04 -28.01 9.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.08 -23.86 59.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.06 -33.28 22.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 82.6 m -55.54 -29.27 58.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 33.9 tt0 -75.52 -49.74 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -45.39 91.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 32.4 m0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 47.5 p-10 -127.74 157.32 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -38.31 -55.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -43.99 -46.22 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 10.7 mt-10 -70.53 -57.48 4.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -47.65 -69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 13.9 pt20 -38.75 -41.41 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.579 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.7 mtmt -66.07 -49.68 66.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 59.2 tp -56.44 -55.92 27.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.7 m-70 -61.39 -57.3 12.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 36.5 t -42.41 -70.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -49.9 -54.82 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.475 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 35.7 t80 -47.29 -30.25 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -87.57 -55.13 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -56.26 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.5 mt -75.37 144.04 77.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.29 40.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.75 -1.12 57.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -92.79 10.24 31.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.58 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -90.45 164.02 28.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -76.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.39 50.79 4.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.717 ' O ' HG13 ' A' ' 37' ' ' VAL . 52.9 t80 -52.49 -37.23 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.4 m95 -67.18 -51.76 49.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -51.27 -32.96 26.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.685 ' HB3' HD13 ' A' ' 26' ' ' LEU . 63.2 mt-10 -72.76 -64.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.22 -23.93 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.62 -25.11 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.2 -55.81 30.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.54 -32.1 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.5 t -85.54 9.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.14 -42.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.18 -28.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -132.39 -176.22 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.4 163.21 22.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.0 -28.01 9.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -85.45 -36.01 20.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.6 m -53.25 -28.03 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 2.6 tt0 -77.7 -48.93 15.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -54.0 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.5 m0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.486 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.6 p-10 -119.06 157.43 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -38.97 -52.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -47.31 -46.28 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.4 mt-10 -69.78 -53.2 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -49.29 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.2 pt20 -41.72 -40.96 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.581 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.1 mtmm -63.67 -45.31 90.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' A' ' 41' ' ' VAL . 20.7 tp -63.25 -55.62 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ALA . 17.1 m-70 -59.48 -58.35 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.3 t -43.41 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.74 -54.47 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.86 -32.45 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.0 -56.1 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -52.87 -56.37 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.98 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.6 mt -76.7 148.14 79.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.03 153.12 41.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.91 -10.96 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 13.9 p80 -79.58 -13.78 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.615 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -65.6 157.6 78.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -68.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.69 3.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' O ' HG13 ' A' ' 37' ' ' VAL . 42.6 t80 -54.38 -46.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -59.97 -46.86 88.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -56.18 -34.82 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.98 ' OE1' HD22 ' A' ' 26' ' ' LEU . 48.7 mt-10 -72.0 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.44 -24.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.8 -23.77 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.41 -55.65 30.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.49 -31.51 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.0 t -87.23 9.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -38.5 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -132.13 -176.42 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.3 163.7 21.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.492 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 -27.76 9.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.9 -22.59 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.06 -33.28 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.444 ' HB3' HD13 ' A' ' 19' ' ' LEU . 86.3 m -56.18 -26.69 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 32.9 tt0 -80.18 -52.44 7.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -56.83 -39.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.485 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 35.1 m0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.444 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 51.0 p-10 -121.15 159.74 25.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.35 -52.54 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -46.87 -47.35 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.1 mt-10 -70.06 -54.35 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -48.5 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -39.17 -40.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 41' ' ' VAL . 10.4 mtmm -66.81 -49.57 65.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.549 ' HA ' HG21 ' A' ' 41' ' ' VAL . 38.3 tp -57.43 -53.68 55.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.6 m-70 -63.24 -58.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.1 t -41.97 -70.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.668 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.9 -55.56 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 11.2 t80 -50.43 -31.21 14.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.84 -56.11 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -54.12 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.057 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.975 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.5 mt -79.39 141.96 57.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.44 43.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.99 -3.78 53.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 8.58 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.566 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -89.34 167.28 18.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -83.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.86 53.02 3.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.657 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.1 t80 -51.65 -39.62 58.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.6 m95 -65.93 -47.92 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.59 -34.13 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.975 ' OE1' HD22 ' A' ' 26' ' ' LEU . 54.8 mt-10 -71.64 -63.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.668 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 3.2 m -53.21 -24.28 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.33 -24.52 59.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.84 -56.15 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.17 -31.16 60.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.4 t -87.12 9.17 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.4 t -38.69 -28.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.5 mmt180 -132.54 -176.44 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.54 164.01 21.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -29.39 8.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.49 -25.1 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.45 -37.36 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 68.1 m -51.07 -29.7 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 45.3 tt0 -75.74 -57.85 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -50.13 59.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.513 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 37.8 m0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.465 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 17.4 p30 -117.57 162.17 18.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -44.81 -49.78 10.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -48.39 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.2 mt-10 -67.53 -50.42 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -53.07 -69.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.0 pt20 -40.11 -38.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.7 mtmm -67.24 -48.41 67.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HA ' HG21 ' A' ' 41' ' ' VAL . 37.3 tp -59.73 -54.33 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ALA . 16.0 m-70 -61.16 -57.28 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.65 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.4 t -42.65 -70.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.285 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.567 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -48.43 -54.15 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 14.5 t80 -49.62 -31.04 9.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -86.77 -55.38 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -53.18 -54.11 40.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 36' ' ' GLU . 5.7 mt -78.5 146.27 69.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 152.72 40.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.58 -1.15 57.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -87.36 -17.09 33.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.599 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 9.3 mttt -63.15 160.28 41.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -71.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.03 50.19 4.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.706 ' O ' HG13 ' A' ' 37' ' ' VAL . 48.1 t80 -53.12 -39.35 63.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.793 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -65.39 -49.99 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.46 -32.44 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.748 ' HB3' HD13 ' A' ' 26' ' ' LEU . 54.2 mt-10 -73.8 -63.78 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.21 -24.02 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.32 -24.63 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.45 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.79 -30.64 61.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.0 t -87.84 9.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.01 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.72 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.011 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.7 mmt180 -132.24 -176.35 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.75 163.98 20.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.02 -29.96 7.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.0 -25.15 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -83.31 -35.77 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.467 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.6 m -52.49 -30.54 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -75.03 -53.72 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -46.07 76.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -114.31 149.24 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.23 -29.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -62.18 -46.27 89.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.1 mm-40 -72.83 -55.28 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -40.5 -68.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 11.9 pt20 -45.36 -40.54 8.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.4 mtmm -66.16 -37.47 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 49' ' ' CYS . 48.2 tp -70.61 -53.45 15.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -63.26 -53.68 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.9 t -45.84 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.74 -52.29 19.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t80 -50.9 -30.47 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.56 -54.93 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -53.52 -51.66 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.994 HD22 ' OE1' ' A' ' 36' ' ' GLU . 8.3 mt -81.57 147.29 59.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.99 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.72 -6.83 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -84.8 -9.93 57.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.613 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -68.78 162.03 66.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -75.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.37 51.9 4.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.592 ' O ' HG13 ' A' ' 37' ' ' VAL . 45.3 t80 -52.38 -45.62 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.769 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.7 m95 -60.97 -46.77 89.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.52 -35.57 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.994 ' OE1' HD22 ' A' ' 26' ' ' LEU . 28.4 mt-10 -71.3 -63.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.633 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.6 -24.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.24 -22.29 57.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -55.49 28.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.64 -24.78 56.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.677 HG22 ' HB3' ' A' ' 18' ' ' LYS . 83.2 t -94.36 8.87 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.36 -42.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -38.88 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.5 mmt180 -132.21 -176.29 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.72 162.67 24.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.057 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -27.98 9.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.1 -23.19 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -32.92 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.6 m -57.12 -27.02 61.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -78.95 -53.85 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -56.2 -35.06 66.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 14.4 m0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.502 ' O ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -133.15 -170.96 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -50.35 73.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 8.0 mptt -46.78 -46.01 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 44' ' ' ARG . 7.6 mt-10 -77.43 -63.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 12' ' ' ASN . 1.9 mm? -39.79 -66.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 13.0 pt20 -40.37 -46.46 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.58 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.9 mtmm -62.21 -46.33 89.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' HA ' HG21 ' A' ' 41' ' ' VAL . 56.0 tp -60.31 -58.66 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.2 m-70 -57.99 -59.58 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.0 t -42.87 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 108.276 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.557 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.6 -56.36 5.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -48.94 -31.12 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.47 -55.93 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -53.83 -54.74 34.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.002 HD22 ' OE1' ' A' ' 36' ' ' GLU . 9.5 mt -78.0 142.35 64.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.51 42.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.86 -7.48 46.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.14 -6.91 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -76.26 161.9 73.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.07 53.05 3.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.71 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.0 t80 -55.25 -38.96 69.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.583 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -66.0 -49.19 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 108.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.71 -34.73 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.002 ' OE1' HD22 ' A' ' 26' ' ' LEU . 28.5 mt-10 -71.03 -63.99 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.46 -24.93 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.48 -23.75 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.21 -55.23 36.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -76.11 -31.34 58.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 43' ' ' SER . 92.9 t -87.11 9.05 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.37 -41.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.128 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 15.2 p -38.77 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 0.72 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -131.94 -176.28 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.03 162.35 25.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -26.77 10.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -74.73 -22.88 58.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.49 -32.32 20.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 69.1 m -57.17 -27.42 61.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 49.8 tt0 -78.32 -48.97 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -52.66 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 16.6 m0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' GLU . 17.1 p30 -96.54 151.49 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.26 -25.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.44 -43.31 90.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -74.31 -56.34 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.1 mm? -39.82 -66.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 8.0 pt20 -47.51 -40.59 19.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.729 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.9 mtmm -65.22 -48.56 72.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' A' ' 49' ' ' CYS . 24.9 tp -59.07 -55.35 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -60.82 -54.33 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.6 t -47.32 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.79 -52.28 11.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 8.1 t80 -52.11 -31.99 33.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.6 -55.49 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -52.62 58.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 36' ' ' GLU . 9.2 mt -79.41 148.06 69.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.39 35.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.7 -2.64 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.37 -0.01 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -78.88 166.15 44.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -79.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.51 53.56 3.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.688 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.0 t80 -53.28 -41.46 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.88 -48.34 77.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.68 -33.9 61.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 26' ' ' LEU . 19.8 mt-10 -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.57 -24.01 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.93 -22.48 58.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -55.78 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.59 -24.4 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' ' 18' ' ' LYS . 77.8 t -94.68 8.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.5 -41.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -39.36 -28.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.986 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -132.48 -176.29 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.39 162.28 25.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -28.25 9.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.63 -21.56 61.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -87.6 -33.81 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 61.7 m -55.43 -27.87 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 21.0 tt0 -77.79 -55.38 5.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.1 64.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 17.8 m0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' GLU . 15.2 p30 -105.43 153.25 21.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.41 -25.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -63.6 -44.9 92.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -75.28 -56.68 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 11' ' ' TRP . 4.0 mm? -40.15 -67.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 5.6 pt20 -45.51 -40.85 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.591 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.0 mtmm -66.45 -44.9 81.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 23.7 tp -61.74 -54.32 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -62.84 -50.22 71.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.0 t -51.9 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -46.4 -48.68 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 10.5 t80 -53.61 -41.13 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -56.26 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -54.06 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.777 HD13 ' HB3' ' A' ' 36' ' ' GLU . 11.1 mt -76.72 150.18 81.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.05 144.67 30.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.88 -6.99 47.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -90.53 12.71 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' CD ' ' HG2' ' A' ' 27' ' ' PRO . 7.1 mtpp -95.87 162.01 25.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -73.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.93 53.99 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.607 ' O ' HG13 ' A' ' 37' ' ' VAL . 44.8 t80 -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.5 m95 -58.82 -47.48 84.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.3 -35.29 64.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.777 ' HB3' HD13 ' A' ' 26' ' ' LEU . 8.6 mt-10 -72.04 -62.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.724 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.7 m -53.68 -24.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . . . -75.7 -24.6 56.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' SER . 78.9 t -94.01 8.87 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.41 -41.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.22 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mmt180 -133.27 -176.32 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.9 163.2 22.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.546 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.98 -28.37 9.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.75 -22.37 60.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.07 -33.58 19.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.1 m -56.0 -26.83 50.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.0 tt0 -79.46 -54.47 5.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -54.47 -34.33 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.467 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 30.6 m0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 41.0 p-10 -117.12 163.68 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.76 -50.87 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.51 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.489 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 30.6 mt-10 -67.18 -49.34 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 12' ' ' ASN . 3.8 mm? -53.44 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.9 pt20 -39.45 -40.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.732 ' HB3' HG22 ' A' ' 41' ' ' VAL . 16.2 mtmt -63.64 -54.77 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.508 ' HA ' HG21 ' A' ' 41' ' ' VAL . 26.2 tp -55.47 -56.29 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' CYS . 16.3 m-70 -57.9 -59.84 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.634 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 48.5 t -41.28 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.06 -64.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 33' ' ' PHE . 6.8 t80 -41.47 -30.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 21' ' ' CYS . . . -83.56 -56.22 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.2 t -55.25 -54.8 38.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.771 HD22 ' OE1' ' A' ' 36' ' ' GLU . 7.7 mt -79.39 140.6 56.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 157.67 42.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -93.59 -1.66 55.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -84.69 -6.61 59.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -76.76 162.53 70.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.11 50.04 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.721 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.3 t80 -53.56 -36.61 62.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.6 m95 -68.82 -52.58 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -50.89 -33.41 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.771 ' OE1' HD22 ' A' ' 26' ' ' LEU . 96.3 mt-10 -71.32 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.28 -25.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.83 -24.17 59.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.3 -55.55 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.45 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG22 ' HB3' ' A' ' 18' ' ' LYS . 84.6 t -85.44 9.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.03 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -37.94 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.97 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.3 mmt180 -130.95 -176.45 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.31 162.56 24.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.504 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -26.37 11.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.35 -22.74 57.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.68 -33.9 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HB3' HD13 ' A' ' 19' ' ' LEU . 82.1 m -55.41 -27.25 46.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 11.9 tt0 -78.29 -49.39 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.84 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.407 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 16.1 m0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 3.8 p30 -114.77 168.08 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 2.7 tt0 -41.7 -58.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 27.2 mttt -42.94 -50.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 11' ' ' TRP . 35.6 mt-10 -65.52 -52.82 49.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.3 mm? -53.18 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.6 pt20 -43.23 -37.39 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.6 mtmm -69.65 -42.95 73.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.53 ' HA ' HG21 ' A' ' 41' ' ' VAL . 35.8 tp -64.27 -50.06 69.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ALA . 13.1 m-70 -66.66 -56.42 10.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.0 t -44.0 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.0 -54.41 6.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.536 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 4.3 t80 -51.76 -30.55 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.66 -56.17 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -51.99 62.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.3 mt -78.39 151.29 77.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.54 33.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.536 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.72 -0.91 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -99.93 17.58 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 1.5 mttm -93.7 162.88 26.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.48 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 37' ' ' VAL . 47.0 t80 -52.0 -40.82 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.582 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.2 m95 -63.46 -48.87 75.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.18 -32.51 55.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.707 ' HB3' HD13 ' A' ' 26' ' ' LEU . 59.3 mt-10 -73.63 -63.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.41 -23.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.86 -24.0 58.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.2 -55.44 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.72 -32.15 59.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.1 t -86.8 9.23 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.15 -42.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.0 m -38.71 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -131.68 -176.46 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.99 163.67 21.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.494 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -30.83 6.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -70.41 -23.11 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -85.56 -34.43 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.487 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.3 m -54.06 -29.67 45.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 108.337 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -76.03 -50.45 14.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -48.87 78.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.493 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 14.6 m0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 15' ' ' GLU . 53.0 p30 -111.17 155.83 22.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -42.64 -27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' ASN . 10.2 mttt -62.49 -47.27 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.0 mm-40 -75.17 -55.91 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 11' ' ' TRP . 4.1 mm? -39.84 -67.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 22.3 pt20 -45.94 -41.37 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.707 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.0 mtmm -64.9 -50.1 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 49' ' ' CYS . 34.5 tp -57.03 -55.36 35.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -61.35 -57.84 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.62 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 53.7 t -44.56 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -43.95 -55.74 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 3.7 t80 -50.26 -31.35 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -84.5 -55.99 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -54.32 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.006 HD22 ' OE1' ' A' ' 36' ' ' GLU . 12.1 mt -79.85 147.05 65.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -75.02 153.19 41.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -12.77 30.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 13.5 p80 -76.85 -12.12 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.558 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -67.77 158.99 81.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.58 49.73 4.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.611 ' O ' HG13 ' A' ' 37' ' ' VAL . 40.7 t80 -53.04 -47.82 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.568 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.5 m95 -59.49 -46.85 87.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 107.992 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.19 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.006 ' OE1' HD22 ' A' ' 26' ' ' LEU . 38.4 mt-10 -71.91 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.628 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.36 -23.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.68 -24.2 58.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -56.22 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.85 -28.79 60.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 18' ' ' LYS . 83.8 t -89.38 8.99 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.2 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.668 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.15 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.027 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.0 mmt180 -132.88 -176.16 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.35 163.88 20.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.03 -28.31 9.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.66 -23.13 60.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.03 -36.3 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB3' HD13 ' A' ' 19' ' ' LEU . 69.6 m -53.05 -26.68 16.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.295 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.568 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -78.77 -56.33 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -55.04 13.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 26.8 m0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.442 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 46.4 p30 -124.65 153.93 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -37.56 -47.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.6 -51.13 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE2' ' ND2' ' A' ' 12' ' ' ASN . 9.8 mt-10 -63.95 -59.9 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -41.74 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -44.95 -37.78 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.6 mtmm -67.59 -39.53 84.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.636 ' HA ' HG21 ' A' ' 41' ' ' VAL . 32.5 tp -70.23 -53.37 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -61.32 -52.15 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.7 t -46.31 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.63 -51.69 20.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.61 -31.0 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.52 -55.18 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -53.38 51.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 36' ' ' GLU . 5.9 mt -79.51 145.26 63.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.79 41.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.97 -1.02 57.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -89.96 -4.16 57.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 12.8 mttm -76.09 161.61 74.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -72.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.85 49.49 4.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.705 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.4 t80 -51.7 -42.6 62.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.7 m95 -62.2 -54.57 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -49.87 -32.17 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.748 ' HB3' HD13 ' A' ' 26' ' ' LEU . 60.1 mt-10 -73.83 -64.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.6 m -53.71 -24.75 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.74 -23.02 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -61.36 -55.96 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.39 -27.04 58.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.0 t -91.61 9.36 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -21.93 -42.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 11.2 t -38.71 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.3 mmt180 -131.38 -175.77 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.81 162.41 23.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.511 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -24.35 12.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -76.35 -21.6 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -86.75 -36.05 18.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.9 m -53.11 -29.5 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -76.67 -47.67 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -66.79 -48.47 68.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -119.3 159.44 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -47.96 77.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -77.73 -54.7 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.415 HD11 ' HZ1' ' A' ' 52' ' ' LYS . 3.8 mm? -40.71 -66.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 21.3 pt20 -45.82 -41.01 10.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.647 ' HB3' HG22 ' A' ' 41' ' ' VAL . 23.9 mtmt -66.09 -51.65 56.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 49' ' ' CYS . 26.7 tp -55.34 -56.47 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 24' ' ' ALA . 14.3 m-70 -59.28 -59.34 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.8 t -43.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.594 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -44.84 -56.39 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -49.2 -32.8 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -83.25 -56.07 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.81 -54.49 33.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.012 HD22 ' OE1' ' A' ' 36' ' ' GLU . 12.2 mt -81.2 144.1 53.63 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HB2' ' ND1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -74.99 155.93 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.79 -12.76 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.406 ' ND1' ' HB2' ' A' ' 27' ' ' PRO . 12.0 p-80 -75.04 -8.91 57.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -72.09 160.5 82.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -74.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.22 50.83 4.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.634 ' O ' HG13 ' A' ' 37' ' ' VAL . 45.2 t80 -52.13 -45.17 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -61.88 -47.93 82.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -55.02 -35.22 64.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.012 ' OE1' HD22 ' A' ' 26' ' ' LEU . 35.3 mt-10 -72.03 -63.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.2 m -53.04 -23.75 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.58 -25.51 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -58.53 -56.3 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.93 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' ' N ' ' A' ' 43' ' ' SER . 72.4 t -85.91 9.03 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.666 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.27 -28.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.973 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -133.25 -176.44 4.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -94.63 163.79 21.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -27.56 9.84 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.755 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.42 -22.89 60.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 42.0 mt-10 -85.95 -35.25 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.4 m -54.35 -27.57 36.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 108.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 18.2 tt0 -78.98 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -44.89 -43.0 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.8 m0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 36.4 p30 -98.18 150.89 21.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -38.27 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 mtmt -61.21 -56.72 17.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.518 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.8 mm-40 -62.31 -45.08 94.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.14 -69.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.0 pt20 -47.08 -35.78 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.696 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.8 mtmm -66.67 -51.19 58.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 49' ' ' CYS . 20.6 tp -58.98 -53.82 54.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -59.74 -54.81 41.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.579 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.3 t -47.2 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.57 -53.13 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t80 -51.62 -31.26 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -55.51 3.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -51.33 61.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.1 mt -82.31 147.08 55.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 151.41 39.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.85 -1.7 56.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -94.53 12.51 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -91.38 165.38 21.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.52 1.8 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.34 51.02 4.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.701 ' O ' HG13 ' A' ' 37' ' ' VAL . 51.6 t80 -52.96 -36.59 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -67.97 -48.35 66.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.49 -34.97 62.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.695 ' HB3' HD13 ' A' ' 26' ' ' LEU . 67.6 mt-10 -71.3 -64.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.5 m -53.48 -23.96 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.53 -23.23 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -56.14 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.19 -23.83 57.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.696 HG22 ' HB3' ' A' ' 18' ' ' LYS . 75.7 t -94.88 8.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.49 -42.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.57 -28.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.1 mmt180 -132.64 -176.29 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.41 162.36 24.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -28.92 8.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -71.86 -22.63 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -86.6 -35.1 19.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.52 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.9 m -53.79 -27.19 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 1.3 tt0 -78.4 -54.58 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -55.86 -40.85 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CE ' ' HB2' ' A' ' 11' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.6 m0 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 157.06 18.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.0 -19.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -72.71 -41.78 64.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 3.2 mm-40 -74.15 -57.71 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.18 -65.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 19.7 pt20 -46.21 -39.77 10.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.683 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.5 mtmt -67.79 -50.98 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' A' ' 41' ' ' VAL . 18.0 tp -55.48 -55.39 32.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -61.1 -56.74 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.3 t -45.89 -70.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.17 -54.53 6.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.491 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 13.4 t80 -50.67 -31.37 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.36 -55.76 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -55.18 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.692 HD13 ' HB3' ' A' ' 36' ' ' GLU . 10.0 mt -75.17 150.11 85.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.2 Cg_endo -75.02 146.52 32.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.6 -1.08 57.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -100.84 18.93 18.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -95.02 167.38 13.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -75.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.79 48.37 3.99 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.587 ' O ' HG13 ' A' ' 37' ' ' VAL . 40.1 t80 -49.64 -44.6 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.576 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 23.7 m95 -60.03 -49.36 77.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -53.6 -35.94 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.692 ' HB3' HD13 ' A' ' 26' ' ' LEU . 51.2 mt-10 -70.3 -63.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.68 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.65 -24.42 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.08 -22.43 58.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -61.91 -55.88 25.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.95 -26.19 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 18' ' ' LYS . 92.9 t -93.03 8.95 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.9 -28.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 0.79 . . . . 0.0 110.019 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.7 mmt180 -131.8 -176.52 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -95.1 162.79 23.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -25.38 11.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.25 -21.65 58.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 53.0 mt-10 -86.31 -35.22 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 85.5 m -53.63 -29.58 38.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -76.08 -55.89 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -45.84 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.4 m0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' GLU . 20.6 p30 -97.05 152.53 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' ASN . 1.9 mp0 -37.05 -41.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 11.9 mttp -53.93 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 5.0 mm-40 -47.14 -36.05 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.8 mm? -61.97 -69.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.5 pt20 -44.04 -33.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.644 ' CB ' HG22 ' A' ' 41' ' ' VAL . 7.8 mttp -66.64 -56.88 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 49' ' ' CYS . 26.2 tp -54.09 -50.91 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -61.88 -58.59 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.552 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 50.3 t -46.14 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -44.42 -54.47 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 34.2 t80 -52.15 -28.75 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -87.0 -55.88 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.0 m -55.31 -52.71 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 36' ' ' GLU . 4.3 mt -81.41 148.33 62.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.469 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.01 153.11 41.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.88 -1.08 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -101.47 18.05 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 1.9 mttm -91.48 167.34 15.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.427 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 -79.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.37 49.06 3.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 53.8 t80 -51.27 -39.8 57.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 24.8 m95 -66.73 -46.21 76.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.45 -34.23 66.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.682 ' HB3' HD13 ' A' ' 26' ' ' LEU . 54.5 mt-10 -71.85 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.61 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 7.1 m -53.48 -23.26 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.13 -22.85 57.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.95 -56.4 19.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.57 58.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.7 t -95.29 8.68 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.16 -42.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.656 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.16 -28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.9 mmt180 -132.1 -176.16 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.46 162.91 22.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.97 -27.71 9.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -72.47 -23.39 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -85.68 -34.08 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.526 ' HB3' HD13 ' A' ' 19' ' ' LEU . 61.3 m -54.73 -27.91 44.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 46.2 tt0 -77.17 -51.39 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -44.38 83.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -76.85 163.87 26.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -177.31 169.94 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.81 159.59 8.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -139.16 115.53 10.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -136.52 123.49 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.9 60.75 0.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' GLU . 7.2 t0 -176.63 101.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 97.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ASP . 2.3 mt-10 -157.76 168.27 27.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.419 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 22.2 m0 -100.53 -179.27 4.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 107.962 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 56.0 p30 -123.3 157.09 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -38.52 -53.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -44.44 -46.23 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 9.7 mt-10 -71.29 -57.02 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -46.4 -66.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 pt20 -43.83 -40.19 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.5 mtmm -67.84 -39.83 83.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.536 ' HA ' HG21 ' A' ' 41' ' ' VAL . 52.0 tp -67.06 -51.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.7 m-70 -65.49 -54.61 25.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.5 t -44.08 -70.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -48.32 -52.72 20.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 13.3 t80 -50.66 -30.18 12.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -88.51 -54.84 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -52.37 -53.09 49.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.027 HD22 ' OE1' ' A' ' 36' ' ' GLU . 8.2 mt -82.39 147.41 56.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.229 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.09 153.09 41.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.77 -5.0 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 11.0 p80 -84.56 -10.17 57.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -69.25 161.75 70.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.424 1.749 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.05 51.24 4.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.729 ' O ' HG13 ' A' ' 37' ' ' VAL . 48.6 t80 -53.54 -41.05 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.3 m95 -64.23 -50.28 68.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.29 -33.87 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.027 ' OE1' HD22 ' A' ' 26' ' ' LEU . 34.6 mt-10 -73.31 -64.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.0 -24.23 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.04 -25.18 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.37 -56.08 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.0 -29.45 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 84.1 t -88.38 9.13 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.24 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 4.9 p -38.76 -29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.4 mmt180 -132.91 -176.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.5 163.58 22.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -27.57 9.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.64 -22.99 58.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.14 -32.28 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.418 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 85.2 m -57.41 -27.65 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 1.8 tt0 -78.17 -52.52 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -38.36 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -66.73 -60.3 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -51.1 -48.54 61.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.6 mtt -43.9 -39.34 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.68 -44.74 48.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -122.59 77.02 46.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.68 -45.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.21 -122.8 2.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.12 -156.98 23.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -153.8 126.38 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.018 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.85 145.07 38.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 126.71 17.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -101.85 -63.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.6 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.21 155.44 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 67' ' ' THR . 7.5 m 42.75 72.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -57.17 155.68 8.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.008 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.84 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.84 7.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.9 p -107.69 139.13 42.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 m -135.54 -57.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -171.32 113.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -47.71 -58.27 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.55 158.12 8.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.13 132.71 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 p -68.71 114.96 7.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.43 126.11 1.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.65 144.86 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -128.68 56.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -110.05 157.04 19.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 20.2 m0 -94.16 175.53 6.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 108.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 44.8 p-10 -115.28 155.03 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -38.15 -50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.8 mmtt -47.86 -50.01 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.7 mt-10 -64.65 -53.65 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.9 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 6.1 pt20 -42.73 -37.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.61 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.2 mtmt -67.12 -44.66 79.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HA ' HG21 ' A' ' 41' ' ' VAL . 39.7 tp -64.33 -53.78 43.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -61.12 -54.6 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 40.5 t -45.32 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.261 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.54 -53.24 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 15.2 t80 -50.39 -30.67 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.5 -55.17 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.06 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' ' 36' ' ' GLU . 4.6 mt -77.67 150.46 79.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -74.99 150.22 37.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.62 -1.21 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -98.53 16.1 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -91.86 165.76 19.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.23 47.43 3.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.665 ' O ' HG13 ' A' ' 37' ' ' VAL . 47.3 t80 -50.31 -39.81 46.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -65.24 -49.2 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.67 -35.4 61.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.72 ' HB3' HD13 ' A' ' 26' ' ' LEU . 61.2 mt-10 -70.49 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.2 m -52.98 -25.3 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.542 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.63 -25.1 60.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.04 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.4 -32.22 60.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.8 t -85.72 9.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.43 -41.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 12.8 p -38.57 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.48 -176.46 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 162.81 24.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.542 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -26.47 10.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.83 -22.52 56.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -86.96 -31.67 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HB3' HD13 ' A' ' 19' ' ' LEU . 83.9 m -57.74 -27.47 63.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 17.0 tt0 -77.2 -47.23 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -52.98 62.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -55.09 -66.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -41.52 -52.9 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.411 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 7.6 mmm -53.34 -40.59 64.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.31 -41.38 85.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -126.99 76.41 75.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -58.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -151.55 86.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.11 99.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.3 133.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.66 129.41 3.42 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -109.27 -58.22 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 66.57 135.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt 60.51 104.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.57 118.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.579 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t 58.05 101.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.15 121.48 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.79 84.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.11 79.37 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.24 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.12 168.29 19.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.26 165.87 26.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p 179.41 141.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -116.02 127.25 54.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.95 167.57 9.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.71 -57.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -124.37 163.36 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.82 -71.3 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -168.5 87.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -165.32 57.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -125.03 167.43 14.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.426 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 22.5 m0 -89.48 177.14 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.1 p30 -117.67 155.46 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 2.5 tt0 -38.1 -51.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.78 -49.34 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 13.5 mt-10 -65.28 -54.21 32.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.89 -68.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.6 pt20 -44.17 -38.47 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.1 mttm -67.06 -40.61 87.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.577 ' HA ' HG21 ' A' ' 41' ' ' VAL . 36.4 tp -68.34 -53.3 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -62.05 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.62 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 46.0 t -47.67 -70.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.66 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.12 -51.33 18.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 14.3 t80 -51.88 -34.04 39.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.03 -55.64 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -56.88 11.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.959 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.4 mt -76.18 146.71 78.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.28 40.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.66 -5.41 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -86.21 -3.59 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.559 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 5.1 mttm -76.13 160.92 77.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.94 49.46 4.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.708 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.5 t80 -52.48 -41.39 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.583 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.76 -50.62 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -52.74 -33.91 50.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.959 ' OE1' HD22 ' A' ' 26' ' ' LEU . 49.0 mt-10 -72.8 -64.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.8 m -53.01 -24.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.99 -25.08 59.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.16 -56.09 26.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.08 -30.91 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.675 ' O ' ' N ' ' A' ' 43' ' ' SER . 85.4 t -87.02 9.0 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.29 -42.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.675 ' N ' ' O ' ' A' ' 41' ' ' VAL . 29.6 t -38.92 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.73 -176.47 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.06 163.17 22.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -28.76 8.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.53 -20.55 60.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.11 -31.78 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB3' HD13 ' A' ' 19' ' ' LEU . 84.2 m -58.04 -26.33 62.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.339 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -79.18 -43.72 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -64.8 -55.04 22.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 -66.6 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -42.79 -57.42 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 17.6 mmm -49.21 -42.97 42.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.66 -42.46 95.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -126.61 76.17 74.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.26 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 45.63 86.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.341 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.78 -78.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.19 113.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.03 -154.89 26.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 m 61.54 144.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -164.13 140.71 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -177.17 169.55 2.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.64 134.03 35.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.622 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.29 148.96 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -138.63 153.29 48.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t 62.54 164.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.64 74.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -52.62 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t 66.32 153.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.1 m 64.29 124.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t 59.56 107.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t 60.7 167.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.44 -145.67 14.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -114.24 90.13 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t 50.41 97.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.44 -154.22 25.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.61 135.85 57.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 125.58 38.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -137.93 158.78 43.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 23.9 m0 -97.89 178.93 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 40.5 p-10 -115.53 156.1 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -37.68 -54.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 1.4 mtmt -46.17 -49.91 16.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 34.9 mt-10 -66.09 -43.5 87.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -60.98 -67.71 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 10.8 pt20 -40.79 -38.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 10.1 mttm -67.32 -47.93 69.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' HA ' HG21 ' A' ' 41' ' ' VAL . 20.6 tp -59.93 -54.81 41.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.81 -55.13 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.1 t -46.21 -70.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -46.23 -52.97 11.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 15.1 t80 -51.35 -30.99 20.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.83 -55.49 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -52.04 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.95 HD22 ' OE1' ' A' ' 36' ' ' GLU . 5.7 mt -81.17 147.01 59.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 152.31 40.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -0.64 57.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -90.48 -12.57 36.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -65.99 162.39 46.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -75.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.95 51.33 4.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.705 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.5 t80 -53.35 -40.33 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.576 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -64.66 -48.63 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.31 -34.85 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.95 ' OE1' HD22 ' A' ' 26' ' ' LEU . 50.8 mt-10 -71.97 -63.9 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.03 -24.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.01 -24.9 59.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.64 -56.28 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.97 -29.9 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.5 t -88.1 9.09 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.11 -42.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -38.73 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.0 mmt180 -132.58 -176.54 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.55 163.81 21.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.04 -28.01 9.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.08 -23.86 59.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.06 -33.28 22.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 82.6 m -55.54 -29.27 58.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 33.9 tt0 -75.52 -49.74 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -45.39 91.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -59.47 -58.75 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -52.56 -47.89 66.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 mtt -47.02 -44.53 20.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.2 -46.49 70.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -124.08 77.01 59.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -51.92 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.27 -51.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.3 -159.08 2.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -175.05 128.77 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.04 72.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.16 169.57 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 68.62 153.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.56 168.48 24.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.61 144.65 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG13 ' HB2' ' A' ' 68' ' ' SER . 4.1 p -43.68 149.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 t -74.53 62.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.417 ' HB2' HG13 ' A' ' 66' ' ' VAL . 6.6 t -118.73 110.03 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.44 158.28 0.9 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -65.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.23 75.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 p -146.72 165.79 28.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -96.52 167.24 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -144.94 114.87 7.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.014 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.94 97.71 2.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -173.44 90.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 0.779 . . . . 0.0 109.938 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.29 104.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.01 69.28 0.84 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.66 152.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.259 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -107.65 124.13 49.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -152.06 171.01 18.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.43 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 32.4 m0 -88.59 -175.03 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 47.5 p-10 -127.74 157.32 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -38.31 -55.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -43.99 -46.22 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 10.7 mt-10 -70.53 -57.48 4.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -47.65 -69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 13.9 pt20 -38.75 -41.41 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.579 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.7 mtmt -66.07 -49.68 66.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 59.2 tp -56.44 -55.92 27.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.7 m-70 -61.39 -57.3 12.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 36.5 t -42.41 -70.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -49.9 -54.82 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 35.7 t80 -47.29 -30.25 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -87.57 -55.13 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -56.26 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.5 mt -75.37 144.04 77.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.29 40.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.75 -1.12 57.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -92.79 10.24 31.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.58 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -90.45 164.02 28.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -76.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.39 50.79 4.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.717 ' O ' HG13 ' A' ' 37' ' ' VAL . 52.9 t80 -52.49 -37.23 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.4 m95 -67.18 -51.76 49.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -51.27 -32.96 26.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.685 ' HB3' HD13 ' A' ' 26' ' ' LEU . 63.2 mt-10 -72.76 -64.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.22 -23.93 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.62 -25.11 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.2 -55.81 30.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.54 -32.1 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.5 t -85.54 9.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.14 -42.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.18 -28.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -132.39 -176.22 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.4 163.21 22.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.0 -28.01 9.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -85.45 -36.01 20.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.6 m -53.25 -28.03 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 2.6 tt0 -77.7 -48.93 15.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -54.0 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.63 -67.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.509 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 43.6 t80 -41.58 -58.1 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 mmm -49.39 -39.92 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.91 -41.57 74.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -126.54 75.33 74.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -63.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.425 1.75 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.2 -61.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.55 150.24 22.22 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.81 158.64 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.65 -146.94 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.66 151.66 39.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.11 97.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 162.33 35.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -170.58 149.36 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.586 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.38 131.13 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 67' ' ' THR . 8.8 t -165.74 116.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 t -107.43 145.56 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.54 89.56 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.39 14.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -115.17 144.71 43.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.37 163.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -63.42 -58.49 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.776 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -91.99 -58.09 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.69 -143.94 17.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -127.02 79.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -133.34 98.2 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.26 89.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.98 135.1 57.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.85 55.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -132.64 148.83 52.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.107 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -94.6 176.38 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.486 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.6 p-10 -119.06 157.43 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -38.97 -52.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -47.31 -46.28 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.4 mt-10 -69.78 -53.2 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -49.29 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.2 pt20 -41.72 -40.96 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.581 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.1 mtmm -63.67 -45.31 90.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' A' ' 41' ' ' VAL . 20.7 tp -63.25 -55.62 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ALA . 17.1 m-70 -59.48 -58.35 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.3 t -43.41 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.74 -54.47 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.86 -32.45 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.0 -56.1 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -52.87 -56.37 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.98 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.6 mt -76.7 148.14 79.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.03 153.12 41.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.91 -10.96 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 13.9 p80 -79.58 -13.78 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.615 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -65.6 157.6 78.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -68.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.69 3.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' O ' HG13 ' A' ' 37' ' ' VAL . 42.6 t80 -54.38 -46.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -59.97 -46.86 88.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -56.18 -34.82 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.98 ' OE1' HD22 ' A' ' 26' ' ' LEU . 48.7 mt-10 -72.0 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.44 -24.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.8 -23.77 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.41 -55.65 30.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.49 -31.51 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.0 t -87.23 9.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -38.5 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -132.13 -176.42 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.3 163.7 21.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.492 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 -27.76 9.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.9 -22.59 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.06 -33.28 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' HB3' HD13 ' A' ' 19' ' ' LEU . 86.3 m -56.18 -26.69 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 32.9 tt0 -80.18 -52.44 7.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -56.83 -39.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -58.76 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 57' ' ' PRO . 11.3 t80 -52.71 -52.82 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.9 mtt -40.27 -44.75 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.16 -47.97 69.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -122.28 77.4 43.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 18.3 Cg_endo -75.0 -162.97 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.31 86.27 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.7 82.24 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -141.13 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.47 -152.87 19.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.563 1.164 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.19 153.1 23.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -130.39 -58.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.46 165.74 19.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.3 65.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.5 t -55.89 124.17 8.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 t -120.23 124.84 46.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.5 m 55.47 167.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.44 -83.48 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.6 p -66.04 131.46 46.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -168.65 134.85 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.07 148.6 46.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 0.715 . . . . 0.0 110.068 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -138.42 94.83 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.45 103.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -62.7 123.54 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -74.33 98.96 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.72 159.41 31.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.76 94.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.83 112.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -162.09 162.02 28.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 35.1 m0 -103.0 -177.52 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 51.0 p-10 -121.15 159.74 25.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.35 -52.54 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -46.87 -47.35 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.1 mt-10 -70.06 -54.35 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -48.5 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -39.17 -40.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 41' ' ' VAL . 10.4 mtmm -66.81 -49.57 65.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' HA ' HG21 ' A' ' 41' ' ' VAL . 38.3 tp -57.43 -53.68 55.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.6 m-70 -63.24 -58.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.1 t -41.97 -70.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.668 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.9 -55.56 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 11.2 t80 -50.43 -31.21 14.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.84 -56.11 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -54.12 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.057 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.975 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.5 mt -79.39 141.96 57.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.44 43.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.99 -3.78 53.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 8.58 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.566 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -89.34 167.28 18.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -83.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.86 53.02 3.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.657 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.1 t80 -51.65 -39.62 58.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.6 m95 -65.93 -47.92 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.59 -34.13 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.975 ' OE1' HD22 ' A' ' 26' ' ' LEU . 54.8 mt-10 -71.64 -63.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.668 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 3.2 m -53.21 -24.28 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.33 -24.52 59.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.84 -56.15 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.17 -31.16 60.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.4 t -87.12 9.17 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.4 t -38.69 -28.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.5 mmt180 -132.54 -176.44 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.54 164.01 21.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -29.39 8.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.49 -25.1 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.45 -37.36 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 68.1 m -51.07 -29.7 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 45.3 tt0 -75.74 -57.85 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -50.13 59.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -54.29 -64.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -41.73 -56.2 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 mtp -40.84 -46.14 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.01 -47.35 80.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -126.62 76.19 74.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.489 1.783 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.4 100.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.1 -173.71 25.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 167.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.99 -119.6 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 t -118.96 94.12 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.84 157.57 15.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? 58.47 69.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -171.9 -61.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.36 151.35 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.8 p -57.15 152.7 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' GLY . 44.5 m -62.88 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' SER . . . -37.09 98.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 103.49 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m 63.16 106.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.5 p -72.3 125.35 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.033 179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.23 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m 62.65 112.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.66 -175.03 1.79 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.96 82.25 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 t -153.69 90.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.14 -156.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.88 176.33 9.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -155.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.17 171.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.513 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 37.8 m0 -85.79 -177.61 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.465 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 17.4 p30 -117.57 162.17 18.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -44.81 -49.78 10.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -48.39 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.2 mt-10 -67.53 -50.42 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -53.07 -69.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.0 pt20 -40.11 -38.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.7 mtmm -67.24 -48.41 67.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HA ' HG21 ' A' ' 41' ' ' VAL . 37.3 tp -59.73 -54.33 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ALA . 16.0 m-70 -61.16 -57.28 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.65 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.4 t -42.65 -70.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.285 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.567 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -48.43 -54.15 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.428 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 14.5 t80 -49.62 -31.04 9.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -86.77 -55.38 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -53.18 -54.11 40.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 36' ' ' GLU . 5.7 mt -78.5 146.27 69.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 152.72 40.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.58 -1.15 57.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -87.36 -17.09 33.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.599 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 9.3 mttt -63.15 160.28 41.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -71.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.03 50.19 4.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.706 ' O ' HG13 ' A' ' 37' ' ' VAL . 48.1 t80 -53.12 -39.35 63.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.793 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -65.39 -49.99 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.46 -32.44 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.748 ' HB3' HD13 ' A' ' 26' ' ' LEU . 54.2 mt-10 -73.8 -63.78 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.21 -24.02 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.32 -24.63 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.45 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.79 -30.64 61.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.0 t -87.84 9.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.01 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.72 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.011 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.7 mmt180 -132.24 -176.35 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.75 163.98 20.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.02 -29.96 7.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.0 -25.15 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -83.31 -35.77 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.467 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.6 m -52.49 -30.54 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -75.03 -53.72 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -46.07 76.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -58.57 -65.76 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.428 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 28.9 t80 -42.21 -53.81 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.7 mtp -40.32 -43.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.22 -48.23 74.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -123.55 76.6 54.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -51.36 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.09 -160.94 32.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.71 169.15 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.31 -90.5 1.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 p 61.56 69.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.31 154.87 19.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.39 152.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.71 125.6 17.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.6 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.5 t -89.87 120.61 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -151.29 139.34 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -117.55 -59.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.59 176.84 50.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 130.48 13.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -97.58 -58.71 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.98 -58.55 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 153.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t 62.71 111.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.66 -97.63 0.17 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -106.74 88.09 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.046 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p 41.21 77.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.67 84.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.28 164.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.0 29.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -96.1 165.2 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 -107.62 177.0 4.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -114.31 149.24 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.23 -29.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -62.18 -46.27 89.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.1 mm-40 -72.83 -55.28 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -40.5 -68.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 11.9 pt20 -45.36 -40.54 8.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.4 mtmm -66.16 -37.47 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 49' ' ' CYS . 48.2 tp -70.61 -53.45 15.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -63.26 -53.68 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.9 t -45.84 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.74 -52.29 19.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t80 -50.9 -30.47 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.56 -54.93 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -53.52 -51.66 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.994 HD22 ' OE1' ' A' ' 36' ' ' GLU . 8.3 mt -81.57 147.29 59.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.99 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.72 -6.83 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -84.8 -9.93 57.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.613 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -68.78 162.03 66.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -75.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.37 51.9 4.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.592 ' O ' HG13 ' A' ' 37' ' ' VAL . 45.3 t80 -52.38 -45.62 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.769 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.7 m95 -60.97 -46.77 89.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.52 -35.57 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.994 ' OE1' HD22 ' A' ' 26' ' ' LEU . 28.4 mt-10 -71.3 -63.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.633 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.6 -24.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.24 -22.29 57.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -55.49 28.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.64 -24.78 56.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.677 HG22 ' HB3' ' A' ' 18' ' ' LYS . 83.2 t -94.36 8.87 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.36 -42.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -38.88 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.5 mmt180 -132.21 -176.29 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.72 162.67 24.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.057 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -27.98 9.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.1 -23.19 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -32.92 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.6 m -57.12 -27.02 61.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -78.95 -53.85 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -56.2 -35.06 66.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -59.33 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.83 -51.54 60.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 mtt -42.93 -43.27 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.22 -51.2 59.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -124.37 76.9 61.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.11 87.64 3.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.53 -96.24 0.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.12 170.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.27 -71.79 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 p -58.13 167.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.85 141.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -132.98 172.08 13.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 18.7 p80 -78.54 -56.11 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 93.3 t 63.56 128.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 p -99.72 163.52 12.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.8 p -53.46 134.18 40.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.37 68.37 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.94 42.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.62 159.83 40.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.6 p -80.05 133.42 36.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -159.63 162.47 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -58.52 7.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.14 133.93 11.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.456 1.097 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -46.3 130.88 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.87 137.77 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.951 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.65 90.16 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.96 102.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -125.79 129.53 49.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 48.12 -176.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 14.4 m0 -95.47 -176.2 3.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' O ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -133.15 -170.96 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -50.35 73.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 8.0 mptt -46.78 -46.01 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 44' ' ' ARG . 7.6 mt-10 -77.43 -63.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 12' ' ' ASN . 1.9 mm? -39.79 -66.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 13.0 pt20 -40.37 -46.46 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.58 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.9 mtmm -62.21 -46.33 89.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' HA ' HG21 ' A' ' 41' ' ' VAL . 56.0 tp -60.31 -58.66 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.2 m-70 -57.99 -59.58 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.0 t -42.87 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 108.276 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.557 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.6 -56.36 5.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -48.94 -31.12 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.47 -55.93 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -53.83 -54.74 34.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.002 HD22 ' OE1' ' A' ' 36' ' ' GLU . 9.5 mt -78.0 142.35 64.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.51 42.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.86 -7.48 46.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.14 -6.91 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -76.26 161.9 73.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.07 53.05 3.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.71 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.0 t80 -55.25 -38.96 69.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.583 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -66.0 -49.19 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 108.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.71 -34.73 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.002 ' OE1' HD22 ' A' ' 26' ' ' LEU . 28.5 mt-10 -71.03 -63.99 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.46 -24.93 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.48 -23.75 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.21 -55.23 36.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -76.11 -31.34 58.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 43' ' ' SER . 92.9 t -87.11 9.05 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.37 -41.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.128 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 15.2 p -38.77 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 0.72 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -131.94 -176.28 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.03 162.35 25.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -26.77 10.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -74.73 -22.88 58.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.49 -32.32 20.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 69.1 m -57.17 -27.42 61.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 49.8 tt0 -78.32 -48.97 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -52.66 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -67.76 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -38.66 -57.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -43.41 47.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.14 -44.73 87.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -125.35 76.82 68.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -131.97 -56.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.66 -178.36 36.68 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 175.24 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.54 55.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.0 p -176.69 105.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -162.47 -61.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -116.13 167.42 11.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.89 173.93 11.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.613 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.0 p -42.36 136.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -122.24 119.01 29.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.418 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -79.31 173.78 12.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.3 160.8 28.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -177.47 3.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.5 145.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.4 163.92 31.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -102.08 116.7 33.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -76.62 -54.63 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.09 -155.4 6.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 61.18 119.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -154.96 173.83 16.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.45 110.38 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.08 85.49 2.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -135.7 90.04 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -153.77 -178.53 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 16.6 m0 -101.62 155.97 17.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' GLU . 17.1 p30 -96.54 151.49 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.26 -25.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.44 -43.31 90.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -74.31 -56.34 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.1 mm? -39.82 -66.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 8.0 pt20 -47.51 -40.59 19.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.729 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.9 mtmm -65.22 -48.56 72.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' A' ' 49' ' ' CYS . 24.9 tp -59.07 -55.35 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -60.82 -54.33 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.6 t -47.32 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.79 -52.28 11.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 8.1 t80 -52.11 -31.99 33.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.6 -55.49 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -52.62 58.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 36' ' ' GLU . 9.2 mt -79.41 148.06 69.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.39 35.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.7 -2.64 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.37 -0.01 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -78.88 166.15 44.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -79.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.51 53.56 3.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.688 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.0 t80 -53.28 -41.46 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.88 -48.34 77.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.68 -33.9 61.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 26' ' ' LEU . 19.8 mt-10 -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.57 -24.01 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.93 -22.48 58.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -55.78 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.59 -24.4 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' ' 18' ' ' LYS . 77.8 t -94.68 8.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.5 -41.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -39.36 -28.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.986 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -132.48 -176.29 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.39 162.28 25.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -28.25 9.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.63 -21.56 61.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -87.6 -33.81 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 61.7 m -55.43 -27.87 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 21.0 tt0 -77.79 -55.38 5.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.1 64.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -61.74 -61.64 2.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.413 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 23.0 t80 -48.5 -51.4 27.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.0 mtt -43.82 -44.1 6.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.91 -50.73 47.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -123.75 77.18 56.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -50.69 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.58 90.81 1.34 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -155.22 -146.38 4.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 159.09 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.9 107.12 1.09 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 t -138.04 92.23 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 110.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -112.58 98.36 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 172.37 15.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -95.32 123.04 38.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 66' ' ' VAL . 2.8 m -54.54 133.25 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 t -122.11 135.74 54.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -108.16 165.01 11.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.92 94.15 0.1 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.1 11.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.76 145.31 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -91.52 160.47 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -116.74 -59.01 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.41 130.34 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.53 -168.88 25.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.11 98.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m 54.59 96.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.13 157.46 27.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.35 -176.76 5.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -159.91 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 58.08 174.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 17.8 m0 -85.67 160.93 19.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' GLU . 15.2 p30 -105.43 153.25 21.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.41 -25.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -63.6 -44.9 92.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -75.28 -56.68 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 11' ' ' TRP . 4.0 mm? -40.15 -67.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 5.6 pt20 -45.51 -40.85 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.591 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.0 mtmm -66.45 -44.9 81.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 23.7 tp -61.74 -54.32 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -62.84 -50.22 71.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.0 t -51.9 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -46.4 -48.68 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 10.5 t80 -53.61 -41.13 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -56.26 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -54.06 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.777 HD13 ' HB3' ' A' ' 36' ' ' GLU . 11.1 mt -76.72 150.18 81.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.05 144.67 30.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.88 -6.99 47.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -90.53 12.71 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' CD ' ' HG2' ' A' ' 27' ' ' PRO . 7.1 mtpp -95.87 162.01 25.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -73.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.93 53.99 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.607 ' O ' HG13 ' A' ' 37' ' ' VAL . 44.8 t80 -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.5 m95 -58.82 -47.48 84.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.3 -35.29 64.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.777 ' HB3' HD13 ' A' ' 26' ' ' LEU . 8.6 mt-10 -72.04 -62.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.724 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.7 m -53.68 -24.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . . . -75.7 -24.6 56.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' SER . 78.9 t -94.01 8.87 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.41 -41.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.22 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mmt180 -133.27 -176.32 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.9 163.2 22.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.546 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.98 -28.37 9.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.75 -22.37 60.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.07 -33.58 19.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.1 m -56.0 -26.83 50.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.0 tt0 -79.46 -54.47 5.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -54.47 -34.33 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -62.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -52.05 -38.98 58.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.8 mtt -55.83 -45.86 78.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.5 -48.39 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -122.53 77.16 46.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -164.1 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.3 ptt85 -90.54 138.36 31.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.29 157.05 0.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.97 89.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.63 147.86 6.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.6 -66.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.983 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -171.73 160.04 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -175.65 152.43 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.37 93.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -55.68 -61.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 t -138.08 150.55 46.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.5 t -131.74 -54.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.96 159.13 24.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 175.01 11.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 t -69.51 141.55 53.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.43 157.37 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -81.3 -58.54 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 0.723 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.57 -58.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.04 -74.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m 58.7 102.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t 58.32 164.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.23 56.36 2.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.21 142.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.5 32.17 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -48.43 158.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.467 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 30.6 m0 -97.87 -176.12 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 41.0 p-10 -117.12 163.68 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.76 -50.87 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.51 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.489 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 30.6 mt-10 -67.18 -49.34 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 12' ' ' ASN . 3.8 mm? -53.44 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.9 pt20 -39.45 -40.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.732 ' HB3' HG22 ' A' ' 41' ' ' VAL . 16.2 mtmt -63.64 -54.77 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' HA ' HG21 ' A' ' 41' ' ' VAL . 26.2 tp -55.47 -56.29 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' CYS . 16.3 m-70 -57.9 -59.84 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.634 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 48.5 t -41.28 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.06 -64.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 33' ' ' PHE . 6.8 t80 -41.47 -30.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 21' ' ' CYS . . . -83.56 -56.22 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.2 t -55.25 -54.8 38.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.771 HD22 ' OE1' ' A' ' 36' ' ' GLU . 7.7 mt -79.39 140.6 56.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 157.67 42.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -93.59 -1.66 55.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -84.69 -6.61 59.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -76.76 162.53 70.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.11 50.04 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.721 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.3 t80 -53.56 -36.61 62.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.6 m95 -68.82 -52.58 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -50.89 -33.41 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.771 ' OE1' HD22 ' A' ' 26' ' ' LEU . 96.3 mt-10 -71.32 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.28 -25.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.83 -24.17 59.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.3 -55.55 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.45 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG22 ' HB3' ' A' ' 18' ' ' LYS . 84.6 t -85.44 9.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.03 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -37.94 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.97 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.3 mmt180 -130.95 -176.45 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.31 162.56 24.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.504 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -26.37 11.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.35 -22.74 57.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.68 -33.9 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HB3' HD13 ' A' ' 19' ' ' LEU . 82.1 m -55.41 -27.25 46.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 11.9 tt0 -78.29 -49.39 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.84 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -57.88 8.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -54.41 -50.38 67.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.1 mtp -45.51 -44.02 12.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.11 -48.02 75.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -121.82 77.5 39.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -51.63 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 179.22 94.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.74 -64.25 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.59 134.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.36 -123.44 0.73 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.3 p -148.98 145.67 27.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -177.34 169.66 2.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 67.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -162.77 97.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.581 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.73 142.91 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.22 155.04 30.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.46 167.87 28.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.2 97.29 0.33 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.45 24.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.8 m -115.57 -59.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 p -143.66 169.21 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.89 105.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.47 109.28 19.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.32 115.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.1 160.35 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.5 106.7 17.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.79 -83.93 0.21 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.7 144.09 46.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.33 130.37 42.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -102.13 167.87 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.407 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 16.1 m0 -89.46 168.7 11.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.065 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 3.8 p30 -114.77 168.08 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 2.7 tt0 -41.7 -58.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 27.2 mttt -42.94 -50.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 11' ' ' TRP . 35.6 mt-10 -65.52 -52.82 49.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.3 mm? -53.18 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.6 pt20 -43.23 -37.39 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.6 mtmm -69.65 -42.95 73.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.53 ' HA ' HG21 ' A' ' 41' ' ' VAL . 35.8 tp -64.27 -50.06 69.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ALA . 13.1 m-70 -66.66 -56.42 10.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.0 t -44.0 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.0 -54.41 6.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.536 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 4.3 t80 -51.76 -30.55 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.66 -56.17 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -51.99 62.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.3 mt -78.39 151.29 77.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.54 33.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.536 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.72 -0.91 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -99.93 17.58 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 1.5 mttm -93.7 162.88 26.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.48 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 37' ' ' VAL . 47.0 t80 -52.0 -40.82 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.582 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.2 m95 -63.46 -48.87 75.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.18 -32.51 55.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.707 ' HB3' HD13 ' A' ' 26' ' ' LEU . 59.3 mt-10 -73.63 -63.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.41 -23.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.86 -24.0 58.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.2 -55.44 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.72 -32.15 59.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.1 t -86.8 9.23 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.15 -42.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.0 m -38.71 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -131.68 -176.46 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.99 163.67 21.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.494 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -30.83 6.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -70.41 -23.11 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -85.56 -34.43 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.487 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.3 m -54.06 -29.67 45.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 108.337 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -76.03 -50.45 14.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -48.87 78.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -58.23 8.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -54.88 -51.03 67.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.7 mtp -43.65 -45.47 6.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.69 -47.26 76.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -122.55 77.27 46.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -52.97 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.69 -60.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.44 67.44 0.22 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 173.47 8.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -131.88 -159.48 9.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 m -130.24 -58.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.14 134.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.87 146.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.81 87.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.578 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.22 147.58 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 t -130.53 154.4 47.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -140.6 -65.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.95 156.76 49.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 77.17 3.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.79 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.31 164.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -80.86 104.01 11.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.49 -58.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.025 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -121.71 91.5 3.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.54 -135.77 12.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.549 1.155 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m 61.47 87.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -137.37 93.79 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.3 87.03 1.96 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -63.93 160.9 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 0.745 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.12 60.62 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -159.79 165.79 31.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.493 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 14.6 m0 -89.1 160.21 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.005 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 15' ' ' GLU . 53.0 p30 -111.17 155.83 22.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -42.64 -27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' ASN . 10.2 mttt -62.49 -47.27 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.0 mm-40 -75.17 -55.91 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 11' ' ' TRP . 4.1 mm? -39.84 -67.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 22.3 pt20 -45.94 -41.37 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.707 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.0 mtmm -64.9 -50.1 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 49' ' ' CYS . 34.5 tp -57.03 -55.36 35.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -61.35 -57.84 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.62 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 53.7 t -44.56 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -43.95 -55.74 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 3.7 t80 -50.26 -31.35 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -84.5 -55.99 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -54.32 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.006 HD22 ' OE1' ' A' ' 36' ' ' GLU . 12.1 mt -79.85 147.05 65.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -75.02 153.19 41.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -12.77 30.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 13.5 p80 -76.85 -12.12 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.558 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -67.77 158.99 81.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.58 49.73 4.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.611 ' O ' HG13 ' A' ' 37' ' ' VAL . 40.7 t80 -53.04 -47.82 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.568 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.5 m95 -59.49 -46.85 87.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 107.992 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.19 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.006 ' OE1' HD22 ' A' ' 26' ' ' LEU . 38.4 mt-10 -71.91 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.628 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.36 -23.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.68 -24.2 58.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -56.22 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.85 -28.79 60.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 18' ' ' LYS . 83.8 t -89.38 8.99 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.2 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.668 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.15 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.027 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.0 mmt180 -132.88 -176.16 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.35 163.88 20.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.03 -28.31 9.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.66 -23.13 60.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.03 -36.3 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB3' HD13 ' A' ' 19' ' ' LEU . 69.6 m -53.05 -26.68 16.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.295 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.568 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -78.77 -56.33 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -55.04 13.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -52.19 -67.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -38.94 -58.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.4 mmm -53.03 -42.79 66.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.85 -46.58 81.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -125.24 76.67 68.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -57.99 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.92 156.97 44.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.74 137.59 13.97 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 -63.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.794 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -112.15 76.66 0.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.75 145.93 27.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.97 115.43 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.25 142.85 50.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -146.94 162.29 39.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.583 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.2 t 60.95 82.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.9 m -150.11 -61.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.76 147.96 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.3 159.46 18.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 160.68 40.01 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.4 t -109.09 100.76 9.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 t -150.12 139.31 21.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.089 . . . . 0.0 111.014 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m 46.84 79.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -135.11 167.06 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.46 99.86 0.97 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.14 149.82 27.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -154.66 129.99 9.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.74 -144.84 6.93 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 56.54 -172.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 12.03 25.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -107.01 171.67 7.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 26.8 m0 -94.12 -177.51 4.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.442 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 46.4 p30 -124.65 153.93 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -37.56 -47.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.6 -51.13 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE2' ' ND2' ' A' ' 12' ' ' ASN . 9.8 mt-10 -63.95 -59.9 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -41.74 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -44.95 -37.78 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.6 mtmm -67.59 -39.53 84.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.636 ' HA ' HG21 ' A' ' 41' ' ' VAL . 32.5 tp -70.23 -53.37 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -61.32 -52.15 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.7 t -46.31 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.63 -51.69 20.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.61 -31.0 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.52 -55.18 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -53.38 51.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 36' ' ' GLU . 5.9 mt -79.51 145.26 63.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.79 41.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.97 -1.02 57.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -89.96 -4.16 57.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 12.8 mttm -76.09 161.61 74.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -72.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.85 49.49 4.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.705 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.4 t80 -51.7 -42.6 62.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.7 m95 -62.2 -54.57 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -49.87 -32.17 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.748 ' HB3' HD13 ' A' ' 26' ' ' LEU . 60.1 mt-10 -73.83 -64.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.6 m -53.71 -24.75 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.74 -23.02 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -61.36 -55.96 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.39 -27.04 58.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.0 t -91.61 9.36 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -21.93 -42.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 11.2 t -38.71 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.3 mmt180 -131.38 -175.77 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.81 162.41 23.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.511 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -24.35 12.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -76.35 -21.6 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -86.75 -36.05 18.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 85.9 m -53.11 -29.5 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -76.67 -47.67 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -66.79 -48.47 68.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -59.24 -65.64 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.459 ' CB ' ' O ' ' A' ' 49' ' ' CYS . 32.0 t80 -45.23 -53.65 8.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.5 mmm -41.63 -42.45 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.59 -47.34 86.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -124.25 76.36 60.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.69 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -86.22 91.48 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.22 -120.85 1.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.088 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -144.65 111.58 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.88 -176.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 t -179.15 124.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -93.44 121.99 35.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.97 99.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.403 ' C ' ' CG2' ' A' ' 66' ' ' VAL . 23.4 m170 -86.35 -61.93 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' CG2' ' C ' ' A' ' 65' ' ' HIS . 2.8 m 40.19 55.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 m -70.14 -66.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.57 140.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.65 95.34 0.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -57.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.59 145.96 2.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.08 -58.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 110.976 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.09 82.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 53.54 81.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.97 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.94 161.85 8.9 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -74.97 162.24 28.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.76 156.39 42.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.61 -97.98 0.29 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.9 149.99 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' CE ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -105.08 132.81 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 4.6 pt-20 -39.19 158.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 -86.28 173.35 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -119.3 159.44 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -47.96 77.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -77.73 -54.7 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.415 HD11 ' HZ1' ' A' ' 52' ' ' LYS . 3.8 mm? -40.71 -66.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 21.3 pt20 -45.82 -41.01 10.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.647 ' HB3' HG22 ' A' ' 41' ' ' VAL . 23.9 mtmt -66.09 -51.65 56.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 49' ' ' CYS . 26.7 tp -55.34 -56.47 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 24' ' ' ALA . 14.3 m-70 -59.28 -59.34 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.8 t -43.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.594 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -44.84 -56.39 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.537 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 6.3 t80 -49.2 -32.8 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -83.25 -56.07 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.81 -54.49 33.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.012 HD22 ' OE1' ' A' ' 36' ' ' GLU . 12.2 mt -81.2 144.1 53.63 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HB2' ' ND1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -74.99 155.93 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.79 -12.76 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.406 ' ND1' ' HB2' ' A' ' 27' ' ' PRO . 12.0 p-80 -75.04 -8.91 57.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -72.09 160.5 82.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -74.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.22 50.83 4.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.634 ' O ' HG13 ' A' ' 37' ' ' VAL . 45.2 t80 -52.13 -45.17 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -61.88 -47.93 82.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -55.02 -35.22 64.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.012 ' OE1' HD22 ' A' ' 26' ' ' LEU . 35.3 mt-10 -72.03 -63.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.2 m -53.04 -23.75 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.58 -25.51 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -58.53 -56.3 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.93 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' ' N ' ' A' ' 43' ' ' SER . 72.4 t -85.91 9.03 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.666 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.27 -28.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.973 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -133.25 -176.44 4.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -94.63 163.79 21.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -27.56 9.84 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.755 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.42 -22.89 60.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 42.0 mt-10 -85.95 -35.25 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.4 m -54.35 -27.57 36.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 108.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 18.2 tt0 -78.98 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -44.89 -43.0 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.04 -62.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 17.1 t80 -48.43 -50.11 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 73.4 mtp -46.32 -48.31 18.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.8 -48.53 76.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -123.61 76.74 55.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -104.34 162.96 12.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.9 91.49 1.0 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -110.66 161.08 16.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.57 117.72 2.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -109.49 79.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -160.06 132.46 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.76 144.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -82.4 -60.15 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.2 t 62.42 93.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -138.28 126.75 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.5 p -136.62 143.41 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.8 68.94 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.71 18.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.79 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.12 -83.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.967 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -53.75 51.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.2 p -98.88 151.36 20.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.86 149.41 35.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.5 89.41 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 65.96 84.31 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.06 118.94 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.16 -117.99 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.61 95.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 13.23 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -52.5 172.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.8 m0 -94.24 151.71 19.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 108.036 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 36.4 p30 -98.18 150.89 21.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -38.27 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 mtmt -61.21 -56.72 17.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.518 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.8 mm-40 -62.31 -45.08 94.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.14 -69.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.0 pt20 -47.08 -35.78 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.696 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.8 mtmm -66.67 -51.19 58.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 49' ' ' CYS . 20.6 tp -58.98 -53.82 54.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -59.74 -54.81 41.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.579 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.3 t -47.2 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.57 -53.13 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t80 -51.62 -31.26 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -55.51 3.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -51.33 61.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.1 mt -82.31 147.08 55.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 151.41 39.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.85 -1.7 56.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -94.53 12.51 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -91.38 165.38 21.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.52 1.8 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.34 51.02 4.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.701 ' O ' HG13 ' A' ' 37' ' ' VAL . 51.6 t80 -52.96 -36.59 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -67.97 -48.35 66.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.49 -34.97 62.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.695 ' HB3' HD13 ' A' ' 26' ' ' LEU . 67.6 mt-10 -71.3 -64.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.5 m -53.48 -23.96 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.53 -23.23 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -56.14 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.19 -23.83 57.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.696 HG22 ' HB3' ' A' ' 18' ' ' LYS . 75.7 t -94.88 8.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.49 -42.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.57 -28.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.1 mmt180 -132.64 -176.29 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.41 162.36 24.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -28.92 8.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -71.86 -22.63 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -86.6 -35.1 19.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.52 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.9 m -53.79 -27.19 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 1.3 tt0 -78.4 -54.58 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -55.86 -40.85 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CE ' ' HB2' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -63.01 -61.27 2.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -47.86 -46.05 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.1 mtt -53.18 -51.79 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.85 -47.96 81.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -120.75 78.31 30.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.97 -58.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.97 -109.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -124.91 -63.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.45 130.96 0.78 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.05 106.96 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -159.33 110.46 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -171.64 103.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.79 158.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.3 t 51.92 90.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -146.14 133.69 20.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.66 -52.66 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -165.54 97.1 0.14 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 78.83 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.1 p -170.04 -67.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 93.2 p -39.85 -55.32 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m 64.15 112.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -57.52 131.84 51.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.43 164.18 28.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -67.61 101.48 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.65 -73.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.12 89.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.84 87.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -119.17 75.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -164.33 170.41 16.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.6 m0 -90.39 167.97 12.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 157.06 18.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.0 -19.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -72.71 -41.78 64.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 3.2 mm-40 -74.15 -57.71 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.18 -65.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 19.7 pt20 -46.21 -39.77 10.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.683 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.5 mtmt -67.79 -50.98 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' A' ' 41' ' ' VAL . 18.0 tp -55.48 -55.39 32.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -61.1 -56.74 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.3 t -45.89 -70.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.17 -54.53 6.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 13.4 t80 -50.67 -31.37 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.36 -55.76 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -55.18 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.692 HD13 ' HB3' ' A' ' 36' ' ' GLU . 10.0 mt -75.17 150.11 85.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.2 Cg_endo -75.02 146.52 32.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.6 -1.08 57.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -100.84 18.93 18.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -95.02 167.38 13.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -75.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.79 48.37 3.99 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.587 ' O ' HG13 ' A' ' 37' ' ' VAL . 40.1 t80 -49.64 -44.6 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.576 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 23.7 m95 -60.03 -49.36 77.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -53.6 -35.94 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.692 ' HB3' HD13 ' A' ' 26' ' ' LEU . 51.2 mt-10 -70.3 -63.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.68 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.65 -24.42 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.08 -22.43 58.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -61.91 -55.88 25.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.95 -26.19 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 18' ' ' LYS . 92.9 t -93.03 8.95 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.9 -28.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 0.79 . . . . 0.0 110.019 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.7 mmt180 -131.8 -176.52 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -95.1 162.79 23.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -25.38 11.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.25 -21.65 58.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 53.0 mt-10 -86.31 -35.22 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 85.5 m -53.63 -29.58 38.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -76.08 -55.89 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -45.84 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -62.84 1.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.526 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 21.4 t80 -45.85 -48.97 15.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.6 mtt -50.46 -38.88 46.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.06 -46.95 39.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -124.5 76.1 62.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -56.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -171.73 94.24 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.53 -123.39 2.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 -64.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.92 -63.27 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.51 131.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -171.74 164.69 6.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.98 133.4 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -168.69 151.61 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.73 90.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.0 t -165.82 139.52 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.0 151.12 45.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.82 87.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.3 p -173.02 -58.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.958 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 m -113.01 167.62 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.65 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -69.9 -57.56 4.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.43 -152.31 0.82 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 6' ' ' SER . 2.3 p -93.27 -59.79 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 0.749 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.422 ' N ' ' OG ' ' A' ' 5' ' ' SER . 33.7 t -159.55 126.72 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.63 57.11 8.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.04 127.68 46.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 103.72 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -178.09 149.67 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -107.96 163.05 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' GLU . 20.6 p30 -97.05 152.53 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' ASN . 1.9 mp0 -37.05 -41.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 11.9 mttp -53.93 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 5.0 mm-40 -47.14 -36.05 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.8 mm? -61.97 -69.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.5 pt20 -44.04 -33.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.644 ' CB ' HG22 ' A' ' 41' ' ' VAL . 7.8 mttp -66.64 -56.88 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 49' ' ' CYS . 26.2 tp -54.09 -50.91 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -61.88 -58.59 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.552 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 50.3 t -46.14 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -44.42 -54.47 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 34.2 t80 -52.15 -28.75 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -87.0 -55.88 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.0 m -55.31 -52.71 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 36' ' ' GLU . 4.3 mt -81.41 148.33 62.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.469 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.01 153.11 41.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.88 -1.08 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -101.47 18.05 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 1.9 mttm -91.48 167.34 15.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.427 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 -79.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.37 49.06 3.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 53.8 t80 -51.27 -39.8 57.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 24.8 m95 -66.73 -46.21 76.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.45 -34.23 66.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.682 ' HB3' HD13 ' A' ' 26' ' ' LEU . 54.5 mt-10 -71.85 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.61 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 7.1 m -53.48 -23.26 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.13 -22.85 57.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.95 -56.4 19.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.57 58.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.7 t -95.29 8.68 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.16 -42.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.656 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.16 -28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.9 mmt180 -132.1 -176.16 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.46 162.91 22.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.97 -27.71 9.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -72.47 -23.39 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -85.68 -34.08 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.526 ' HB3' HD13 ' A' ' 19' ' ' LEU . 61.3 m -54.73 -27.91 44.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 46.2 tt0 -77.17 -51.39 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -44.38 83.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -61.31 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -53.95 -46.65 71.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.9 mtp -47.33 -44.81 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.25 -49.04 59.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -122.41 77.19 44.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 166.72 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.61 104.14 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 tttm 76.97 -67.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 41.33 69.87 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.48 164.82 38.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 65.22 79.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.73 79.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -134.74 157.37 46.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 p -120.73 129.08 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 t -175.95 137.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 m -176.03 100.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.05 94.77 0.1 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t 70.06 -68.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.1 t -137.56 143.01 41.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.419 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 22.2 m0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 56.0 p30 -123.3 157.09 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -38.52 -53.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -44.44 -46.23 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 9.7 mt-10 -71.29 -57.02 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -46.4 -66.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 pt20 -43.83 -40.19 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.5 mtmm -67.84 -39.83 83.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.536 ' HA ' HG21 ' A' ' 41' ' ' VAL . 52.0 tp -67.06 -51.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.7 m-70 -65.49 -54.61 25.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.5 t -44.08 -70.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -48.32 -52.72 20.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 13.3 t80 -50.66 -30.18 12.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -88.51 -54.84 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -52.37 -53.09 49.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.027 HD22 ' OE1' ' A' ' 36' ' ' GLU . 8.2 mt -82.39 147.41 56.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.229 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.09 153.09 41.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.77 -5.0 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 11.0 p80 -84.56 -10.17 57.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -69.25 161.75 70.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.424 1.749 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.05 51.24 4.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.729 ' O ' HG13 ' A' ' 37' ' ' VAL . 48.6 t80 -53.54 -41.05 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.3 m95 -64.23 -50.28 68.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.29 -33.87 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.027 ' OE1' HD22 ' A' ' 26' ' ' LEU . 34.6 mt-10 -73.31 -64.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.0 -24.23 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.04 -25.18 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.37 -56.08 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.0 -29.45 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 84.1 t -88.38 9.13 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.24 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 4.9 p -38.76 -29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.4 mmt180 -132.91 -176.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.5 163.58 22.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -27.57 9.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.64 -22.99 58.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.14 -32.28 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.418 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 85.2 m -57.41 -27.65 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 1.8 tt0 -78.17 -52.52 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -38.36 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 20.2 m0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 44.8 p-10 -115.28 155.03 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -38.15 -50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.8 mmtt -47.86 -50.01 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.478 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.7 mt-10 -64.65 -53.65 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.9 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 6.1 pt20 -42.73 -37.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.61 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.2 mtmt -67.12 -44.66 79.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HA ' HG21 ' A' ' 41' ' ' VAL . 39.7 tp -64.33 -53.78 43.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -61.12 -54.6 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 40.5 t -45.32 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.261 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.54 -53.24 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 15.2 t80 -50.39 -30.67 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.5 -55.17 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.06 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' ' 36' ' ' GLU . 4.6 mt -77.67 150.46 79.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -74.99 150.22 37.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.62 -1.21 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -98.53 16.1 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -91.86 165.76 19.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.23 47.43 3.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.665 ' O ' HG13 ' A' ' 37' ' ' VAL . 47.3 t80 -50.31 -39.81 46.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -65.24 -49.2 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.67 -35.4 61.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.72 ' HB3' HD13 ' A' ' 26' ' ' LEU . 61.2 mt-10 -70.49 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.2 m -52.98 -25.3 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.542 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.63 -25.1 60.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.04 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.4 -32.22 60.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.8 t -85.72 9.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.43 -41.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 12.8 p -38.57 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.48 -176.46 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 162.81 24.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.542 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -26.47 10.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.83 -22.52 56.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -86.96 -31.67 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HB3' HD13 ' A' ' 19' ' ' LEU . 83.9 m -57.74 -27.47 63.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 17.0 tt0 -77.2 -47.23 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -52.98 62.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.426 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 22.5 m0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.1 p30 -117.67 155.46 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 2.5 tt0 -38.1 -51.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.78 -49.34 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 13.5 mt-10 -65.28 -54.21 32.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.89 -68.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.6 pt20 -44.17 -38.47 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.1 mttm -67.06 -40.61 87.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.577 ' HA ' HG21 ' A' ' 41' ' ' VAL . 36.4 tp -68.34 -53.3 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -62.05 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.62 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 46.0 t -47.67 -70.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.66 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.12 -51.33 18.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 14.3 t80 -51.88 -34.04 39.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.03 -55.64 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -56.88 11.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.959 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.4 mt -76.18 146.71 78.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.28 40.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.66 -5.41 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -86.21 -3.59 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.559 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 5.1 mttm -76.13 160.92 77.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.94 49.46 4.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.708 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.5 t80 -52.48 -41.39 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.583 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.76 -50.62 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -52.74 -33.91 50.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.959 ' OE1' HD22 ' A' ' 26' ' ' LEU . 49.0 mt-10 -72.8 -64.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.8 m -53.01 -24.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.99 -25.08 59.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.16 -56.09 26.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.08 -30.91 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.675 ' O ' ' N ' ' A' ' 43' ' ' SER . 85.4 t -87.02 9.0 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.29 -42.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.675 ' N ' ' O ' ' A' ' 41' ' ' VAL . 29.6 t -38.92 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.73 -176.47 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.06 163.17 22.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -28.76 8.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.53 -20.55 60.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.11 -31.78 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB3' HD13 ' A' ' 19' ' ' LEU . 84.2 m -58.04 -26.33 62.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.339 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -79.18 -43.72 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -64.8 -55.04 22.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.462 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 23.9 m0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 40.5 p-10 -115.53 156.1 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -37.68 -54.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 1.4 mtmt -46.17 -49.91 16.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 34.9 mt-10 -66.09 -43.5 87.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -60.98 -67.71 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 10.8 pt20 -40.79 -38.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 10.1 mttm -67.32 -47.93 69.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' HA ' HG21 ' A' ' 41' ' ' VAL . 20.6 tp -59.93 -54.81 41.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.81 -55.13 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.1 t -46.21 -70.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -46.23 -52.97 11.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 15.1 t80 -51.35 -30.99 20.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.83 -55.49 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -52.04 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.95 HD22 ' OE1' ' A' ' 36' ' ' GLU . 5.7 mt -81.17 147.01 59.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 152.31 40.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -0.64 57.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -90.48 -12.57 36.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -65.99 162.39 46.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -75.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.95 51.33 4.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.705 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.5 t80 -53.35 -40.33 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.576 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -64.66 -48.63 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.31 -34.85 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.95 ' OE1' HD22 ' A' ' 26' ' ' LEU . 50.8 mt-10 -71.97 -63.9 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.03 -24.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.01 -24.9 59.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.64 -56.28 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.97 -29.9 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.5 t -88.1 9.09 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.11 -42.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -38.73 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.0 mmt180 -132.58 -176.54 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.55 163.81 21.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.04 -28.01 9.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.08 -23.86 59.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.06 -33.28 22.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 82.6 m -55.54 -29.27 58.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 33.9 tt0 -75.52 -49.74 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -45.39 91.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 32.4 m0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 47.5 p-10 -127.74 157.32 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -38.31 -55.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -43.99 -46.22 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 10.7 mt-10 -70.53 -57.48 4.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -47.65 -69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 13.9 pt20 -38.75 -41.41 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.579 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.7 mtmt -66.07 -49.68 66.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 59.2 tp -56.44 -55.92 27.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.7 m-70 -61.39 -57.3 12.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 36.5 t -42.41 -70.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -49.9 -54.82 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.475 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 35.7 t80 -47.29 -30.25 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -87.57 -55.13 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -56.26 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.5 mt -75.37 144.04 77.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.29 40.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.75 -1.12 57.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -92.79 10.24 31.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.58 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -90.45 164.02 28.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -76.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.39 50.79 4.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.717 ' O ' HG13 ' A' ' 37' ' ' VAL . 52.9 t80 -52.49 -37.23 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.4 m95 -67.18 -51.76 49.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -51.27 -32.96 26.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.685 ' HB3' HD13 ' A' ' 26' ' ' LEU . 63.2 mt-10 -72.76 -64.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.22 -23.93 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.62 -25.11 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.2 -55.81 30.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.54 -32.1 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.5 t -85.54 9.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.14 -42.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.18 -28.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -132.39 -176.22 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.4 163.21 22.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.0 -28.01 9.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -85.45 -36.01 20.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.6 m -53.25 -28.03 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 2.6 tt0 -77.7 -48.93 15.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -54.0 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.5 m0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.486 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.6 p-10 -119.06 157.43 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -38.97 -52.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -47.31 -46.28 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.4 mt-10 -69.78 -53.2 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -49.29 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.2 pt20 -41.72 -40.96 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.581 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.1 mtmm -63.67 -45.31 90.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' A' ' 41' ' ' VAL . 20.7 tp -63.25 -55.62 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ALA . 17.1 m-70 -59.48 -58.35 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.3 t -43.41 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.74 -54.47 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.86 -32.45 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.0 -56.1 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -52.87 -56.37 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.98 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.6 mt -76.7 148.14 79.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.433 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.03 153.12 41.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.91 -10.96 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.433 ' CE1' ' CB ' ' A' ' 27' ' ' PRO . 4.9 p-80 -79.58 -13.78 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.615 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -65.6 157.6 78.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -68.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.69 3.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.605 ' O ' HG13 ' A' ' 37' ' ' VAL . 42.6 t80 -54.38 -46.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -59.97 -46.86 88.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -56.18 -34.82 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.98 ' OE1' HD22 ' A' ' 26' ' ' LEU . 48.7 mt-10 -72.0 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.44 -24.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.8 -23.77 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.41 -55.65 30.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.49 -31.51 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.0 t -87.23 9.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -38.5 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -132.13 -176.42 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.3 163.7 21.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.492 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 -27.76 9.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.9 -22.59 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.06 -33.28 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.444 ' HB3' HD13 ' A' ' 19' ' ' LEU . 86.3 m -56.18 -26.69 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 32.9 tt0 -80.18 -52.44 7.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -56.83 -39.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.485 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 35.1 m0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.444 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 51.0 p-10 -121.15 159.74 25.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.35 -52.54 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -46.87 -47.35 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.1 mt-10 -70.06 -54.35 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -48.5 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -39.17 -40.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 41' ' ' VAL . 10.4 mtmm -66.81 -49.57 65.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.549 ' HA ' HG21 ' A' ' 41' ' ' VAL . 38.3 tp -57.43 -53.68 55.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.6 m-70 -63.24 -58.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.1 t -41.97 -70.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.668 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.9 -55.56 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 11.2 t80 -50.43 -31.21 14.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.84 -56.11 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -54.12 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.057 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.975 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.5 mt -79.39 141.96 57.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.44 43.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.99 -3.78 53.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 8.58 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.566 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -89.34 167.28 18.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -83.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.86 53.02 3.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.657 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.1 t80 -51.65 -39.62 58.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.6 m95 -65.93 -47.92 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.59 -34.13 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.975 ' OE1' HD22 ' A' ' 26' ' ' LEU . 54.8 mt-10 -71.64 -63.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.668 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 3.2 m -53.21 -24.28 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.33 -24.52 59.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.84 -56.15 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.17 -31.16 60.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.4 t -87.12 9.17 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.4 t -38.69 -28.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.5 mmt180 -132.54 -176.44 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.54 164.01 21.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -29.39 8.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.49 -25.1 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.45 -37.36 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 68.1 m -51.07 -29.7 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 45.3 tt0 -75.74 -57.85 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -50.13 59.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.513 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 37.8 m0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.465 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 17.4 p30 -117.57 162.17 18.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -44.81 -49.78 10.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -48.39 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.2 mt-10 -67.53 -50.42 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -53.07 -69.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.0 pt20 -40.11 -38.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.7 mtmm -67.24 -48.41 67.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HA ' HG21 ' A' ' 41' ' ' VAL . 37.3 tp -59.73 -54.33 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ALA . 16.0 m-70 -61.16 -57.28 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.65 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.4 t -42.65 -70.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.285 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.567 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -48.43 -54.15 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 14.5 t80 -49.62 -31.04 9.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -86.77 -55.38 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -53.18 -54.11 40.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 36' ' ' GLU . 5.7 mt -78.5 146.27 69.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 152.72 40.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.58 -1.15 57.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -87.36 -17.09 33.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.599 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 9.3 mttt -63.15 160.28 41.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -71.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.03 50.19 4.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.706 ' O ' HG13 ' A' ' 37' ' ' VAL . 48.1 t80 -53.12 -39.35 63.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.793 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -65.39 -49.99 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.46 -32.44 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.748 ' HB3' HD13 ' A' ' 26' ' ' LEU . 54.2 mt-10 -73.8 -63.78 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.21 -24.02 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.32 -24.63 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.45 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.79 -30.64 61.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.0 t -87.84 9.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.01 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.72 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.011 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.7 mmt180 -132.24 -176.35 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.75 163.98 20.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.02 -29.96 7.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.0 -25.15 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -83.31 -35.77 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.467 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.6 m -52.49 -30.54 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -75.03 -53.72 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -46.07 76.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -114.31 149.24 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.23 -29.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -62.18 -46.27 89.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.1 mm-40 -72.83 -55.28 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -40.5 -68.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 11.9 pt20 -45.36 -40.54 8.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.4 mtmm -66.16 -37.47 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 49' ' ' CYS . 48.2 tp -70.61 -53.45 15.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -63.26 -53.68 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.9 t -45.84 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.74 -52.29 19.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t80 -50.9 -30.47 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.56 -54.93 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -53.52 -51.66 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.994 HD22 ' OE1' ' A' ' 36' ' ' GLU . 8.3 mt -81.57 147.29 59.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.99 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.72 -6.83 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -84.8 -9.93 57.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.613 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -68.78 162.03 66.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -75.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.37 51.9 4.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.592 ' O ' HG13 ' A' ' 37' ' ' VAL . 45.3 t80 -52.38 -45.62 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.769 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.7 m95 -60.97 -46.77 89.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.52 -35.57 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.994 ' OE1' HD22 ' A' ' 26' ' ' LEU . 28.4 mt-10 -71.3 -63.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.633 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.6 -24.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.24 -22.29 57.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -55.49 28.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.64 -24.78 56.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.677 HG22 ' HB3' ' A' ' 18' ' ' LYS . 83.2 t -94.36 8.87 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.36 -42.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -38.88 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.5 mmt180 -132.21 -176.29 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.72 162.67 24.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.057 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -27.98 9.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.1 -23.19 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -32.92 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.6 m -57.12 -27.02 61.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -78.95 -53.85 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -56.2 -35.06 66.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 14.4 m0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.502 ' O ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -133.15 -170.96 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -50.35 73.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 8.0 mptt -46.78 -46.01 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 44' ' ' ARG . 7.6 mt-10 -77.43 -63.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 12' ' ' ASN . 1.9 mm? -39.79 -66.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 13.0 pt20 -40.37 -46.46 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.58 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.9 mtmm -62.21 -46.33 89.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' HA ' HG21 ' A' ' 41' ' ' VAL . 56.0 tp -60.31 -58.66 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.2 m-70 -57.99 -59.58 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.0 t -42.87 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 108.276 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.557 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.6 -56.36 5.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -48.94 -31.12 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.47 -55.93 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -53.83 -54.74 34.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.002 HD22 ' OE1' ' A' ' 36' ' ' GLU . 9.5 mt -78.0 142.35 64.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.51 42.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.86 -7.48 46.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.14 -6.91 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -76.26 161.9 73.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.07 53.05 3.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.71 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.0 t80 -55.25 -38.96 69.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.583 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -66.0 -49.19 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 108.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.71 -34.73 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.002 ' OE1' HD22 ' A' ' 26' ' ' LEU . 28.5 mt-10 -71.03 -63.99 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.46 -24.93 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.48 -23.75 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.21 -55.23 36.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -76.11 -31.34 58.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 43' ' ' SER . 92.9 t -87.11 9.05 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.37 -41.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.128 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 15.2 p -38.77 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 0.72 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -131.94 -176.28 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.03 162.35 25.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -26.77 10.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -74.73 -22.88 58.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.49 -32.32 20.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 69.1 m -57.17 -27.42 61.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 49.8 tt0 -78.32 -48.97 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -52.66 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 16.6 m0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' GLU . 17.1 p30 -96.54 151.49 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.26 -25.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.44 -43.31 90.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -74.31 -56.34 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.1 mm? -39.82 -66.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 8.0 pt20 -47.51 -40.59 19.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.729 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.9 mtmm -65.22 -48.56 72.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' A' ' 49' ' ' CYS . 24.9 tp -59.07 -55.35 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -60.82 -54.33 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.6 t -47.32 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.79 -52.28 11.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 8.1 t80 -52.11 -31.99 33.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.6 -55.49 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -52.62 58.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 36' ' ' GLU . 9.2 mt -79.41 148.06 69.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.39 35.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.7 -2.64 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.37 -0.01 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -78.88 166.15 44.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -79.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.51 53.56 3.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.688 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.0 t80 -53.28 -41.46 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.88 -48.34 77.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.68 -33.9 61.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 26' ' ' LEU . 19.8 mt-10 -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.57 -24.01 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.93 -22.48 58.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -55.78 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.59 -24.4 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' ' 18' ' ' LYS . 77.8 t -94.68 8.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.5 -41.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -39.36 -28.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.986 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -132.48 -176.29 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.39 162.28 25.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -28.25 9.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.63 -21.56 61.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -87.6 -33.81 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 61.7 m -55.43 -27.87 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 21.0 tt0 -77.79 -55.38 5.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.1 64.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 17.8 m0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' GLU . 15.2 p30 -105.43 153.25 21.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.41 -25.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -63.6 -44.9 92.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -75.28 -56.68 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 11' ' ' TRP . 4.0 mm? -40.15 -67.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 5.6 pt20 -45.51 -40.85 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.591 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.0 mtmm -66.45 -44.9 81.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 23.7 tp -61.74 -54.32 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -62.84 -50.22 71.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.0 t -51.9 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -46.4 -48.68 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 10.5 t80 -53.61 -41.13 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -56.26 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -54.06 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.777 HD13 ' HB3' ' A' ' 36' ' ' GLU . 11.1 mt -76.72 150.18 81.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.05 144.67 30.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.88 -6.99 47.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -90.53 12.71 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' CD ' ' HG2' ' A' ' 27' ' ' PRO . 7.1 mtpp -95.87 162.01 25.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -73.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.93 53.99 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.607 ' O ' HG13 ' A' ' 37' ' ' VAL . 44.8 t80 -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.5 m95 -58.82 -47.48 84.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.3 -35.29 64.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.777 ' HB3' HD13 ' A' ' 26' ' ' LEU . 8.6 mt-10 -72.04 -62.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.724 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.7 m -53.68 -24.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . . . -75.7 -24.6 56.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' SER . 78.9 t -94.01 8.87 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.41 -41.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.22 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mmt180 -133.27 -176.32 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.9 163.2 22.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.546 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.98 -28.37 9.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.75 -22.37 60.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.07 -33.58 19.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.1 m -56.0 -26.83 50.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.0 tt0 -79.46 -54.47 5.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -54.47 -34.33 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.467 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 30.6 m0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 41.0 p-10 -117.12 163.68 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.76 -50.87 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.51 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.489 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 30.6 mt-10 -67.18 -49.34 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 12' ' ' ASN . 3.8 mm? -53.44 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.9 pt20 -39.45 -40.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.732 ' HB3' HG22 ' A' ' 41' ' ' VAL . 16.2 mtmt -63.64 -54.77 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.508 ' HA ' HG21 ' A' ' 41' ' ' VAL . 26.2 tp -55.47 -56.29 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' CYS . 16.3 m-70 -57.9 -59.84 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.634 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 48.5 t -41.28 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.06 -64.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 33' ' ' PHE . 6.8 t80 -41.47 -30.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 21' ' ' CYS . . . -83.56 -56.22 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.2 t -55.25 -54.8 38.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.771 HD22 ' OE1' ' A' ' 36' ' ' GLU . 7.7 mt -79.39 140.6 56.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 157.67 42.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -93.59 -1.66 55.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -84.69 -6.61 59.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -76.76 162.53 70.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.11 50.04 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.721 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.3 t80 -53.56 -36.61 62.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.6 m95 -68.82 -52.58 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -50.89 -33.41 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.771 ' OE1' HD22 ' A' ' 26' ' ' LEU . 96.3 mt-10 -71.32 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.28 -25.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.83 -24.17 59.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.3 -55.55 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.45 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG22 ' HB3' ' A' ' 18' ' ' LYS . 84.6 t -85.44 9.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.03 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -37.94 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.97 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.3 mmt180 -130.95 -176.45 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.31 162.56 24.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.504 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -26.37 11.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.35 -22.74 57.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.68 -33.9 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HB3' HD13 ' A' ' 19' ' ' LEU . 82.1 m -55.41 -27.25 46.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 11.9 tt0 -78.29 -49.39 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.84 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.407 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 16.1 m0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 3.8 p30 -114.77 168.08 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 2.7 tt0 -41.7 -58.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 27.2 mttt -42.94 -50.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 11' ' ' TRP . 35.6 mt-10 -65.52 -52.82 49.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.3 mm? -53.18 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.6 pt20 -43.23 -37.39 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.6 mtmm -69.65 -42.95 73.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.53 ' HA ' HG21 ' A' ' 41' ' ' VAL . 35.8 tp -64.27 -50.06 69.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ALA . 13.1 m-70 -66.66 -56.42 10.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.0 t -44.0 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.0 -54.41 6.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.536 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 4.3 t80 -51.76 -30.55 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.66 -56.17 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -51.99 62.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.3 mt -78.39 151.29 77.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.54 33.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.536 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.72 -0.91 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -99.93 17.58 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 1.5 mttm -93.7 162.88 26.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.48 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 37' ' ' VAL . 47.0 t80 -52.0 -40.82 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.582 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.2 m95 -63.46 -48.87 75.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.18 -32.51 55.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.707 ' HB3' HD13 ' A' ' 26' ' ' LEU . 59.3 mt-10 -73.63 -63.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.41 -23.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.86 -24.0 58.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.2 -55.44 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.72 -32.15 59.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.1 t -86.8 9.23 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.15 -42.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.0 m -38.71 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -131.68 -176.46 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.99 163.67 21.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.494 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -30.83 6.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -70.41 -23.11 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -85.56 -34.43 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.487 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.3 m -54.06 -29.67 45.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 108.337 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -76.03 -50.45 14.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -48.87 78.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.493 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 14.6 m0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 15' ' ' GLU . 53.0 p30 -111.17 155.83 22.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -42.64 -27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' ASN . 10.2 mttt -62.49 -47.27 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.0 mm-40 -75.17 -55.91 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 11' ' ' TRP . 4.1 mm? -39.84 -67.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 22.3 pt20 -45.94 -41.37 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.707 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.0 mtmm -64.9 -50.1 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 49' ' ' CYS . 34.5 tp -57.03 -55.36 35.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -61.35 -57.84 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.62 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 53.7 t -44.56 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -43.95 -55.74 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 3.7 t80 -50.26 -31.35 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -84.5 -55.99 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -54.32 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.006 HD22 ' OE1' ' A' ' 36' ' ' GLU . 12.1 mt -79.85 147.05 65.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -75.02 153.19 41.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -12.77 30.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 13.5 p80 -76.85 -12.12 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.558 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -67.77 158.99 81.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.58 49.73 4.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.611 ' O ' HG13 ' A' ' 37' ' ' VAL . 40.7 t80 -53.04 -47.82 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.568 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.5 m95 -59.49 -46.85 87.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 107.992 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.19 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.006 ' OE1' HD22 ' A' ' 26' ' ' LEU . 38.4 mt-10 -71.91 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.628 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.36 -23.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.68 -24.2 58.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -56.22 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.85 -28.79 60.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 18' ' ' LYS . 83.8 t -89.38 8.99 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.2 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.668 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.15 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.027 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.0 mmt180 -132.88 -176.16 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.35 163.88 20.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.03 -28.31 9.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.66 -23.13 60.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.03 -36.3 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB3' HD13 ' A' ' 19' ' ' LEU . 69.6 m -53.05 -26.68 16.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.295 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.568 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -78.77 -56.33 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -55.04 13.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 26.8 m0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.442 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 46.4 p30 -124.65 153.93 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -37.56 -47.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.6 -51.13 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE2' ' ND2' ' A' ' 12' ' ' ASN . 9.8 mt-10 -63.95 -59.9 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -41.74 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -44.95 -37.78 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.6 mtmm -67.59 -39.53 84.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.636 ' HA ' HG21 ' A' ' 41' ' ' VAL . 32.5 tp -70.23 -53.37 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -61.32 -52.15 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.7 t -46.31 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.63 -51.69 20.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.61 -31.0 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.52 -55.18 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -53.38 51.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 36' ' ' GLU . 5.9 mt -79.51 145.26 63.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.79 41.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.97 -1.02 57.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -89.96 -4.16 57.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 12.8 mttm -76.09 161.61 74.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -72.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.85 49.49 4.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.705 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.4 t80 -51.7 -42.6 62.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.7 m95 -62.2 -54.57 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -49.87 -32.17 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.748 ' HB3' HD13 ' A' ' 26' ' ' LEU . 60.1 mt-10 -73.83 -64.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.6 m -53.71 -24.75 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.74 -23.02 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -61.36 -55.96 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.39 -27.04 58.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.0 t -91.61 9.36 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -21.93 -42.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 11.2 t -38.71 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.3 mmt180 -131.38 -175.77 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.81 162.41 23.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.511 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -24.35 12.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -76.35 -21.6 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -86.75 -36.05 18.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.9 m -53.11 -29.5 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -76.67 -47.67 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -66.79 -48.47 68.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -119.3 159.44 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -47.96 77.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -77.73 -54.7 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.415 HD11 ' HZ1' ' A' ' 52' ' ' LYS . 3.8 mm? -40.71 -66.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 21.3 pt20 -45.82 -41.01 10.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.647 ' HB3' HG22 ' A' ' 41' ' ' VAL . 23.9 mtmt -66.09 -51.65 56.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 49' ' ' CYS . 26.7 tp -55.34 -56.47 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 24' ' ' ALA . 14.3 m-70 -59.28 -59.34 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.8 t -43.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.594 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -44.84 -56.39 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -49.2 -32.8 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -83.25 -56.07 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.81 -54.49 33.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.012 HD22 ' OE1' ' A' ' 36' ' ' GLU . 12.2 mt -81.2 144.1 53.63 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HB2' ' ND1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -74.99 155.93 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.79 -12.76 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.406 ' ND1' ' HB2' ' A' ' 27' ' ' PRO . 12.0 p-80 -75.04 -8.91 57.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -72.09 160.5 82.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -74.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.22 50.83 4.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.634 ' O ' HG13 ' A' ' 37' ' ' VAL . 45.2 t80 -52.13 -45.17 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -61.88 -47.93 82.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -55.02 -35.22 64.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.012 ' OE1' HD22 ' A' ' 26' ' ' LEU . 35.3 mt-10 -72.03 -63.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.2 m -53.04 -23.75 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.58 -25.51 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -58.53 -56.3 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.93 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' ' N ' ' A' ' 43' ' ' SER . 72.4 t -85.91 9.03 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.666 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.27 -28.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.973 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -133.25 -176.44 4.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -94.63 163.79 21.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -27.56 9.84 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.755 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.42 -22.89 60.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 42.0 mt-10 -85.95 -35.25 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.4 m -54.35 -27.57 36.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 108.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 18.2 tt0 -78.98 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -44.89 -43.0 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.8 m0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 36.4 p30 -98.18 150.89 21.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -38.27 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 mtmt -61.21 -56.72 17.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.518 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.8 mm-40 -62.31 -45.08 94.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.14 -69.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.0 pt20 -47.08 -35.78 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.696 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.8 mtmm -66.67 -51.19 58.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 49' ' ' CYS . 20.6 tp -58.98 -53.82 54.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -59.74 -54.81 41.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.579 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.3 t -47.2 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.57 -53.13 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t80 -51.62 -31.26 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -55.51 3.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -51.33 61.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.1 mt -82.31 147.08 55.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 151.41 39.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.85 -1.7 56.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -94.53 12.51 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -91.38 165.38 21.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.52 1.8 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.34 51.02 4.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.701 ' O ' HG13 ' A' ' 37' ' ' VAL . 51.6 t80 -52.96 -36.59 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -67.97 -48.35 66.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.49 -34.97 62.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.695 ' HB3' HD13 ' A' ' 26' ' ' LEU . 67.6 mt-10 -71.3 -64.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.5 m -53.48 -23.96 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.53 -23.23 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -56.14 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.19 -23.83 57.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.696 HG22 ' HB3' ' A' ' 18' ' ' LYS . 75.7 t -94.88 8.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.49 -42.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.57 -28.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.1 mmt180 -132.64 -176.29 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.41 162.36 24.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -28.92 8.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -71.86 -22.63 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -86.6 -35.1 19.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.52 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.9 m -53.79 -27.19 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -78.4 -54.58 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' N ' HE21 ' A' ' 50' ' ' GLN . 2.7 mtp180 -55.86 -40.85 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CE ' ' HB2' ' A' ' 11' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.6 m0 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 157.06 18.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.0 -19.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -72.71 -41.78 64.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 3.2 mm-40 -74.15 -57.71 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.18 -65.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 19.7 pt20 -46.21 -39.77 10.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.683 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.5 mtmt -67.79 -50.98 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' A' ' 41' ' ' VAL . 18.0 tp -55.48 -55.39 32.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -61.1 -56.74 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.3 t -45.89 -70.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.17 -54.53 6.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.491 ' O ' ' CE ' ' A' ' 28' ' ' LYS . 13.4 t80 -50.67 -31.37 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.36 -55.76 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -55.18 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.692 HD13 ' HB3' ' A' ' 36' ' ' GLU . 10.0 mt -75.17 150.11 85.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.2 Cg_endo -75.02 146.52 32.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.6 -1.08 57.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -100.84 18.93 18.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -95.02 167.38 13.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -75.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.79 48.37 3.99 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.587 ' O ' HG13 ' A' ' 37' ' ' VAL . 40.1 t80 -49.64 -44.6 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.576 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 23.7 m95 -60.03 -49.36 77.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -53.6 -35.94 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.692 ' HB3' HD13 ' A' ' 26' ' ' LEU . 51.2 mt-10 -70.3 -63.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.68 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.65 -24.42 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.08 -22.43 58.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -61.91 -55.88 25.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.95 -26.19 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 18' ' ' LYS . 92.9 t -93.03 8.95 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.9 -28.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 0.79 . . . . 0.0 110.019 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.7 mmt180 -131.8 -176.52 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -95.1 162.79 23.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -25.38 11.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.25 -21.65 58.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 53.0 mt-10 -86.31 -35.22 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 85.5 m -53.63 -29.58 38.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -76.08 -55.89 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -45.84 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.4 m0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' GLU . 20.6 p30 -97.05 152.53 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' ASN . 1.9 mp0 -37.05 -41.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 11.9 mttp -53.93 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.45 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 5.0 mm-40 -47.14 -36.05 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.8 mm? -61.97 -69.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.5 pt20 -44.04 -33.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.644 ' CB ' HG22 ' A' ' 41' ' ' VAL . 7.8 mttp -66.64 -56.88 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 49' ' ' CYS . 26.2 tp -54.09 -50.91 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -61.88 -58.59 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.552 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 50.3 t -46.14 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -44.42 -54.47 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 34.2 t80 -52.15 -28.75 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -87.0 -55.88 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.0 m -55.31 -52.71 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 36' ' ' GLU . 4.3 mt -81.41 148.33 62.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.469 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.01 153.11 41.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.88 -1.08 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -101.47 18.05 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 1.9 mttm -91.48 167.34 15.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.427 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 -79.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.37 49.06 3.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 53.8 t80 -51.27 -39.8 57.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 24.8 m95 -66.73 -46.21 76.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.45 -34.23 66.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.682 ' HB3' HD13 ' A' ' 26' ' ' LEU . 54.5 mt-10 -71.85 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.61 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 7.1 m -53.48 -23.26 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.13 -22.85 57.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.95 -56.4 19.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.57 58.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.7 t -95.29 8.68 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.16 -42.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.656 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.16 -28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.9 mmt180 -132.1 -176.16 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.46 162.91 22.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.97 -27.71 9.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -72.47 -23.39 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -85.68 -34.08 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.526 ' HB3' HD13 ' A' ' 19' ' ' LEU . 61.3 m -54.73 -27.91 44.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 46.2 tt0 -77.17 -51.39 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -44.38 83.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.5 m -76.85 163.87 26.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -177.31 169.94 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.81 159.59 8.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -139.16 115.53 10.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.3 p -136.52 123.49 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.9 60.75 0.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 10' ' ' GLU . 7.2 t0 -176.63 101.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 97.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ASP . 2.3 mt-10 -157.76 168.27 27.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.419 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 22.2 m0 -100.53 -179.27 4.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 107.962 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 56.0 p30 -123.3 157.09 34.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -38.52 -53.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -44.44 -46.23 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.182 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 9.7 mt-10 -71.29 -57.02 4.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -46.4 -66.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.3 pt20 -43.83 -40.19 4.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 8.5 mtmm -67.84 -39.83 83.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.536 ' HA ' HG21 ' A' ' 41' ' ' VAL . 52.0 tp -67.06 -51.97 47.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.7 m-70 -65.49 -54.61 25.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.5 t -44.08 -70.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 108.3 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -48.32 -52.72 20.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.447 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 13.3 t80 -50.66 -30.18 12.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -88.51 -54.84 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 m -52.37 -53.09 49.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.027 HD22 ' OE1' ' A' ' 36' ' ' GLU . 8.2 mt -82.39 147.41 56.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.229 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.562 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.09 153.09 41.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.77 -5.0 52.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 11.0 p80 -84.56 -10.17 57.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.587 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -69.25 161.75 70.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -74.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.424 1.749 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.05 51.24 4.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.729 ' O ' HG13 ' A' ' 37' ' ' VAL . 48.6 t80 -53.54 -41.05 66.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.3 m95 -64.23 -50.28 68.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.29 -33.87 55.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.027 ' OE1' HD22 ' A' ' 26' ' ' LEU . 34.6 mt-10 -73.31 -64.23 1.02 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.259 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.0 -24.23 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.04 -25.18 59.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.421 1.076 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.37 -56.08 26.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.0 -29.45 60.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 84.1 t -88.38 9.13 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.24 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 4.9 p -38.76 -29.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 0.792 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.4 mmt180 -132.91 -176.46 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.5 163.58 22.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.01 -27.57 9.88 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -74.64 -22.99 58.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -86.14 -32.28 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.418 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 85.2 m -57.41 -27.65 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 108.301 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 1.8 tt0 -78.17 -52.52 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -38.36 71.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -66.73 -60.3 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -51.1 -48.54 61.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.6 mtt -43.9 -39.34 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -74.68 -44.74 48.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -122.59 77.02 46.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.68 -45.6 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.21 -122.8 2.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.12 -156.98 23.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -153.8 126.38 8.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 0.785 . . . . 0.0 110.018 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.85 145.07 38.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.1 126.71 17.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -101.85 -63.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.6 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.0 m -96.21 155.44 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 67' ' ' THR . 7.5 m 42.75 72.63 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -57.17 155.68 8.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.008 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -59.84 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.949 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.84 7.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.9 p -107.69 139.13 42.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 m -135.54 -57.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -171.32 113.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -47.71 -58.27 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.55 158.12 8.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.13 132.71 2.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 p -68.71 114.96 7.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.024 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.43 126.11 1.14 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.65 144.86 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -128.68 56.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -110.05 157.04 19.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.249 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 20.2 m0 -94.16 175.53 6.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 108.024 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 44.8 p-10 -115.28 155.03 28.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -38.15 -50.54 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 14.8 mmtt -47.86 -50.01 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 12.7 mt-10 -64.65 -53.65 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.9 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 6.1 pt20 -42.73 -37.14 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.61 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.2 mtmt -67.12 -44.66 79.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HA ' HG21 ' A' ' 41' ' ' VAL . 39.7 tp -64.33 -53.78 43.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -61.12 -54.6 42.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.598 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 40.5 t -45.32 -70.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 108.261 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.658 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.54 -53.24 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 15.2 t80 -50.39 -30.67 12.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.5 -55.17 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.07 -56.06 16.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.72 HD13 ' HB3' ' A' ' 36' ' ' GLU . 4.6 mt -77.67 150.46 79.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.4 Cg_endo -74.99 150.22 37.86 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.511 1.796 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.62 -1.21 57.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -98.53 16.1 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -91.86 165.76 19.57 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -74.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.455 1.766 . . . . 0.0 110.97 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -83.23 47.43 3.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.665 ' O ' HG13 ' A' ' 37' ' ' VAL . 47.3 t80 -50.31 -39.81 46.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -65.24 -49.2 70.53 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.67 -35.4 61.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.72 ' HB3' HD13 ' A' ' 26' ' ' LEU . 61.2 mt-10 -70.49 -64.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.665 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.2 m -52.98 -25.3 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.542 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.63 -25.1 60.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.04 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.4 -32.22 60.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.8 t -85.72 9.22 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.43 -41.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 12.8 p -38.57 -28.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 0.784 . . . . 0.0 110.023 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.48 -176.46 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 162.81 24.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.542 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 -26.47 10.93 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.522 1.801 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.83 -22.52 56.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -86.96 -31.67 20.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HB3' HD13 ' A' ' 19' ' ' LEU . 83.9 m -57.74 -27.47 63.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 17.0 tt0 -77.2 -47.23 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -52.98 62.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.432 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.3 OUTLIER -55.09 -66.9 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -41.52 -52.9 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.411 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 7.6 mmm -53.34 -40.59 64.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.31 -41.38 85.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -126.99 76.41 75.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -58.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -151.55 86.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.11 99.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.3 133.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.66 129.41 3.42 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -109.27 -58.22 2.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 66.57 135.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt 60.51 104.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.35 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.57 118.01 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.579 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.8 t 58.05 101.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.15 121.48 6.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.79 84.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -141.11 79.37 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.24 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.12 168.29 19.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.26 165.87 26.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p 179.41 141.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 110.027 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -116.02 127.25 54.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.95 167.57 9.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.71 -57.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -124.37 163.36 21.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.979 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.82 -71.3 0.96 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -168.5 87.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -165.32 57.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -125.03 167.43 14.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.426 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 22.5 m0 -89.48 177.14 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.472 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.1 p30 -117.67 155.46 29.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' ASN . 2.5 tt0 -38.1 -51.06 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.78 -49.34 28.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 13.5 mt-10 -65.28 -54.21 32.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -48.89 -68.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.6 pt20 -44.17 -38.47 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.1 mttm -67.06 -40.61 87.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.577 ' HA ' HG21 ' A' ' 41' ' ' VAL . 36.4 tp -68.34 -53.3 25.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -62.05 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.62 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 46.0 t -47.67 -70.8 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.66 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.12 -51.33 18.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.414 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 14.3 t80 -51.88 -34.04 39.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.03 -55.64 4.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 -56.88 11.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.041 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.959 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.4 mt -76.18 146.71 78.78 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.28 40.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.66 -5.41 51.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -86.21 -3.59 59.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.559 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 5.1 mttm -76.13 160.92 77.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.94 49.46 4.09 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.708 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.5 t80 -52.48 -41.39 63.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.583 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.76 -50.62 68.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 107.989 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -52.74 -33.91 50.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.959 ' OE1' HD22 ' A' ' 26' ' ' LEU . 49.0 mt-10 -72.8 -64.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.708 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.8 m -53.01 -24.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.99 -25.08 59.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.16 -56.09 26.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.08 -30.91 61.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.675 ' O ' ' N ' ' A' ' 43' ' ' SER . 85.4 t -87.02 9.0 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.29 -42.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.028 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.675 ' N ' ' O ' ' A' ' 41' ' ' VAL . 29.6 t -38.92 -28.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.5 mmt180 -132.73 -176.47 4.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.06 163.17 22.62 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -28.76 8.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.53 -20.55 60.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.11 -31.78 17.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' HB3' HD13 ' A' ' 19' ' ' LEU . 84.2 m -58.04 -26.33 62.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.339 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -79.18 -43.72 23.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -64.8 -55.04 22.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.22 -66.6 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -42.79 -57.42 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 17.6 mmm -49.21 -42.97 42.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.66 -42.46 95.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -126.61 76.17 74.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.26 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 45.63 86.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.341 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -158.78 -78.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.19 113.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.03 -154.89 26.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.4 m 61.54 144.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 0.77 . . . . 0.0 109.99 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -164.13 140.71 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -177.17 169.55 2.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.64 134.03 35.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.622 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -53.29 148.96 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -138.63 153.29 48.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.8 t 62.54 164.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 160.64 74.86 0.02 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -52.62 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.534 1.807 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 t 66.32 153.88 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.019 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.1 m 64.29 124.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t 59.56 107.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t 60.7 167.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.017 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.44 -145.67 14.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -114.24 90.13 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.0 t 50.41 97.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.44 -154.22 25.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.61 135.85 57.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.59 125.58 38.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -137.93 158.78 43.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 23.9 m0 -97.89 178.93 4.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.507 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 40.5 p-10 -115.53 156.1 26.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -37.68 -54.58 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 1.4 mtmt -46.17 -49.91 16.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 34.9 mt-10 -66.09 -43.5 87.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 3.9 mm? -60.98 -67.71 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 10.8 pt20 -40.79 -38.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' CD ' ' O ' ' A' ' 40' ' ' ALA . 10.1 mttm -67.32 -47.93 69.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' HA ' HG21 ' A' ' 41' ' ' VAL . 20.6 tp -59.93 -54.81 41.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -60.81 -55.13 36.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.621 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.1 t -46.21 -70.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 108.259 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -46.23 -52.97 11.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 15.1 t80 -51.35 -30.99 20.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.83 -55.49 3.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -53.19 -52.04 60.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.95 HD22 ' OE1' ' A' ' 36' ' ' GLU . 5.7 mt -81.17 147.01 59.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 152.31 40.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -0.64 57.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -90.48 -12.57 36.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -65.99 162.39 46.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -75.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.95 51.33 4.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.705 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.5 t80 -53.35 -40.33 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.576 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -64.66 -48.63 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.31 -34.85 61.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.95 ' OE1' HD22 ' A' ' 26' ' ' LEU . 50.8 mt-10 -71.97 -63.9 1.04 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.03 -24.43 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.541 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.01 -24.9 59.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.64 -56.28 23.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.97 -29.9 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.5 t -88.1 9.09 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.555 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.11 -42.51 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.4 OUTLIER -38.73 -29.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.965 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.0 mmt180 -132.58 -176.54 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.55 163.81 21.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.04 -28.01 9.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.08 -23.86 59.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.06 -33.28 22.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 82.6 m -55.54 -29.27 58.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 108.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 33.9 tt0 -75.52 -49.74 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.46 -45.39 91.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.462 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -59.47 -58.75 7.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -52.56 -47.89 66.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 mtt -47.02 -44.53 20.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.2 -46.49 70.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -124.08 77.01 59.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -51.92 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.27 -51.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.3 -159.08 2.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.547 1.154 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -175.05 128.77 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.04 72.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.16 169.57 23.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 109.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 68.62 153.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.56 168.48 24.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.61 144.65 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG13 ' HB2' ' A' ' 68' ' ' SER . 4.1 p -43.68 149.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.1 t -74.53 62.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.417 ' HB2' HG13 ' A' ' 66' ' ' VAL . 6.6 t -118.73 110.03 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.44 158.28 0.9 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -65.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.464 1.771 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.23 75.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.0 p -146.72 165.79 28.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -96.52 167.24 11.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -144.94 114.87 7.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 110.014 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.94 97.71 2.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -173.44 90.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 0.779 . . . . 0.0 109.938 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.29 104.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.047 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.01 69.28 0.84 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.66 152.08 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.259 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -107.65 124.13 49.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -152.06 171.01 18.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.43 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 32.4 m0 -88.59 -175.03 4.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.008 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' GLU . 47.5 p-10 -127.74 157.32 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -38.31 -55.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -43.99 -46.22 8.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' ASN . 10.7 mt-10 -70.53 -57.48 4.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -47.65 -69.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 13.9 pt20 -38.75 -41.41 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.579 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.7 mtmt -66.07 -49.68 66.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 59.2 tp -56.44 -55.92 27.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.7 m-70 -61.39 -57.3 12.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.584 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 36.5 t -42.41 -70.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 108.262 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -49.9 -54.82 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.08 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.509 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 35.7 t80 -47.29 -30.25 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -87.57 -55.13 3.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -56.26 18.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.685 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.5 mt -75.37 144.04 77.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.29 40.74 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.75 -1.12 57.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -92.79 10.24 31.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.58 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -90.45 164.02 28.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -76.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.447 1.762 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.39 50.79 4.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.717 ' O ' HG13 ' A' ' 37' ' ' VAL . 52.9 t80 -52.49 -37.23 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 0.745 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.4 m95 -67.18 -51.76 49.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -51.27 -32.96 26.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.685 ' HB3' HD13 ' A' ' 26' ' ' LEU . 63.2 mt-10 -72.76 -64.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.22 -23.93 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.62 -25.11 59.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.2 -55.81 30.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.54 -32.1 60.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.5 t -85.54 9.01 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.14 -42.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.135 . . . . 0.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.18 -28.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.736 . . . . 0.0 109.991 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -132.39 -176.22 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.4 163.21 22.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.0 -28.01 9.53 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -73.03 -23.41 60.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -85.45 -36.01 20.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.6 m -53.25 -28.03 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.31 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 2.6 tt0 -77.7 -48.93 15.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.31 -54.0 50.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.63 -67.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.509 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 43.6 t80 -41.58 -58.1 2.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 mmm -49.39 -39.92 34.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.91 -41.57 74.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -126.54 75.33 74.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -63.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.425 1.75 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.2 -61.69 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -150.55 150.24 22.22 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.81 158.64 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.65 -146.94 4.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.66 151.66 39.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 64.11 97.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.52 162.33 35.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -170.58 149.36 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.586 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.38 131.13 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 67' ' ' THR . 8.8 t -165.74 116.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 t -107.43 145.56 32.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.54 89.56 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.39 14.58 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 t -115.17 144.71 43.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.37 163.44 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -63.42 -58.49 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.776 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -91.99 -58.09 2.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.987 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.69 -143.94 17.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -127.02 79.91 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -133.34 98.2 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 110.003 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.26 89.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.98 135.1 57.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.85 55.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -132.64 148.83 52.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.107 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -94.6 176.38 6.31 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.486 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 49.6 p-10 -119.06 157.43 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -38.97 -52.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -47.31 -46.28 24.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 11.4 mt-10 -69.78 -53.2 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -49.29 -68.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 17.2 pt20 -41.72 -40.96 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.581 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.1 mtmm -63.67 -45.31 90.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.526 ' HA ' HG21 ' A' ' 41' ' ' VAL . 20.7 tp -63.25 -55.62 23.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' ALA . 17.1 m-70 -59.48 -58.35 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.3 t -43.41 -70.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.74 -54.47 7.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -50.86 -32.45 20.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.0 -56.1 3.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.6 t -52.87 -56.37 16.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.98 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.6 mt -76.7 148.14 79.12 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.433 ' CB ' ' CE1' ' A' ' 29' ' ' HIS . 18.2 Cg_endo -75.03 153.12 41.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.91 -10.96 34.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.433 ' CE1' ' CB ' ' A' ' 27' ' ' PRO . 4.9 p-80 -79.58 -13.78 59.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.615 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -65.6 157.6 78.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -68.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 111.023 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.88 48.69 3.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.605 ' O ' HG13 ' A' ' 37' ' ' VAL . 42.6 t80 -54.38 -46.84 73.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -59.97 -46.86 88.08 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -56.18 -34.82 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.98 ' OE1' HD22 ' A' ' 26' ' ' LEU . 48.7 mt-10 -72.0 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.44 -24.18 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.8 -23.77 58.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.41 -55.65 30.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.49 -31.51 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 99.0 t -87.23 9.36 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -38.5 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.015 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -132.13 -176.42 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.3 163.7 21.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.492 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.03 -27.76 9.69 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.957 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.9 -22.59 59.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.06 -33.28 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.444 ' HB3' HD13 ' A' ' 19' ' ' LEU . 86.3 m -56.18 -26.69 51.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 108.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 32.9 tt0 -80.18 -52.44 7.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -56.83 -39.15 73.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -58.76 5.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 57' ' ' PRO . 11.3 t80 -52.71 -52.82 54.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.9 mtt -40.27 -44.75 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -67.16 -47.97 69.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -122.28 77.4 43.74 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HA ' ' CE1' ' A' ' 53' ' ' TYR . 18.3 Cg_endo -75.0 -162.97 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.31 86.27 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.7 82.24 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -141.13 -62.32 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.257 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.47 -152.87 19.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.563 1.164 . . . . 0.0 111.045 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.19 153.1 23.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 0.761 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -130.39 -58.98 1.04 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.46 165.74 19.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.3 65.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.5 t -55.89 124.17 8.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 t -120.23 124.84 46.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.5 m 55.47 167.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.44 -83.48 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -55.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.6 p -66.04 131.46 46.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -168.65 134.85 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.07 148.6 46.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 0.715 . . . . 0.0 110.068 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -138.42 94.83 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.969 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.45 103.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -62.7 123.54 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -74.33 98.96 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 109.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.72 159.41 31.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.76 94.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.83 112.73 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -162.09 162.02 28.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 35.1 m0 -103.0 -177.52 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 51.0 p-10 -121.15 159.74 25.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.35 -52.54 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -46.87 -47.35 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.1 mt-10 -70.06 -54.35 13.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.2 mm? -48.5 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -39.17 -40.34 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 41' ' ' VAL . 10.4 mtmm -66.81 -49.57 65.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' HA ' HG21 ' A' ' 41' ' ' VAL . 38.3 tp -57.43 -53.68 55.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 24' ' ' ALA . 15.6 m-70 -63.24 -58.33 7.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.613 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.1 t -41.97 -70.62 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.668 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.9 -55.56 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.541 ' CZ ' ' HE2' ' A' ' 28' ' ' LYS . 11.2 t80 -50.43 -31.21 14.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -84.84 -56.11 3.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -54.12 42.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.057 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.975 HD22 ' OE1' ' A' ' 36' ' ' GLU . 6.5 mt -79.39 141.96 57.76 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.44 43.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.99 -3.78 53.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -88.61 8.58 27.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.566 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -89.34 167.28 18.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -83.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.86 53.02 3.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.657 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.1 t80 -51.65 -39.62 58.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.6 m95 -65.93 -47.92 73.08 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.59 -34.13 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.975 ' OE1' HD22 ' A' ' 26' ' ' LEU . 54.8 mt-10 -71.64 -63.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.668 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 3.2 m -53.21 -24.28 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.33 -24.52 59.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -59.84 -56.15 25.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.17 -31.16 60.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.672 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.4 t -87.12 9.17 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.672 ' N ' ' O ' ' A' ' 41' ' ' VAL . 1.4 t -38.69 -28.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.007 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.5 mmt180 -132.54 -176.44 4.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.54 164.01 21.11 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.04 -29.39 8.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.54 1.811 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -71.49 -25.1 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -83.45 -37.36 23.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 68.1 m -51.07 -29.7 13.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 45.3 tt0 -75.74 -57.85 3.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -50.13 59.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.243 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -54.29 -64.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -41.73 -56.2 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.2 mtp -40.84 -46.14 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -64.01 -47.35 80.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -126.62 76.19 74.41 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -55.66 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.489 1.783 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.4 100.87 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.1 -173.71 25.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 167.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -104.99 -119.6 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 t -118.96 94.12 4.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.84 157.57 15.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? 58.47 69.37 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -171.9 -61.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.626 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.36 151.35 3.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.8 p -57.15 152.7 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' GLY . 44.5 m -62.88 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' SER . . . -37.09 98.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 103.49 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m 63.16 106.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.5 p -72.3 125.35 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.033 179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.23 78.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 109.966 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m 62.65 112.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.66 -175.03 1.79 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.96 82.25 5.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.967 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 t -153.69 90.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.14 -156.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.113 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.88 176.33 9.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -155.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.17 171.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.513 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 37.8 m0 -85.79 -177.61 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 107.983 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.465 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 17.4 p30 -117.57 162.17 18.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -44.81 -49.78 10.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -48.39 52.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 24.2 mt-10 -67.53 -50.42 58.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -53.07 -69.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.0 pt20 -40.11 -38.92 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.7 mtmm -67.24 -48.41 67.89 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HA ' HG21 ' A' ' 41' ' ' VAL . 37.3 tp -59.73 -54.33 47.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 24' ' ' ALA . 16.0 m-70 -61.16 -57.28 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.65 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.4 t -42.65 -70.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 108.285 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.567 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -48.43 -54.15 15.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.428 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 14.5 t80 -49.62 -31.04 9.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -86.77 -55.38 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.9 t -53.18 -54.11 40.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 36' ' ' GLU . 5.7 mt -78.5 146.27 69.44 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 152.72 40.97 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.425 1.75 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.58 -1.15 57.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -87.36 -17.09 33.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 109.599 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 9.3 mttt -63.15 160.28 41.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -71.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.481 1.78 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.03 50.19 4.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.706 ' O ' HG13 ' A' ' 37' ' ' VAL . 48.1 t80 -53.12 -39.35 63.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 0.793 . . . . 0.0 111.054 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.57 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -65.39 -49.99 67.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 107.978 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.46 -32.44 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.748 ' HB3' HD13 ' A' ' 26' ' ' LEU . 54.2 mt-10 -73.8 -63.78 1.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.706 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.21 -24.02 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.516 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.32 -24.63 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.45 21.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.79 -30.64 61.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 97.0 t -87.84 9.16 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.554 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.01 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.72 -29.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.011 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.7 mmt180 -132.24 -176.35 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.75 163.98 20.92 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.516 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.02 -29.96 7.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -71.0 -25.15 62.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.237 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -83.31 -35.77 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.467 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.6 m -52.49 -30.54 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 108.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.57 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.6 OUTLIER -75.03 -53.72 8.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.49 -46.07 76.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -58.57 -65.76 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.428 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 28.9 t80 -42.21 -53.81 3.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.7 mtp -40.32 -43.56 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.22 -48.23 74.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -123.55 76.6 54.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.45 -51.36 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.09 -160.94 32.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.71 169.15 10.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.736 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.31 -90.5 1.49 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 p 61.56 69.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.007 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.31 154.87 19.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.39 152.44 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.71 125.6 17.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.6 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.5 t -89.87 120.61 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 m -151.29 139.34 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -117.55 -59.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.59 176.84 50.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 130.48 13.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 m -97.58 -58.71 1.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.98 -58.55 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.533 1.146 . . . . 0.0 111.021 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.6 153.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t 62.71 111.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.66 -97.63 0.17 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.1 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -106.74 88.09 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 110.046 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p 41.21 77.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.67 84.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.28 164.94 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.0 29.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -96.1 165.2 12.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 -107.62 177.0 4.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -114.31 149.24 36.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.23 -29.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -62.18 -46.27 89.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.1 mm-40 -72.83 -55.28 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.1 mm? -40.5 -68.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 11.9 pt20 -45.36 -40.54 8.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.677 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.4 mtmm -66.16 -37.47 85.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 49' ' ' CYS . 48.2 tp -70.61 -53.45 15.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -63.26 -53.68 49.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.9 t -45.84 -70.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 108.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.633 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.74 -52.29 19.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t80 -50.9 -30.47 14.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.56 -54.93 3.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -53.52 -51.66 62.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.994 HD22 ' OE1' ' A' ' 36' ' ' GLU . 8.3 mt -81.57 147.29 59.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.99 40.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.72 -6.83 48.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -84.8 -9.93 57.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.613 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -68.78 162.03 66.92 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -75.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.37 51.9 4.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.592 ' O ' HG13 ' A' ' 37' ' ' VAL . 45.3 t80 -52.38 -45.62 65.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.769 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.7 m95 -60.97 -46.77 89.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.113 . . . . 0.0 108.02 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.52 -35.57 65.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.994 ' OE1' HD22 ' A' ' 26' ' ' LEU . 28.4 mt-10 -71.3 -63.36 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.633 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.6 -24.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.24 -22.29 57.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -55.49 28.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.64 -24.78 56.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.677 HG22 ' HB3' ' A' ' 18' ' ' LYS . 83.2 t -94.36 8.87 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.36 -42.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.8 OUTLIER -38.88 -28.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.022 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 42' ' ' GLY . 7.5 mmt180 -132.21 -176.29 4.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.72 162.67 24.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.057 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.5 Cg_endo -74.96 -27.98 9.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -73.1 -23.19 60.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -32.92 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.502 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.6 m -57.12 -27.02 61.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -78.95 -53.85 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -56.2 -35.06 66.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -59.33 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -52.83 -51.54 60.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.7 mtt -42.93 -43.27 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.22 -51.2 59.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -124.37 76.9 61.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.52 1.8 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.11 87.64 3.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.53 -96.24 0.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.12 170.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.27 -71.79 0.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 p -58.13 167.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.85 141.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -132.98 172.08 13.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 66' ' ' VAL . 18.7 p80 -78.54 -56.11 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 65' ' ' HIS . 93.3 t 63.56 128.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 p -99.72 163.52 12.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 97.8 p -53.46 134.18 40.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.37 68.37 0.06 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.94 42.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.62 159.83 40.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.017 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.6 p -80.05 133.42 36.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.961 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -159.63 162.47 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -58.52 7.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.14 133.93 11.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.456 1.097 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -46.3 130.88 10.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.87 137.77 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.951 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.65 90.16 0.53 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 58.96 102.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -125.79 129.53 49.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 48.12 -176.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 14.4 m0 -95.47 -176.2 3.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 108.03 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' O ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -133.15 -170.96 2.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.01 -50.35 73.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 8.0 mptt -46.78 -46.01 20.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 44' ' ' ARG . 7.6 mt-10 -77.43 -63.64 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 12' ' ' ASN . 1.9 mm? -39.79 -66.11 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 18' ' ' LYS . 13.0 pt20 -40.37 -46.46 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.58 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.9 mtmm -62.21 -46.33 89.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' HA ' HG21 ' A' ' 41' ' ' VAL . 56.0 tp -60.31 -58.66 7.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' ALA . 19.2 m-70 -57.99 -59.58 5.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.595 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 44.0 t -42.87 -70.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 108.276 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.557 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.6 -56.36 5.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -48.94 -31.12 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.47 -55.93 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -53.83 -54.74 34.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.002 HD22 ' OE1' ' A' ' 36' ' ' GLU . 9.5 mt -78.0 142.35 64.37 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.51 42.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.86 -7.48 46.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.14 -6.91 58.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -76.26 161.9 73.26 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -76.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.07 53.05 3.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.71 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.0 t80 -55.25 -38.96 69.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.583 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 26.1 m95 -66.0 -49.19 68.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 108.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -53.71 -34.73 59.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.002 ' OE1' HD22 ' A' ' 26' ' ' LEU . 28.5 mt-10 -71.03 -63.99 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.46 -24.93 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.48 -23.75 58.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.21 -55.23 36.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -76.11 -31.34 58.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.67 ' O ' ' N ' ' A' ' 43' ' ' SER . 92.9 t -87.11 9.05 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.37 -41.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.128 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 15.2 p -38.77 -28.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 0.72 . . . . 0.0 109.973 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.4 mmt180 -131.94 -176.28 4.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.03 162.35 25.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -26.77 10.72 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -74.73 -22.88 58.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.49 -32.32 20.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 69.1 m -57.17 -27.42 61.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.583 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 49.8 tt0 -78.32 -48.97 14.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -52.66 64.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -67.76 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -38.66 -57.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -43.41 47.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.14 -44.73 87.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -125.35 76.82 68.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -131.97 -56.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.66 -178.36 36.68 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 175.24 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 0.746 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 130.54 55.87 0.09 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.0 p -176.69 105.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.02 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -162.47 -61.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -116.13 167.42 11.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.89 173.93 11.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.613 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.0 p -42.36 136.93 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 m -122.24 119.01 29.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 110.418 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.7 m -79.31 173.78 12.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.001 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.3 160.8 28.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -177.47 3.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.5 145.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.4 163.92 31.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 m -102.08 116.7 33.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -76.62 -54.63 6.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.09 -155.4 6.81 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.534 1.146 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m 61.18 119.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.789 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -154.96 173.83 16.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.45 110.38 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.08 85.49 2.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -135.7 90.04 2.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -153.77 -178.53 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 16.6 m0 -101.62 155.97 17.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 15' ' ' GLU . 17.1 p30 -96.54 151.49 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.26 -25.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.44 -43.31 90.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.468 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -74.31 -56.34 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLU . 4.1 mm? -39.82 -66.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 8.0 pt20 -47.51 -40.59 19.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.729 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.9 mtmm -65.22 -48.56 72.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' A' ' 49' ' ' CYS . 24.9 tp -59.07 -55.35 36.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -60.82 -54.33 46.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.629 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.6 t -47.32 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.687 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.79 -52.28 11.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 8.1 t80 -52.11 -31.99 33.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.6 -55.49 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -52.62 58.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 36' ' ' GLU . 9.2 mt -79.41 148.06 69.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 148.39 35.08 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.7 -2.64 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -92.37 -0.01 57.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -78.88 166.15 44.35 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -79.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.51 53.56 3.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.688 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.0 t80 -53.28 -41.46 65.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 0.751 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.9 m95 -63.88 -48.34 77.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.68 -33.9 61.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 26' ' ' LEU . 19.8 mt-10 -72.9 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.688 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.57 -24.01 8.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.93 -22.48 58.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.99 -55.78 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.59 -24.4 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' ' 18' ' ' LYS . 77.8 t -94.68 8.87 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.5 -41.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -39.36 -28.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.986 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' C ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -132.48 -176.29 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.39 162.28 25.11 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.55 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.95 -28.25 9.42 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -72.63 -21.56 61.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -87.6 -33.81 18.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 61.7 m -55.43 -27.87 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 108.319 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 21.0 tt0 -77.79 -55.38 5.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -43.1 64.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -61.74 -61.64 2.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.413 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 23.0 t80 -48.5 -51.4 27.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.0 mtt -43.82 -44.1 6.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -68.91 -50.73 47.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -123.75 77.18 56.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -50.69 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.58 90.81 1.34 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -155.22 -146.38 4.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.47 159.09 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.9 107.12 1.09 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.122 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.9 t -138.04 92.23 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 0.723 . . . . 0.0 110.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -112.58 98.36 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.19 172.37 15.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -95.32 123.04 38.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 66' ' ' VAL . 2.8 m -54.54 133.25 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.2 t -122.11 135.74 54.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -108.16 165.01 11.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -173.92 94.15 0.1 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.1 11.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.485 1.782 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.76 145.31 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -91.52 160.47 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.987 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -116.74 -59.01 2.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.41 130.34 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.53 -168.88 25.11 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.11 98.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 0.781 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m 54.59 96.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.13 157.46 27.87 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.35 -176.76 5.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 0.762 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -159.91 0.05 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 58.08 174.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.25 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.459 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 17.8 m0 -85.67 160.93 19.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' GLU . 15.2 p30 -105.43 153.25 21.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.41 -25.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -63.6 -44.9 92.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.4 mm-40 -75.28 -56.68 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 11' ' ' TRP . 4.0 mm? -40.15 -67.02 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.103 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 5.6 pt20 -45.51 -40.85 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.591 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.0 mtmm -66.45 -44.9 81.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 23' ' ' PHE . 23.7 tp -61.74 -54.32 44.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -62.84 -50.22 71.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.597 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.0 t -51.9 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -46.4 -48.68 18.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 10.5 t80 -53.61 -41.13 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.7 -56.26 4.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.07 -54.06 28.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.777 HD13 ' HB3' ' A' ' 36' ' ' GLU . 11.1 mt -76.72 150.18 81.48 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG2' ' CD ' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.05 144.67 30.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.508 1.794 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.88 -6.99 47.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -90.53 12.71 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' CD ' ' HG2' ' A' ' 27' ' ' PRO . 7.1 mtpp -95.87 162.01 25.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -73.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.93 53.99 3.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.607 ' O ' HG13 ' A' ' 37' ' ' VAL . 44.8 t80 -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.5 m95 -58.82 -47.48 84.66 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -55.3 -35.29 64.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.777 ' HB3' HD13 ' A' ' 26' ' ' LEU . 8.6 mt-10 -72.04 -62.87 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.724 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.7 m -53.68 -24.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.5 -23.04 58.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.55 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . . . -75.7 -24.6 56.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.665 ' O ' ' N ' ' A' ' 43' ' ' SER . 78.9 t -94.01 8.87 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.41 -41.95 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.665 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.22 -28.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.991 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 8.3 mmt180 -133.27 -176.32 4.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.9 163.2 22.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.546 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.98 -28.37 9.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.75 -22.37 60.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -87.07 -33.58 19.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 68.1 m -56.0 -26.83 50.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.0 tt0 -79.46 -54.47 5.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -54.47 -34.33 61.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.37 -62.08 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -52.05 -38.98 58.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.8 mtt -55.83 -45.86 78.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.5 -48.39 72.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -122.53 77.16 46.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -164.1 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 39.3 ptt85 -90.54 138.36 31.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.29 157.05 0.29 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.97 89.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.63 147.86 6.55 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.6 -66.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.983 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -171.73 160.04 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -175.65 152.43 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 57.37 93.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.588 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -55.68 -61.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 t -138.08 150.55 46.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.5 t -131.74 -54.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -136.96 159.13 24.51 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 175.01 11.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 t -69.51 141.55 53.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.43 157.37 16.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -81.3 -58.54 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 0.723 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.57 -58.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.04 -74.12 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 m 58.7 102.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 0.764 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t 58.32 164.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.23 56.36 2.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.21 142.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.5 32.17 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -48.43 158.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.467 ' CE2' ' HD2' ' A' ' 44' ' ' ARG . 30.6 m0 -97.87 -176.12 3.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.489 ' OD1' ' CG ' ' A' ' 15' ' ' GLU . 41.0 p-10 -117.12 163.68 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.76 -50.87 13.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.51 41.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.489 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 30.6 mt-10 -67.18 -49.34 65.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD23 ' C ' ' A' ' 12' ' ' ASN . 3.8 mm? -53.44 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.505 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 4.9 pt20 -39.45 -40.04 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.732 ' HB3' HG22 ' A' ' 41' ' ' VAL . 16.2 mtmt -63.64 -54.77 30.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' HA ' HG21 ' A' ' 41' ' ' VAL . 26.2 tp -55.47 -56.29 21.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' CYS . 16.3 m-70 -57.9 -59.84 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 109.634 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 48.5 t -41.28 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.06 -64.73 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 33' ' ' PHE . 6.8 t80 -41.47 -30.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 21' ' ' CYS . . . -83.56 -56.22 3.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.2 t -55.25 -54.8 38.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.771 HD22 ' OE1' ' A' ' 36' ' ' GLU . 7.7 mt -79.39 140.6 56.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 26' ' ' LEU . 18.1 Cg_endo -75.03 157.67 42.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -93.59 -1.66 55.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -84.69 -6.61 59.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.599 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -76.76 162.53 70.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -76.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.506 1.792 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.11 50.04 3.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.721 ' O ' HG13 ' A' ' 37' ' ' VAL . 49.3 t80 -53.56 -36.61 62.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.577 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.6 m95 -68.82 -52.58 28.56 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -50.89 -33.41 23.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.771 ' OE1' HD22 ' A' ' 26' ' ' LEU . 96.3 mt-10 -71.32 -64.62 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.721 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.0 m -53.28 -25.03 9.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -73.83 -24.17 59.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -60.3 -55.55 32.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.93 -33.45 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG22 ' HB3' ' A' ' 18' ' ' LYS . 84.6 t -85.44 9.18 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.561 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.03 -42.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.67 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -37.94 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 109.97 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.3 mmt180 -130.95 -176.45 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.31 162.56 24.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.504 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.95 -26.37 11.08 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.35 -22.74 57.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.68 -33.9 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.462 ' HB3' HD13 ' A' ' 19' ' ' LEU . 82.1 m -55.41 -27.25 46.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 108.318 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.577 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 11.9 tt0 -78.29 -49.39 13.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -51.84 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -57.88 8.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -54.41 -50.38 67.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.1 mtp -45.51 -44.02 12.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -65.11 -48.02 75.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -121.82 77.5 39.33 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -51.63 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 179.22 94.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.74 -64.25 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.59 134.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.766 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -158.36 -123.44 0.73 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 90.3 p -148.98 145.67 27.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.34 169.66 2.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.7 67.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -162.77 97.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.581 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.6 m -131.73 142.91 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.22 155.04 30.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.46 167.87 28.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.2 97.29 0.33 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 168.45 24.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.8 m -115.57 -59.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.5 p -143.66 169.21 18.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.12 . . . . 0.0 110.989 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.89 105.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.47 109.28 19.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.991 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.32 115.77 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.1 160.35 18.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 110.02 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.5 106.7 17.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.79 -83.93 0.21 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.7 144.09 46.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.33 130.37 42.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -102.13 167.87 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.407 ' HA ' ' OE1' ' A' ' 15' ' ' GLU . 16.1 m0 -89.46 168.7 11.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.065 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 3.8 p30 -114.77 168.08 10.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' GLN . 2.7 tt0 -41.7 -58.64 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' N ' ' OD1' ' A' ' 12' ' ' ASN . 27.2 mttt -42.94 -50.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' A' ' 11' ' ' TRP . 35.6 mt-10 -65.52 -52.82 49.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.3 mm? -53.18 -66.96 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.6 pt20 -43.23 -37.39 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.502 ' HB3' HG22 ' A' ' 41' ' ' VAL . 8.6 mtmm -69.65 -42.95 73.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.53 ' HA ' HG21 ' A' ' 41' ' ' VAL . 35.8 tp -64.27 -50.06 69.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 24' ' ' ALA . 13.1 m-70 -66.66 -56.42 10.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.606 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 49.0 t -44.0 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.0 -54.41 6.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.536 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 4.3 t80 -51.76 -30.55 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -85.66 -56.17 3.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -51.99 62.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.991 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.707 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.3 mt -78.39 151.29 77.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 147.54 33.85 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.443 1.759 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.536 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.72 -0.91 57.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -99.93 17.58 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 1.5 mttm -93.7 162.88 26.05 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -70.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.5 46.48 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.672 ' O ' HG13 ' A' ' 37' ' ' VAL . 47.0 t80 -52.0 -40.82 61.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 0.797 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.582 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 28.2 m95 -63.46 -48.87 75.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -54.18 -32.51 55.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.707 ' HB3' HD13 ' A' ' 26' ' ' LEU . 59.3 mt-10 -73.63 -63.17 1.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.672 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.9 m -53.41 -23.94 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' GLY . . . -74.86 -24.0 58.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.2 -55.44 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.72 -32.15 59.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.667 ' O ' ' N ' ' A' ' 43' ' ' SER . 86.1 t -86.8 9.23 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.15 -42.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.667 ' N ' ' O ' ' A' ' 41' ' ' VAL . 41.0 m -38.71 -28.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.0 mmt180 -131.68 -176.46 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.99 163.67 21.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.494 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.96 -30.83 6.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -70.41 -23.11 62.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -85.56 -34.43 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.487 ' HB2' ' CE3' ' A' ' 34' ' ' TRP . 64.3 m -54.06 -29.67 45.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 108.337 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.582 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.8 OUTLIER -76.03 -50.45 14.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -48.87 78.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.098 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -58.23 8.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -54.88 -51.03 67.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.7 mtp -43.65 -45.47 6.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -65.69 -47.26 76.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -122.55 77.27 46.27 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -52.97 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.69 -60.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.44 67.44 0.22 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 173.47 8.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -131.88 -159.48 9.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 m -130.24 -58.58 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.14 134.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.87 146.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.81 87.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.578 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.22 147.58 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 t -130.53 154.4 47.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -140.6 -65.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 109.97 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.95 156.76 49.58 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 77.17 3.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.79 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.31 164.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.989 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -80.86 104.01 11.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.49 -58.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.025 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -121.71 91.5 3.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.54 -135.77 12.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.549 1.155 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m 61.47 87.65 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 0.734 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 m -137.37 93.79 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.3 87.03 1.96 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -63.93 160.9 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 0.745 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.12 60.62 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -159.79 165.79 31.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.493 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 14.6 m0 -89.1 160.21 17.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.005 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 15' ' ' GLU . 53.0 p30 -111.17 155.83 22.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -42.64 -27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' N ' ' C ' ' A' ' 12' ' ' ASN . 10.2 mttt -62.49 -47.27 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.0 mm-40 -75.17 -55.91 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 11' ' ' TRP . 4.1 mm? -39.84 -67.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 22.3 pt20 -45.94 -41.37 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.707 ' HB3' HG22 ' A' ' 41' ' ' VAL . 9.0 mtmm -64.9 -50.1 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 49' ' ' CYS . 34.5 tp -57.03 -55.36 35.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -61.35 -57.84 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.62 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 53.7 t -44.56 -70.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -43.95 -55.74 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 3.7 t80 -50.26 -31.35 13.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -84.5 -55.99 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.28 -54.32 37.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.986 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.006 HD22 ' OE1' ' A' ' 36' ' ' GLU . 12.1 mt -79.85 147.05 65.55 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -75.02 153.19 41.48 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.469 1.773 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.84 -12.77 30.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 13.5 p80 -76.85 -12.12 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.558 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -67.77 158.99 81.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -70.19 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.58 49.73 4.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.517 1.136 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.611 ' O ' HG13 ' A' ' 37' ' ' VAL . 40.7 t80 -53.04 -47.82 68.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.568 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.5 m95 -59.49 -46.85 87.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 107.992 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.19 -35.58 67.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.006 ' OE1' HD22 ' A' ' 26' ' ' LEU . 38.4 mt-10 -71.91 -62.97 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.628 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.36 -23.88 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.68 -24.2 58.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.14 -56.22 24.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.85 -28.79 60.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.707 HG22 ' HB3' ' A' ' 18' ' ' LYS . 83.8 t -89.38 8.99 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.2 -42.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.668 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.15 -28.56 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 0.784 . . . . 0.0 110.027 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.0 mmt180 -132.88 -176.16 4.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.35 163.88 20.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.03 -28.31 9.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -72.66 -23.13 60.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.03 -36.3 19.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB3' HD13 ' A' ' 19' ' ' LEU . 69.6 m -53.05 -26.68 16.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.295 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.568 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 1.0 OUTLIER -78.77 -56.33 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -55.04 13.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -52.19 -67.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -38.94 -58.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.4 mmm -53.03 -42.79 66.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.85 -46.58 81.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -125.24 76.67 68.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -57.99 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.92 156.97 44.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.74 137.59 13.97 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 -63.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 0.794 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -112.15 76.66 0.23 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.75 145.93 27.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.744 . . . . 0.0 109.995 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.97 115.43 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.25 142.85 50.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -146.94 162.29 39.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.583 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.2 t 60.95 82.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 80.9 m -150.11 -61.41 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.76 147.96 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 109.3 159.46 18.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 160.68 40.01 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.45 1.763 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 26.4 t -109.09 100.76 9.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.7 t -150.12 139.31 21.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.443 1.089 . . . . 0.0 111.014 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m 46.84 79.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -135.11 167.06 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.46 99.86 0.97 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.14 149.82 27.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -154.66 129.99 9.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.02 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.74 -144.84 6.93 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.512 1.132 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 56.54 -172.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 12.03 25.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -107.01 171.67 7.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' CG ' ' HE3' ' A' ' 52' ' ' LYS . 26.8 m0 -94.12 -177.51 4.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.442 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 46.4 p30 -124.65 153.93 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -37.56 -47.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -49.6 -51.13 39.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' OE2' ' ND2' ' A' ' 12' ' ' ASN . 9.8 mt-10 -63.95 -59.9 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -41.74 -70.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 12.1 pt20 -44.95 -37.78 4.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HB3' HG22 ' A' ' 41' ' ' VAL . 4.6 mtmm -67.59 -39.53 84.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.636 ' HA ' HG21 ' A' ' 41' ' ' VAL . 32.5 tp -70.23 -53.37 17.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -61.32 -52.15 65.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.7 t -46.31 -70.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -47.63 -51.69 20.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.092 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -51.61 -31.0 23.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.52 -55.18 3.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -53.38 51.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.978 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.748 HD13 ' HB3' ' A' ' 36' ' ' GLU . 5.9 mt -79.51 145.26 63.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.79 41.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.461 1.769 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.97 -1.02 57.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -89.96 -4.16 57.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 12.8 mttm -76.09 161.61 74.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -72.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.85 49.49 4.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.705 ' O ' HG13 ' A' ' 37' ' ' VAL . 46.4 t80 -51.7 -42.6 62.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 25.7 m95 -62.2 -54.57 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 108.05 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 p -49.87 -32.17 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.748 ' HB3' HD13 ' A' ' 26' ' ' LEU . 60.1 mt-10 -73.83 -64.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 33' ' ' PHE . 2.6 m -53.71 -24.75 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.511 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.74 -23.02 58.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -61.36 -55.96 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.39 -27.04 58.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.0 t -91.61 9.36 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -21.93 -42.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.673 ' N ' ' O ' ' A' ' 41' ' ' VAL . 11.2 t -38.71 -28.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.782 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 42' ' ' GLY . 11.3 mmt180 -131.38 -175.77 3.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.81 162.41 23.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.511 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 -24.35 12.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -76.35 -21.6 55.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -86.75 -36.05 18.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 85.9 m -53.11 -29.5 31.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 108.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 10.4 tt0 -76.67 -47.67 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -66.79 -48.47 68.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -59.24 -65.64 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.459 ' CB ' ' O ' ' A' ' 49' ' ' CYS . 32.0 t80 -45.23 -53.65 8.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.5 mmm -41.63 -42.45 2.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.59 -47.34 86.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -124.25 76.36 60.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.69 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -86.22 91.48 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.22 -120.85 1.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.088 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -144.65 111.58 5.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.88 -176.29 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 t -179.15 124.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 0.774 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -93.44 121.99 35.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -171.97 99.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.403 ' C ' ' CG2' ' A' ' 66' ' ' VAL . 23.4 m170 -86.35 -61.93 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' CG2' ' C ' ' A' ' 65' ' ' HIS . 2.8 m 40.19 55.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 m -70.14 -66.27 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.57 140.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.65 95.34 0.1 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -57.04 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.59 145.96 2.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.08 -58.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 110.976 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.09 82.09 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m 53.54 81.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.97 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.94 161.85 8.9 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -74.97 162.24 28.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.76 156.39 42.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.61 -97.98 0.29 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -54.9 149.99 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' CE ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -105.08 132.81 50.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' O ' ' CE ' ' A' ' 9' ' ' LYS . 4.6 pt-20 -39.19 158.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 20.7 m0 -86.28 173.35 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 108.004 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.1 p30 -119.3 159.44 24.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -46.84 -24.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -47.96 77.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -77.73 -54.7 6.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.415 HD11 ' HZ1' ' A' ' 52' ' ' LYS . 3.8 mm? -40.71 -66.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 21.3 pt20 -45.82 -41.01 10.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.647 ' HB3' HG22 ' A' ' 41' ' ' VAL . 23.9 mtmt -66.09 -51.65 56.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 49' ' ' CYS . 26.7 tp -55.34 -56.47 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 24' ' ' ALA . 14.3 m-70 -59.28 -59.34 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.567 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 51.8 t -43.56 -70.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 108.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.594 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -44.84 -56.39 4.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.537 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 6.3 t80 -49.2 -32.8 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -83.25 -56.07 3.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.81 -54.49 33.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.012 HD22 ' OE1' ' A' ' 36' ' ' GLU . 12.2 mt -81.2 144.1 53.63 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HB2' ' ND1' ' A' ' 29' ' ' HIS . 18.4 Cg_endo -74.99 155.93 42.99 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.79 -12.76 30.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.406 ' ND1' ' HB2' ' A' ' 27' ' ' PRO . 12.0 p-80 -75.04 -8.91 57.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -72.09 160.5 82.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -74.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.969 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.22 50.83 4.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.634 ' O ' HG13 ' A' ' 37' ' ' VAL . 45.2 t80 -52.13 -45.17 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.563 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -61.88 -47.93 82.8 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -55.02 -35.22 64.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.012 ' OE1' HD22 ' A' ' 26' ' ' LEU . 35.3 mt-10 -72.03 -63.86 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.2 m -53.04 -23.75 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.58 -25.51 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -58.53 -56.3 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.29 -31.93 62.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' ' N ' ' A' ' 43' ' ' SER . 72.4 t -85.91 9.03 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.28 -42.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.666 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.27 -28.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.973 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.9 mmt180 -133.25 -176.44 4.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -94.63 163.79 21.62 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.1 Cg_endo -75.05 -27.56 9.84 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.434 1.755 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.42 -22.89 60.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 42.0 mt-10 -85.95 -35.25 20.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.4 m -54.35 -27.57 36.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 108.315 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.563 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 18.2 tt0 -78.98 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -44.89 -43.0 8.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -63.04 -62.54 1.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 17.1 t80 -48.43 -50.11 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 73.4 mtp -46.32 -48.31 18.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.8 -48.53 76.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -123.61 76.74 55.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -55.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.533 1.807 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -104.34 162.96 12.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.9 91.49 1.0 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -110.66 161.08 16.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.57 117.72 2.35 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -109.49 79.29 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.96 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -160.06 132.46 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.76 144.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -82.4 -60.15 2.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.591 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.2 t 62.42 93.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -138.28 126.75 23.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.5 p -136.62 143.41 43.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.8 68.94 1.44 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.71 18.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.79 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.12 -83.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.967 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -53.75 51.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.2 p -98.88 151.36 20.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.86 149.41 35.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.5 89.41 1.32 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t 65.96 84.31 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.06 118.94 34.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.16 -117.99 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 57.61 95.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.743 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 13.23 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -52.5 172.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.8 m0 -94.24 151.71 19.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 108.036 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 36.4 p30 -98.18 150.89 21.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -38.27 -30.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 mtmt -61.21 -56.72 17.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.518 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.8 mm-40 -62.31 -45.08 94.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.14 -69.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.0 pt20 -47.08 -35.78 7.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.696 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.8 mtmm -66.67 -51.19 58.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 49' ' ' CYS . 20.6 tp -58.98 -53.82 54.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -59.74 -54.81 41.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.579 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 41.3 t -47.2 -70.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.26 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.57 -53.13 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t80 -51.62 -31.26 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.04 -55.51 3.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.94 -51.33 61.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.992 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD13 ' HB3' ' A' ' 36' ' ' GLU . 6.1 mt -82.31 147.08 55.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 151.41 39.91 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.466 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.85 -1.7 56.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -94.53 12.51 27.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -91.38 165.38 21.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.52 1.8 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -80.34 51.02 4.11 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.701 ' O ' HG13 ' A' ' 37' ' ' VAL . 51.6 t80 -52.96 -36.59 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 0.781 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.572 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 27.3 m95 -67.97 -48.35 66.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -54.49 -34.97 62.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.017 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.695 ' HB3' HD13 ' A' ' 26' ' ' LEU . 67.6 mt-10 -71.3 -64.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG13 ' O ' ' A' ' 33' ' ' PHE . 3.5 m -53.48 -23.96 8.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -74.53 -23.23 58.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.63 -56.14 23.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -75.19 -23.83 57.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.696 HG22 ' HB3' ' A' ' 18' ' ' LYS . 75.7 t -94.88 8.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.49 -42.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -39.57 -28.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.1 mmt180 -132.64 -176.29 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.41 162.36 24.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 -28.92 8.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -71.86 -22.63 61.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -86.6 -35.1 19.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.52 ' HB3' HD13 ' A' ' 19' ' ' LEU . 64.9 m -53.79 -27.19 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.572 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.0 OUTLIER -78.4 -54.58 6.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' N ' HE21 ' A' ' 50' ' ' GLN . 2.7 mtp180 -55.86 -40.85 73.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.447 ' CE ' ' HB2' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -63.01 -61.27 2.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -47.86 -46.05 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.107 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.1 mtt -53.18 -51.79 60.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -57.85 -47.96 81.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -120.75 78.31 30.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -53.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.97 -58.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.97 -109.38 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -124.91 -63.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.45 130.96 0.78 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.565 1.166 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.05 106.96 3.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -159.33 110.46 2.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -171.64 103.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.79 158.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.614 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.3 t 51.92 90.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.3 m -146.14 133.69 20.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.66 -52.66 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -165.54 97.1 0.14 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 78.83 2.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.1 p -170.04 -67.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 93.2 p -39.85 -55.32 2.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m 64.15 112.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -57.52 131.84 51.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.43 164.18 28.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -67.61 101.48 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.65 -73.36 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.12 89.68 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.509 1.131 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.84 87.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -119.17 75.73 1.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -164.33 170.41 16.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 15.6 m0 -90.39 167.97 12.23 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.18 157.06 18.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.0 -19.73 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mtmt -72.71 -41.78 64.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 3.2 mm-40 -74.15 -57.71 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -40.18 -65.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 19.7 pt20 -46.21 -39.77 10.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.683 ' HB3' HG22 ' A' ' 41' ' ' VAL . 7.5 mtmt -67.79 -50.98 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' A' ' 41' ' ' VAL . 18.0 tp -55.48 -55.39 32.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -61.1 -56.74 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 42.3 t -45.89 -70.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.333 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -45.17 -54.53 6.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.526 ' CZ ' ' OH ' ' A' ' 53' ' ' TYR . 13.4 t80 -50.67 -31.37 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.36 -55.76 3.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -55.18 27.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.692 HD13 ' HB3' ' A' ' 36' ' ' GLU . 10.0 mt -75.17 150.11 85.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.2 Cg_endo -75.02 146.52 32.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -92.6 -1.08 57.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -100.84 18.93 18.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.579 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -95.02 167.38 13.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -75.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.522 1.801 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -82.79 48.37 3.99 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.587 ' O ' HG13 ' A' ' 37' ' ' VAL . 40.1 t80 -49.64 -44.6 47.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.576 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 23.7 m95 -60.03 -49.36 77.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 p -53.6 -35.94 61.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.692 ' HB3' HD13 ' A' ' 26' ' ' LEU . 51.2 mt-10 -70.3 -63.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.68 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 2.9 m -53.65 -24.42 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.08 -22.43 58.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 36' ' ' GLU . . . -61.91 -55.88 25.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' O ' ' CD ' ' A' ' 18' ' ' LYS . . . -74.95 -26.19 59.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 18' ' ' LYS . 92.9 t -93.03 8.95 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.548 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.17 -42.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.663 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -38.9 -28.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 0.79 . . . . 0.0 110.019 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' GLY . 9.7 mmt180 -131.8 -176.52 4.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.4 ' OG ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -95.1 162.79 23.73 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.99 -25.38 11.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.031 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -75.25 -21.65 58.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.259 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' CD ' ' OG ' ' A' ' 45' ' ' SER . 53.0 mt-10 -86.31 -35.22 20.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB3' ' CD1' ' A' ' 19' ' ' LEU . 85.5 m -53.63 -29.58 38.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 108.323 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.576 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 0.3 OUTLIER -76.08 -55.89 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.334 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.83 -45.84 64.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -62.84 1.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.526 ' OH ' ' CZ ' ' A' ' 23' ' ' PHE . 21.4 t80 -45.85 -48.97 15.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.6 mtt -50.46 -38.88 46.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -74.06 -46.95 39.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -124.5 76.1 62.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -56.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -171.73 94.24 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.53 -123.39 2.25 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.18 -64.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.92 -63.27 0.29 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.51 131.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -171.74 164.69 6.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.325 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.98 133.4 3.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -168.69 151.61 5.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.602 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.73 90.53 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.0 t -165.82 139.52 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.392 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.0 151.12 45.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.82 87.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.3 p -173.02 -58.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.958 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 m -113.01 167.62 10.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.65 89.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 110.019 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -69.9 -57.56 4.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.43 -152.31 0.82 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.422 ' OG ' ' N ' ' A' ' 6' ' ' SER . 2.3 p -93.27 -59.79 1.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 0.749 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.422 ' N ' ' OG ' ' A' ' 5' ' ' SER . 33.7 t -159.55 126.72 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.63 57.11 8.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.04 127.68 46.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 103.72 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.315 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -178.09 149.67 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.293 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -107.96 163.05 13.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 13' ' ' GLU . 20.6 p30 -97.05 152.53 18.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 12' ' ' ASN . 1.9 mp0 -37.05 -41.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLN . 11.9 mttp -53.93 -71.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.45 ' OE1' ' CB ' ' A' ' 43' ' ' SER . 5.0 mm-40 -47.14 -36.05 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.254 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.8 mm? -61.97 -69.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 21' ' ' CYS . 7.5 pt20 -44.04 -33.4 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.644 ' CB ' HG22 ' A' ' 41' ' ' VAL . 7.8 mttp -66.64 -56.88 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.526 HD13 ' HB3' ' A' ' 49' ' ' CYS . 26.2 tp -54.09 -50.91 65.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -61.88 -58.59 7.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.552 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 50.3 t -46.14 -70.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 108.297 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 37' ' ' VAL . . . -44.42 -54.47 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.554 ' CE1' ' HE2' ' A' ' 28' ' ' LYS . 34.2 t80 -52.15 -28.75 19.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' CYS . . . -87.0 -55.88 3.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.0 m -55.31 -52.71 62.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 36' ' ' GLU . 4.3 mt -81.41 148.33 62.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.469 ' O ' ' CD1' ' A' ' 33' ' ' PHE . 18.1 Cg_endo -75.01 153.11 41.49 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HE2' ' CE1' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -92.88 -1.08 57.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -101.47 18.05 21.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.626 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' HG2' ' CD ' ' A' ' 31' ' ' PRO . 1.9 mttm -91.48 167.34 15.84 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.427 ' CD ' ' HG2' ' A' ' 30' ' ' LYS . 18.3 Cg_endo -75.01 -79.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.37 49.06 3.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CZ ' ' HG3' ' A' ' 28' ' ' LYS . 53.8 t80 -51.27 -39.8 57.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.573 ' CZ2' ' HA ' ' A' ' 50' ' ' GLN . 24.8 m95 -66.73 -46.21 76.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 p -56.45 -34.23 66.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.043 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.682 ' HB3' HD13 ' A' ' 26' ' ' LEU . 54.5 mt-10 -71.85 -64.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.61 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 7.1 m -53.48 -23.26 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB2' ' HB3' ' A' ' 46' ' ' PRO . . . -75.13 -22.85 57.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.95 -56.4 19.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.86 -23.57 58.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.656 ' O ' ' N ' ' A' ' 43' ' ' SER . 88.7 t -95.29 8.68 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 41' ' ' VAL . . . -22.16 -42.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 110.966 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.656 ' N ' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -39.16 -28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.9 mmt180 -132.1 -176.16 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.46 162.91 22.93 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -74.97 -27.71 9.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -72.47 -23.39 61.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -85.68 -34.08 21.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.526 ' HB3' HD13 ' A' ' 19' ' ' LEU . 61.3 m -54.73 -27.91 44.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.573 ' HA ' ' CZ2' ' A' ' 34' ' ' TRP . 46.2 tt0 -77.17 -51.39 11.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -44.38 83.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -61.31 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -53.95 -46.65 71.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 10.9 mtp -47.33 -44.81 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.25 -49.04 59.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -122.41 77.19 44.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.473 1.775 . . . . 0.0 111.044 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.49 166.72 14.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -45.61 104.14 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 tttm 76.97 -67.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 41.33 69.87 0.48 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.48 164.82 38.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 65.22 79.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.73 79.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -134.74 157.37 46.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 p -120.73 129.08 76.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 t -175.95 137.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 m -176.03 100.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.05 94.77 0.1 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -42.55 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.5 t 70.06 -68.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.1 t -137.56 143.01 41.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -180.0 . . . . . . . . 0 0 . 1 stop_ save_